Smit-Beljers

This module contains the basic implementation of the Smit-Beljers model. The model is based on the following paper which introduced a corrected model: Rodríguez-Suárez et al., "Ferromagnetic resonance investigation of the residual coupling in spin-valve systems" 10.1103/PhysRevB.71.224406

LayerDynamic dataclass

Bases: LayerSB

Source code in cmtj/models/general_sb.py

@dataclass
class LayerDynamic(LayerSB):
    alpha: float = 0.01
    torque_par: float = 0
    torque_perp: float = 0

    @staticmethod
    def get_hoe_ex_symbol():
        return sym.Symbol(r"H_{oe}")

    @staticmethod
    def get_Vp_symbol():
        return sym.Symbol(r"V_{p}")

    def rhs_spherical_llg(
        self,
        U: sym.Matrix,
        osc: bool = False,
    ):
        """Returns the symbolic expression for the RHS of the spherical LLG equation.
        Coupling contribution comes only from the bottom layer (top-down crawl)

        :param H: external field
        :param U: energy expression of the layer
        """
        # sum all components
        prefac = gamma_rad / (1.0 + self.alpha**2)
        inv_sin = 1.0 / (sym.sin(self.theta) + EPS)
        dUdtheta = sym.diff(U, self.theta)
        dUdphi = sym.diff(U, self.phi)

        # Hoe can be used only for excitation, unlike Vp which controls torquances
        Hoe = LayerDynamic.get_hoe_ex_symbol() if osc else 0
        dtheta = -inv_sin * dUdphi - self.alpha * dUdtheta + self.Ms * Hoe
        dphi = inv_sin * dUdtheta - self.alpha * dUdphi * (inv_sin) ** 2 + self.alpha * self.Ms * Hoe * inv_sin
        return prefac * (sym.Matrix([dtheta, dphi]) + self.torque(osc=osc)) / self.Ms

    def torque(self, osc: bool = True):
        # cannot be 0 because you may want to use Hoe + torques
        Vp = LayerDynamic.get_Vp_symbol() if osc else 1
        torque_ex_par = self.torque_par * Vp
        torque_ex_perp = self.torque_perp * Vp

        return sym.ImmutableMatrix(
            [
                sym.sin(self.theta) * (-torque_ex_par - self.alpha * torque_ex_perp),
                -torque_ex_perp + self.alpha * torque_ex_par,
            ]
        )

    def __eq__(self, __value: "LayerDynamic") -> bool:
        return super().__eq__(__value) and self.alpha == __value.alpha

    def __hash__(self) -> int:
        return super().__hash__()

rhs_spherical_llg(U, osc=False)

Returns the symbolic expression for the RHS of the spherical LLG equation. Coupling contribution comes only from the bottom layer (top-down crawl)

Parameters:

Name	Type	Description	Default
H		external field	required
U	sym.Matrix	energy expression of the layer	required

Source code in cmtj/models/general_sb.py

def rhs_spherical_llg(
    self,
    U: sym.Matrix,
    osc: bool = False,
):
    """Returns the symbolic expression for the RHS of the spherical LLG equation.
    Coupling contribution comes only from the bottom layer (top-down crawl)

    :param H: external field
    :param U: energy expression of the layer
    """
    # sum all components
    prefac = gamma_rad / (1.0 + self.alpha**2)
    inv_sin = 1.0 / (sym.sin(self.theta) + EPS)
    dUdtheta = sym.diff(U, self.theta)
    dUdphi = sym.diff(U, self.phi)

    # Hoe can be used only for excitation, unlike Vp which controls torquances
    Hoe = LayerDynamic.get_hoe_ex_symbol() if osc else 0
    dtheta = -inv_sin * dUdphi - self.alpha * dUdtheta + self.Ms * Hoe
    dphi = inv_sin * dUdtheta - self.alpha * dUdphi * (inv_sin) ** 2 + self.alpha * self.Ms * Hoe * inv_sin
    return prefac * (sym.Matrix([dtheta, dphi]) + self.torque(osc=osc)) / self.Ms

LayerSB dataclass

Basic Layer for Smit-Beljers model.

Parameters:

Name	Type	Description	Default
thickness	float	thickness of the FM layer (effective).	required
Kv	VectorObj	volumetric (in-plane) anisotropy. Only phi and mag count [J/m^3].	required
Ks	float	surface anisotropy (out-of plane, or perpendicular) value [J/m^3].	required
Ms	float	magnetisation saturation value in [A/m].	required
Hdmi	VectorObj	DMI field in the layer. Defaults to [0, 0, 0].	None
Ndemag	VectorObj	demagnetisation tensor diagonal. Defaults to [0, 0, 1] (thin film). for sphere, use [1/3, 1/3, 1/3].	VectorObj.from_cartesian(0, 0, 1)

Source code in cmtj/models/general_sb.py

@dataclass
class LayerSB:
    """Basic Layer for Smit-Beljers model.
    :param thickness: thickness of the FM layer (effective).
    :param Kv: volumetric (in-plane) anisotropy. Only phi and mag count [J/m^3].
    :param Ks: surface anisotropy (out-of plane, or perpendicular) value [J/m^3].
    :param Ms: magnetisation saturation value in [A/m].
    :param Hdmi: DMI field in the layer. Defaults to [0, 0, 0].
    :param Ndemag: demagnetisation tensor diagonal. Defaults to [0, 0, 1] (thin film).
                  for sphere, use [1/3, 1/3, 1/3].
    """

    _id: int
    thickness: float
    Kv: VectorObj
    Ks: float
    Ms: float
    Hdmi: VectorObj = None  # TODO: change when we support py3.10 upwards (field(kw_only=True, default=None))
    Ndemag: VectorObj = VectorObj.from_cartesian(0, 0, 1)

    def __post_init__(self):
        if self._id > 9:
            raise ValueError("Only up to 10 layers supported.")
        if self.Hdmi is None:
            self.Hdmi = sym.Matrix([0, 0, 0])
        else:
            self.Hdmi = sym.ImmutableMatrix(self.Hdmi.get_cartesian())
        self.Ndemag = sym.ImmutableMatrix(self.Ndemag.get_cartesian())

        self.theta = sym.Symbol(r"\theta_" + str(self._id))
        self.phi = sym.Symbol(r"\phi_" + str(self._id))
        self.m = sym.ImmutableMatrix(
            [
                sym.sin(self.theta) * sym.cos(self.phi),
                sym.sin(self.theta) * sym.sin(self.phi),
                sym.cos(self.theta),
            ]
        )

    def get_coord_sym(self):
        """Returns the symbolic coordinates of the layer."""
        return self.theta, self.phi

    def get_m_sym(self):
        """Returns the magnetisation vector."""
        return self.m

    @lru_cache(3)  # noqa: B019
    def total_symbolic_layer_energy(
        self,
        H: sym.ImmutableMatrix,
        J1top: float,
        J1bottom: float,
        J2top: float,
        J2bottom: float,
        top_layer: "LayerSB",
        down_layer: "LayerSB",
    ):
        """Returns the symbolic expression for the energy of the layer.
        Coupling contribution comes only from the bottom layer (top-down crawl)"""
        m = self.get_m_sym()

        eng_non_interaction = self.no_interaction_symbolic_energy(H) * self.thickness

        top_iec_energy = 0
        bottom_iec_energy = 0

        if top_layer is not None:
            other_m = top_layer.get_m_sym()
            mdot = m.dot(other_m)
            top_iec_energy = -J1top * mdot - J2top * mdot**2
        if down_layer is not None:
            other_m = down_layer.get_m_sym()
            mdot = m.dot(other_m)
            bottom_iec_energy = -J1bottom * mdot - J2bottom * mdot**2
        return eng_non_interaction + top_iec_energy + bottom_iec_energy

    def no_interaction_symbolic_energy(self, H: sym.ImmutableMatrix):
        """Returns the symbolic expression for the energy of the layer.
        Coupling contribution comes only from the bottom layer (top-down crawl)"""
        m = self.get_m_sym()

        alpha = sym.ImmutableMatrix([sym.cos(self.Kv.phi), sym.sin(self.Kv.phi), 0])

        field_energy = -mu0 * self.Ms * m.dot(H)
        hdmi_energy = -mu0 * self.Ms * m.dot(self.Hdmi)
        # old surface anisotropy only took into account the thin slab demag
        # surface_anistropy = (-self.Ks + (1.0 / 2.0) * mu0 * self.Ms**2) * (m[-1] ** 2)
        surface_anistropy = -self.Ks * (m[-1] ** 2)
        volume_anisotropy = -self.Kv.mag * (m.dot(alpha) ** 2)
        m_2 = sym.ImmutableMatrix([m_i**2 for m_i in m])
        demagnetisation_energy = 0.5 * mu0 * (self.Ms**2) * m_2.dot(self.Ndemag)

        return field_energy + surface_anistropy + volume_anisotropy + hdmi_energy + demagnetisation_energy

    def sb_correction(self):
        omega = sym.Symbol(r"\omega")
        return (omega / gamma) * self.Ms * sym.sin(self.theta) * self.thickness

    def __hash__(self) -> int:
        return hash(str(self))

    def __eq__(self, __value: "LayerSB") -> bool:
        return (
            self._id == __value._id
            and self.thickness == __value.thickness
            and self.Kv == __value.Kv
            and self.Ks == __value.Ks
            and self.Ms == __value.Ms
        )

get_coord_sym()

Returns the symbolic coordinates of the layer.

Source code in cmtj/models/general_sb.py

def get_coord_sym(self):
    """Returns the symbolic coordinates of the layer."""
    return self.theta, self.phi

get_m_sym()

Returns the magnetisation vector.

Source code in cmtj/models/general_sb.py

def get_m_sym(self):
    """Returns the magnetisation vector."""
    return self.m

no_interaction_symbolic_energy(H)

Returns the symbolic expression for the energy of the layer. Coupling contribution comes only from the bottom layer (top-down crawl)

Source code in cmtj/models/general_sb.py

def no_interaction_symbolic_energy(self, H: sym.ImmutableMatrix):
    """Returns the symbolic expression for the energy of the layer.
    Coupling contribution comes only from the bottom layer (top-down crawl)"""
    m = self.get_m_sym()

    alpha = sym.ImmutableMatrix([sym.cos(self.Kv.phi), sym.sin(self.Kv.phi), 0])

    field_energy = -mu0 * self.Ms * m.dot(H)
    hdmi_energy = -mu0 * self.Ms * m.dot(self.Hdmi)
    # old surface anisotropy only took into account the thin slab demag
    # surface_anistropy = (-self.Ks + (1.0 / 2.0) * mu0 * self.Ms**2) * (m[-1] ** 2)
    surface_anistropy = -self.Ks * (m[-1] ** 2)
    volume_anisotropy = -self.Kv.mag * (m.dot(alpha) ** 2)
    m_2 = sym.ImmutableMatrix([m_i**2 for m_i in m])
    demagnetisation_energy = 0.5 * mu0 * (self.Ms**2) * m_2.dot(self.Ndemag)

    return field_energy + surface_anistropy + volume_anisotropy + hdmi_energy + demagnetisation_energy

total_symbolic_layer_energy(H, J1top, J1bottom, J2top, J2bottom, top_layer, down_layer) cached

Returns the symbolic expression for the energy of the layer. Coupling contribution comes only from the bottom layer (top-down crawl)

Source code in cmtj/models/general_sb.py

@lru_cache(3)  # noqa: B019
def total_symbolic_layer_energy(
    self,
    H: sym.ImmutableMatrix,
    J1top: float,
    J1bottom: float,
    J2top: float,
    J2bottom: float,
    top_layer: "LayerSB",
    down_layer: "LayerSB",
):
    """Returns the symbolic expression for the energy of the layer.
    Coupling contribution comes only from the bottom layer (top-down crawl)"""
    m = self.get_m_sym()

    eng_non_interaction = self.no_interaction_symbolic_energy(H) * self.thickness

    top_iec_energy = 0
    bottom_iec_energy = 0

    if top_layer is not None:
        other_m = top_layer.get_m_sym()
        mdot = m.dot(other_m)
        top_iec_energy = -J1top * mdot - J2top * mdot**2
    if down_layer is not None:
        other_m = down_layer.get_m_sym()
        mdot = m.dot(other_m)
        bottom_iec_energy = -J1bottom * mdot - J2bottom * mdot**2
    return eng_non_interaction + top_iec_energy + bottom_iec_energy

Solver dataclass

General solver for the system.

Parameters:

Name	Type	Description	Default
layers	list[Union[LayerSB, LayerDynamic]]	list of layers in the system.	required
J1	list[float]	list of interlayer exchange constants. Goes (i)-(i+1), i = 0, 1, 2, ... with i being the index of the layer.	required
J2	list[float]	list of interlayer exchange constants.	required
ilD	list[VectorObj]	list of interlayer DMI vectors, e.g. (0, 0, D)., ilD * (m1 x m2)	None
H	VectorObj	external field.	None
Ndipole	list[list[VectorObj]]	list of dipole fields for each layer. Defaults to None. Goes (i)-(i+1), i = 0, 1, 2, ... with i being the index of the layer.	None

Source code in cmtj/models/general_sb.py

@dataclass
class Solver:
    """General solver for the system.

    :param layers: list of layers in the system.
    :param J1: list of interlayer exchange constants. Goes (i)-(i+1), i = 0, 1, 2, ...
        with i being the index of the layer.
    :param J2: list of interlayer exchange constants.
    :param ilD: list of interlayer DMI vectors, e.g. (0, 0, D).,
        ilD * (m1 x m2)
    :param H: external field.
    :param Ndipole: list of dipole fields for each layer. Defaults to None.
        Goes (i)-(i+1), i = 0, 1, 2, ... with i being the index of the layer.
    """

    layers: list[Union[LayerSB, LayerDynamic]]
    J1: list[float]
    J2: list[float]
    H: VectorObj = None
    ilD: list[VectorObj] = None
    Ndipole: list[list[VectorObj]] = None

    def __post_init__(self):
        if len(self.layers) != len(self.J1) + 1:
            raise ValueError("Number of layers must be 1 more than J1.")
        if len(self.layers) != len(self.J2) + 1:
            raise ValueError("Number of layers must be 1 more than J2.")
        if self.ilD is None:
            # this is optional, if not provided, we assume zero DMI
            self.ilD = [VectorObj(0, 0, 0) for _ in range(len(self.layers) - 1)]
        if len(self.layers) != len(self.ilD) + 1:
            raise ValueError("Number of layers must be 1 more than ilD.")
        if not all(isinstance(d, VectorObj) for d in self.ilD):
            raise ValueError("ilD must be a list of VectorObj.")

        self.ilD = [sym.ImmutableMatrix(d.get_cartesian()) for d in self.ilD]
        self.dipoleMatrix: list[sym.Matrix] = None
        if self.Ndipole is not None:
            if len(self.layers) != len(self.Ndipole) + 1:
                raise ValueError("Number of layers must be 1 more than number of tensors.")
            self.dipoleMatrix = [sym.Matrix([d.get_cartesian() for d in dipole]) for dipole in self.Ndipole]

        id_sets = {layer._id for layer in self.layers}
        ideal_set = set(range(len(self.layers)))
        if id_sets != ideal_set:
            raise ValueError("Layer ids must be 0, 1, 2, ... and unique." "Ids must start from 0.")

    def get_layer_references(self, layer_indx: int, interaction_constant: list[float]):
        """Returns the references to the layers above and below the layer
        with index layer_indx."""
        if len(self.layers) == 1:
            return None, None, 0, 0
        if layer_indx == 0:
            return None, self.layers[layer_indx + 1], 0, interaction_constant[0]
        elif layer_indx == len(self.layers) - 1:
            return self.layers[layer_indx - 1], None, interaction_constant[-1], 0
        return (
            self.layers[layer_indx - 1],
            self.layers[layer_indx + 1],
            interaction_constant[layer_indx - 1],
            interaction_constant[layer_indx],
        )

    def compose_llg_jacobian(self, H: VectorObj):
        """Create a symbolic jacobian of the LLG equation in spherical coordinates."""
        # has order theta0, phi0, theta1, phi1, ...
        if isinstance(H, VectorObj):
            H = sym.ImmutableMatrix(H.get_cartesian())

        symbols, fns = [], []
        U = self.create_energy(H=H, volumetric=False)
        for layer in self.layers:
            symbols.extend((layer.theta, layer.phi))
            fns.append(layer.rhs_spherical_llg(U / layer.thickness, osc=False))
        jac = sym.ImmutableMatrix(fns).jacobian(symbols)
        return jac, symbols

    @lru_cache(3)  # cache for 3 calls
    def create_energy(
        self,
        H: Union[VectorObj, sym.ImmutableMatrix, None] = None,
        volumetric: bool = False,
    ):
        """Creates the symbolic energy expression.

        Due to problematic nature of coupling, there is an issue of
        computing each layer's FMR in the presence of IEC.
        If volumetric = True then we use the thickness of the layer to multiply the
        energy and hence avoid having to divide J by the thickness of a layer.
        If volumetric = False the J constant is divided by weighted thickness
        and included in every layer's energy, correcting FMR automatically.
        """
        if H is None:
            h = self.H.get_cartesian()
            H = sym.ImmutableMatrix(h)
        energy = sum(layer.no_interaction_symbolic_energy(H) * layer.thickness for layer in self.layers)

        for i in range(len(self.layers) - 1):
            l1m = self.layers[i].get_m_sym()
            l2m = self.layers[i + 1].get_m_sym()

            # IEC
            ldot = l1m.dot(l2m)
            energy -= self.J1[i] * ldot
            energy -= self.J2[i] * (ldot) ** 2

            # IDMI, sign is the same J1
            lcross = l1m.cross(l2m)
            energy -= self.ilD[i].dot(lcross)

            # dipole fields
            if self.dipoleMatrix is not None:
                mat = self.dipoleMatrix[i]
                # is positive, just like demag
                energy += (
                    (mu0 / 2.0)
                    * l1m.dot(mat * l2m)
                    * self.layers[i].Ms
                    * self.layers[i + 1].Ms
                    * self.layers[i].thickness
                )
                energy += (
                    (mu0 / 2.0)
                    * l2m.dot(mat * l1m)
                    * self.layers[i].Ms
                    * self.layers[i + 1].Ms
                    * self.layers[i + 1].thickness
                )
        return energy

    def create_energy_hessian(self, equilibrium_position: list[float]):
        """Creates the symbolic hessian of the energy expression."""
        energy = self.create_energy(volumetric=False)
        subs = self.get_subs(equilibrium_position)
        N = len(self.layers)
        hessian = [[0 for _ in range(2 * N)] for _ in range(2 * N)]
        for i in range(N):
            z = self.layers[i].sb_correction()
            theta_i, phi_i = self.layers[i].get_coord_sym()
            for j in range(i, N):
                # dtheta dtheta
                theta_j, phi_j = self.layers[j].get_coord_sym()

                expr = sym.diff(sym.diff(energy, theta_i), theta_j)
                hessian[2 * i][2 * j] = expr
                hessian[2 * j][2 * i] = expr

                # dphi dphi
                expr = sym.diff(sym.diff(energy, phi_i), phi_j)
                hessian[2 * i + 1][2 * j + 1] = expr
                hessian[2 * j + 1][2 * i + 1] = expr

                expr = sym.diff(sym.diff(energy, theta_i), phi_j)
                # mixed terms
                if i == j:
                    hessian[2 * i + 1][2 * j] = expr + sym.I * z
                    hessian[2 * i][2 * j + 1] = expr - sym.I * z
                else:
                    hessian[2 * i][2 * j + 1] = expr
                    hessian[2 * j + 1][2 * i] = expr

                    expr = sym.diff(sym.diff(energy, phi_i), theta_j)
                    hessian[2 * i + 1][2 * j] = expr
                    hessian[2 * j][2 * i + 1] = expr

        hes = sym.ImmutableMatrix(hessian)
        _, U, _ = hes.LUdecomposition()
        return U.det().subs(subs)

    def get_gradient_expr(self, accel="math"):
        """Returns the symbolic gradient of the energy expression."""
        energy = self.create_energy(volumetric=False)
        grad_vector = []
        symbols = []
        for layer in self.layers:
            (theta, phi) = layer.get_coord_sym()
            grad_vector.extend((sym.diff(energy, theta), sym.diff(energy, phi)))
            symbols.extend((theta, phi))
        return sym.lambdify(symbols, grad_vector, accel)

    def adam_gradient_descent(
        self,
        init_position: np.ndarray,
        max_steps: int,
        tol: float = 1e-8,
        learning_rate: float = 1e-4,
        first_momentum_decay: float = 0.9,
        second_momentum_decay: float = 0.999,
        perturbation: float = 1e-6,
    ):
        """
        A naive implementation of Adam gradient descent.
        See: ADAM: A METHOD FOR STOCHASTIC OPTIMIZATION, Kingma et Ba, 2015
        :param max_steps: maximum number of gradient steps.
        :param tol: tolerance of the solution.
        :param learning_rate: the learning rate (descent speed).
        :param first_momentum_decay: constant for the first momentum.
        :param second_momentum_decay: constant for the second momentum.
        """
        step = 0
        gradfn = self.get_gradient_expr()
        current_position = init_position
        if perturbation:
            current_position = perturb_position(init_position, perturbation)
        m = np.zeros_like(current_position)  # first momentum
        v = np.zeros_like(current_position)  # second momentum
        eps = 1e-12
        # history = []
        while True:
            step += 1
            grad = np.asarray(gradfn(*current_position))
            m = first_momentum_decay * m + (1.0 - first_momentum_decay) * grad
            v = second_momentum_decay * v + (1.0 - second_momentum_decay) * grad**2
            m_hat = m / (1.0 - first_momentum_decay**step)
            v_hat = v / (1.0 - second_momentum_decay**step)
            new_position = current_position - learning_rate * m_hat / (np.sqrt(v_hat) + eps)
            if step > max_steps:
                break
            if fast_norm(current_position - new_position) < tol:
                break
            current_position = new_position
            # history.append(current_position)
        # return np.asarray(current_position), np.asarray(history)
        return np.asarray(current_position)

    def amsgrad_gradient_descent(
        self,
        init_position: np.ndarray,
        max_steps: int,
        tol: float = 1e-8,
        learning_rate: float = 1e-4,
        first_momentum_decay: float = 0.9,
        second_momentum_decay: float = 0.999,
        perturbation: float = 1e-6,
    ):
        """
        A naive implementation of AMSGrad gradient descent.
        See: On the Convergence of Adam and Beyond, Reddi et al., 2018
        :param max_steps: maximum number of gradient steps.
        :param tol: tolerance of the solution.
        :param learning_rate: the learning rate (descent speed).
        :param first_momentum_decay: constant for the first momentum.
        :param second_momentum_decay: constant for the second momentum.
        """
        step = 0
        gradfn = self.get_gradient_expr()
        current_position = init_position
        if perturbation:
            current_position = perturb_position(init_position, perturbation)
        m = np.zeros_like(current_position)
        v = np.zeros_like(current_position)
        v_hat = np.zeros_like(current_position)
        eps = 1e-12
        while True:
            step += 1
            grad = np.asarray(gradfn(*current_position))
            m = first_momentum_decay * m + (1.0 - first_momentum_decay) * grad
            v = second_momentum_decay * v + (1.0 - second_momentum_decay) * grad**2
            v_hat = np.maximum(v_hat, v)
            new_position = current_position - learning_rate * m / (np.sqrt(v_hat) + eps)
            if step > max_steps:
                break
            if fast_norm(current_position - new_position) < tol:
                break
            current_position = new_position
        return np.asarray(current_position)

    def single_layer_resonance(self, layer_indx: int, eq_position: np.ndarray):
        """We can compute the equilibrium position of a single layer directly.
        :param layer_indx: the index of the layer to compute the equilibrium
        :param eq_position: the equilibrium position vector"""
        layer = self.layers[layer_indx]
        theta_eq = eq_position[2 * layer_indx]
        theta, phi = self.layers[layer_indx].get_coord_sym()
        energy = self.create_energy(volumetric=True)
        subs = self.get_subs(eq_position)
        d2Edtheta2 = sym.diff(sym.diff(energy, theta), theta).subs(subs)
        d2Edphi2 = sym.diff(sym.diff(energy, phi), phi).subs(subs)
        # mixed, assuming symmetry
        d2Edthetaphi = sym.diff(sym.diff(energy, theta), phi).subs(subs)
        vareps = 1e-18

        fmr = (d2Edtheta2 * d2Edphi2 - d2Edthetaphi**2) / np.power(np.sin(theta_eq + vareps) * layer.Ms, 2)
        fmr = np.sqrt(float(fmr)) * gamma_rad / (2 * np.pi)
        return fmr

    def solve(
        self,
        init_position: np.ndarray,
        max_steps: int = 1e9,
        learning_rate: float = 1e-4,
        adam_tol: float = 1e-8,
        first_momentum_decay: float = 0.9,
        second_momentum_decay: float = 0.999,
        perturbation: float = 1e-3,
        ftol: float = 0.01e9,
        max_freq: float = 80e9,
        force_single_layer: bool = False,
        force_sb: bool = False,
    ):
        """Solves the system.
        For dynamic LayerDynamic, the return is different, check :return.
        1. Computes the energy functional.
        2. Computes the gradient of the energy functional.
        3. Performs a gradient descent to find the equilibrium position.
        Returns the equilibrium position and frequencies in [GHz].
        If there's only one layer, the frequency is computed analytically.
        For full analytical solution, see: `analytical_field_scan`
        :param init_position: initial position for the gradient descent.
                              Must be a 1D array of size 2 * number of layers (theta, phi)
        :param max_steps: maximum number of gradient steps.
        :param learning_rate: the learning rate (descent speed).
        :param adam_tol: tolerance for the consecutive Adam minima.
        :param first_momentum_decay: constant for the first momentum.
        :param second_momentum_decay: constant for the second momentum.
        :param perturbation: the perturbation to use for the numerical gradient computation.
        :param ftol: tolerance for the frequency search. [numerical only]
        :param max_freq: maximum frequency to search for. [numerical only]
        :param force_single_layer: whether to force the computation of the frequencies
                                   for each layer individually.
        :param force_sb: whether to force the computation of the frequencies.
                        Takes effect only if the layers are LayerDynamic, not LayerSB.
        :return: equilibrium position and frequencies in [GHz] (and eigenvectors if LayerDynamic instead of LayerSB).
        """
        if self.H is None:
            raise ValueError("H must be set before solving the system numerically.")
        assert len(init_position) == 2 * len(
            self.layers
        ), f"Incorrect initial position size. Given: {len(init_position)}, expected: {2 * len(self.layers)}"
        eq = self.adam_gradient_descent(
            init_position=init_position,
            max_steps=max_steps,
            tol=adam_tol,
            learning_rate=learning_rate,
            first_momentum_decay=first_momentum_decay,
            second_momentum_decay=second_momentum_decay,
            perturbation=perturbation,
        )
        if not force_sb and isinstance(self.layers[0], LayerDynamic):
            eigenvalues, eigenvectors = self.dynamic_layer_solve(eq)
            return eq, eigenvalues / 1e9, eigenvectors
        N = len(self.layers)
        if N == 1:
            return eq, [self.single_layer_resonance(0, eq) / 1e9]
        if force_single_layer:
            frequencies = []
            for indx in range(N):
                frequency = self.single_layer_resonance(indx, eq) / 1e9
                frequencies.append(frequency)
            return eq, frequencies
        return self.num_solve(eq, ftol=ftol, max_freq=max_freq)

    def dynamic_layer_solve(self, eq: list[float]):
        """Return the FMR frequencies and modes for N layers using the
        dynamic RHS model
        :param eq: the equilibrium position of the system.
        :return: frequencies and eigenmode vectors."""
        jac, symbols = self.compose_llg_jacobian(self.H)
        subs = {symbols[i]: eq[i] for i in range(len(eq))}
        jac = jac.subs(subs)
        jac = np.asarray(jac, dtype=np.float32)
        eigvals, eigvecs = np.linalg.eig(jac)
        eigvals_im = np.imag(eigvals) / (2 * np.pi)
        indx = np.argwhere(eigvals_im > 0).ravel()
        return eigvals_im[indx], eigvecs[indx]

    def num_solve(self, eq: list[float], ftol: float = 0.01e9, max_freq: float = 80e9):
        hes = self.create_energy_hessian(eq)
        omega = sym.Symbol(r"\omega")
        if len(self.layers) <= 3:
            y = real_deocrator(njit(sym.lambdify(omega, hes, "math")))
        else:
            y = real_deocrator(sym.lambdify(omega, hes, "math"))
        r = RootFinder(0, max_freq, step=ftol, xtol=1e-8, root_dtype="float16")
        roots = r.find(y)
        # convert to GHz
        # reduce unique solutions to 2 decimal places
        # don't divide by 2pi, we used gamma instead of gamma / 2pi
        f = np.unique(np.around(roots / 1e9, 2))
        return eq, f

    def analytical_roots(self):
        """Find & cache the analytical roots of the system.
        Returns a list of solutions.
        Ineffecient for more than 2 layers (can try though).
        """
        Hsym = sym.Matrix(
            [
                sym.Symbol(r"H_{x}"),
                sym.Symbol(r"H_{y}"),
                sym.Symbol(r"H_{z}"),
            ]
        )
        N = len(self.layers)
        if N > 2:
            warnings.warn(
                "Analytical solutions for over 2 layers may be computationally expensive.",
                stacklevel=2,
            )
        system_energy = self.create_energy(H=Hsym, volumetric=False)
        root_expr, energy_functional_expr = find_analytical_roots(N)
        subs = get_all_second_derivatives(energy_functional_expr, energy_expression=system_energy, subs={})
        subs.update(self.get_ms_subs())
        return [s.subs(subs) for s in root_expr]

    def get_subs(self, equilibrium_position: list[float]):
        """Returns the substitution dictionary for the energy expression."""
        subs = {}
        for i in range(len(self.layers)):
            theta, phi = self.layers[i].get_coord_sym()
            subs[theta] = equilibrium_position[2 * i]
            subs[phi] = equilibrium_position[(2 * i) + 1]
        return subs

    def get_ms_subs(self):
        """Returns a dictionary of substitutions for the Ms symbols."""
        a = {r"M_{" + str(layer._id) + "}": layer.Ms for layer in self.layers}
        b = {r"t_{" + str(layer._id) + r"}": layer.thickness for layer in self.layers}
        return a | b

    def set_H(self, H: VectorObj):
        """Sets the external field."""
        self.H = H

    def analytical_field_scan(
        self,
        Hrange: list[VectorObj],
        init_position: Union[list[float], None] = None,
        max_steps: int = 1e9,
        learning_rate: float = 1e-4,
        first_momentum_decay: float = 0.9,
        second_momentum_decay: float = 0.999,
        disable_tqdm: bool = False,
    ) -> Iterable[tuple[list[float], list[float], VectorObj]]:
        """Performs a field scan using the analytical solutions.
        :param Hrange: the range of fields to scan.
        :param init_position: the initial position for the gradient descent.
                              If None, the first field in Hrange will be used.
        :param max_steps: maximum number of gradient steps.
        :param learning_rate: the learning rate (descent speed).
        :param first_momentum_decay: constant for the first momentum.
        :param second_momentum_decay: constant for the second momentum.
        :param disable_tqdm: disable the progress bar.
        :return: an iterable of (equilibrium position, frequencies, field)
        """
        s1 = time.time()
        global_roots = self.analytical_roots()
        s2 = time.time()
        if not disable_tqdm:
            print(f"Analytical roots found in {s2 - s1:.2f} seconds.")
        if init_position is None:
            start = Hrange[0]
            start.mag = 1
            init_position = []
            # align with the first field
            for _ in self.layers:
                init_position.extend([start.theta, start.phi])
        Hsym = sym.Matrix(
            [
                sym.Symbol(r"H_{x}"),
                sym.Symbol(r"H_{y}"),
                sym.Symbol(r"H_{z}"),
            ]
        )
        current_position = init_position
        for Hvalue in tqdm(Hrange, disable=disable_tqdm):
            self.set_H(Hvalue)
            hx, hy, hz = Hvalue.get_cartesian()
            eq = self.adam_gradient_descent(
                init_position=current_position,
                max_steps=max_steps,
                tol=1e-9,
                learning_rate=learning_rate,
                first_momentum_decay=first_momentum_decay,
                second_momentum_decay=second_momentum_decay,
            )
            step_subs = self.get_subs(eq)
            step_subs.update(self.get_ms_subs())
            step_subs.update({Hsym[0]: hx, Hsym[1]: hy, Hsym[2]: hz})
            roots = [s.subs(step_subs) for s in global_roots]
            roots = np.asarray(roots, dtype=np.float32) * gamma / 1e9
            yield eq, roots, Hvalue
            current_position = eq

    def _independent_linearised_jacobian_expr(
        self,
        Vdc_ex_variable: sym.Expr,
        Vdc_ex_value: float,
        zero_pos: list[float],
        H: Union[VectorObj, None] = None,
        frequency: float = None,
    ):
        """Avoid recomputing the same expression for the same system given fixed
        parameters. Computes a linearised Jacobian matrix and its inverse.
        :param Vdc_ex_variable: the variable to use for the excitation (Vp or Hoe).
        :param Vdc_ex_value: the value of the excitation.
        :param zero_pos: the equilibrium position of the system.
        :param H: the external field. If None, the H symbol is used.
        :param frequency: the frequency of the external field. If None, the omega symbol is used.
        :return: the inverse of the Jacobian matrix and the V matrix.
        """
        n = len(self.layers)
        H = (
            sym.ImmutableMatrix(H.get_cartesian())
            if H is not None
            else sym.ImmutableMatrix([sym.Symbol(r"H_{x}"), sym.Symbol(r"H_{y}"), sym.Symbol(r"H_{z}")])
        )
        A_matrix, V_matrix = self._compute_A_and_V_matrices(
            n=n,
            Vdc_ex_variable=Vdc_ex_variable,
            H=H,
            frequency=frequency,
        )
        subs = {
            Vdc_ex_variable: Vdc_ex_value,
            sym.Symbol(r"\omega"): 2 * sym.pi * frequency,
            sym.Symbol(r"H_{x}"): H[0],
            sym.Symbol(r"H_{y}"): H[1],
            sym.Symbol(r"H_{z}"): H[2],
        }
        dummy_vp = LayerDynamic.get_Vp_symbol()
        dummy_hoe = LayerDynamic.get_hoe_ex_symbol()
        # subs for dummy variables if one of the excitations is present
        if dummy_vp not in subs:
            subs[dummy_vp] = 0
        if dummy_hoe not in subs:
            subs[dummy_hoe] = 0

        for i, layer in enumerate(self.layers):
            theta, phi = layer.get_coord_sym()
            subs[theta] = zero_pos[2 * i]
            subs[phi] = zero_pos[2 * i + 1]
        A_matrix = sym.ImmutableMatrix(A_matrix)
        A_matrix = A_matrix.subs(subs)
        V_matrix = V_matrix.subs(subs)
        return A_matrix, V_matrix

    def _compute_numerical_inverse(self, A_matrix):
        # Use NumPy for faster matrix inversion
        A_np = np.asarray(A_matrix, dtype=np.complex128)
        A_inv_np = np.linalg.inv(A_np)
        return sym.Matrix(A_inv_np)

    def _compute_A_and_V_matrices(self, n, Vdc_ex_variable, H, frequency):
        A_matrix = sym.zeros(2 * n, 2 * n)
        V_matrix = sym.zeros(2 * n, 1)
        U = self.create_energy(H=H, volumetric=False)
        omega = sym.Symbol(r"\omega") if frequency is None else 2 * sym.pi * frequency
        for i, layer in enumerate(self.layers):
            rhs = layer.rhs_spherical_llg(U / layer.thickness, osc=True)
            alpha_factor = 1 + layer.alpha**2
            V_matrix[2 * i] = sym.diff(rhs[0] * alpha_factor, Vdc_ex_variable)
            V_matrix[2 * i + 1] = sym.diff(rhs[1] * alpha_factor, Vdc_ex_variable)
            theta, phi = layer.get_coord_sym()
            fn_theta = (omega * sym.I * theta - rhs[0]) * alpha_factor
            fn_phi = (omega * sym.I * phi - rhs[1]) * alpha_factor
            # the functions are only valid for that row i (theta) and i + 1 (phi)
            # so we only need to compute the derivatives for the other layers
            # for the other layers, the derivatives are zero
            for j, layer_j in enumerate(self.layers):
                theta_, phi_ = layer_j.get_coord_sym()
                A_matrix[2 * i, 2 * j] = sym.diff(fn_theta, theta_)
                A_matrix[2 * i, 2 * j + 1] = sym.diff(fn_theta, phi_)
                A_matrix[2 * i + 1, 2 * j] = sym.diff(fn_phi, theta_)
                A_matrix[2 * i + 1, 2 * j + 1] = sym.diff(fn_phi, phi_)
        return A_matrix, V_matrix

    @lru_cache(maxsize=1000)  # noqa: B019
    def _compute_A_and_V_matrices_old(self, n, Vdc_ex_variable, H, frequency):
        A_matrix = sym.zeros(2 * n, 2 * n)
        V_matrix = sym.zeros(2 * n, 1)
        U = self.create_energy(H=H, volumetric=False)
        omega = sym.Symbol(r"\omega") if frequency is None else 2 * sym.pi * frequency
        for i, layer in enumerate(self.layers):
            rhs = layer.rhs_spherical_llg(U / layer.thickness, osc=True)
            V_matrix[2 * i] = sym.diff(rhs[0], Vdc_ex_variable)
            V_matrix[2 * i + 1] = sym.diff(rhs[1], Vdc_ex_variable)
            alpha_factor = 1 + layer.alpha**2
            for j, layer_j in enumerate(self.layers):
                theta_, phi_ = layer_j.get_coord_sym()
                A_matrix[2 * i, 2 * j] = -sym.diff(rhs[0], theta_) * alpha_factor
                A_matrix[2 * i + 1, 2 * j + 1] = -sym.diff(rhs[1], phi_) * alpha_factor
                A_matrix[2 * i, 2 * j + 1] = -sym.diff(rhs[0], phi_) * alpha_factor
                A_matrix[2 * i + 1, 2 * j] = -sym.diff(rhs[1], theta_) * alpha_factor
                if i == j:
                    A_matrix[2 * i, 2 * j] += alpha_factor * omega * sym.I
                    A_matrix[2 * i + 1, 2 * j + 1] += alpha_factor * omega * sym.I
        return A_matrix, V_matrix

    def linearised_N_spin_diode(
        self,
        H: Union[VectorObj, np.ndarray],
        frequency: float,
        Vdc_ex_variable: sym.Expr,
        Vdc_ex_value: float,
        zero_pos: np.ndarray,
        phase_shift: float = 0,
        cache_var: str = "H",
    ):
        """Linearised N-spin diode. Use `LayerDynamic.get_Vp_symbol()`
        or `LayerDynamic.get_hoe_ex_symbol()` for Vdc_ex_variable.
        :param H: the external field.
        :param frequency: the frequency of the external field.
        :param Vdc_ex_variable: the variable to use for the excitation (Vp or Hoe).
        :param Vdc_ex_value: the value of the excitation.
        :param zero_pos: the equilibrium position of the system.
        :param phase_shift: the phase shift of the external field.
        :return: the N-spin diode angle variations.
        """
        # allow only if the layers are LayerDynamic
        if not all(isinstance(layer, LayerDynamic) for layer in self.layers):
            raise ValueError("Linearised N-spin diode only works with LayerDynamic.")
        H = VectorObj.from_cartesian(*H) if isinstance(H, np.ndarray) else H

        extra_args = {}
        extra_subs = {}
        if cache_var == "H":
            extra_args["frequency"] = frequency
            Hcart = H.get_cartesian()
            extra_subs = {
                sym.Symbol(r"H_{x}"): Hcart[0],
                sym.Symbol(r"H_{y}"): Hcart[1],
                sym.Symbol(r"H_{z}"): Hcart[2],
            }
        elif cache_var == "f":
            extra_args["H"] = H
            extra_subs = {
                sym.Symbol(r"\omega"): 2 * sym.pi * frequency,
            }

        A_matrix, V_matrix = self._independent_linearised_jacobian_expr(
            Vdc_ex_variable=Vdc_ex_variable,
            Vdc_ex_value=Vdc_ex_value,
            zero_pos=tuple(zero_pos.tolist()),  # for hashing & caching
            **extra_args,
        )
        A_matrix = A_matrix.subs(extra_subs)
        V_matrix = V_matrix.subs(extra_subs)

        A_inv = self._compute_numerical_inverse(A_matrix)
        fstep = A_inv * V_matrix * sym.exp(sym.I * phase_shift)
        return np.real(np.complex64(fstep.evalf()))

    def __hash__(self):
        return hash(str(self))

    def __eq__(self, other):
        return str(self) == str(other)

adam_gradient_descent(init_position, max_steps, tol=1e-08, learning_rate=0.0001, first_momentum_decay=0.9, second_momentum_decay=0.999, perturbation=1e-06)

A naive implementation of Adam gradient descent. See: ADAM: A METHOD FOR STOCHASTIC OPTIMIZATION, Kingma et Ba, 2015

Parameters:

Name	Type	Description	Default
max_steps	int	maximum number of gradient steps.	required
tol	float	tolerance of the solution.	1e-08
learning_rate	float	the learning rate (descent speed).	0.0001
first_momentum_decay	float	constant for the first momentum.	0.9
second_momentum_decay	float	constant for the second momentum.	0.999

Source code in cmtj/models/general_sb.py

def adam_gradient_descent(
    self,
    init_position: np.ndarray,
    max_steps: int,
    tol: float = 1e-8,
    learning_rate: float = 1e-4,
    first_momentum_decay: float = 0.9,
    second_momentum_decay: float = 0.999,
    perturbation: float = 1e-6,
):
    """
    A naive implementation of Adam gradient descent.
    See: ADAM: A METHOD FOR STOCHASTIC OPTIMIZATION, Kingma et Ba, 2015
    :param max_steps: maximum number of gradient steps.
    :param tol: tolerance of the solution.
    :param learning_rate: the learning rate (descent speed).
    :param first_momentum_decay: constant for the first momentum.
    :param second_momentum_decay: constant for the second momentum.
    """
    step = 0
    gradfn = self.get_gradient_expr()
    current_position = init_position
    if perturbation:
        current_position = perturb_position(init_position, perturbation)
    m = np.zeros_like(current_position)  # first momentum
    v = np.zeros_like(current_position)  # second momentum
    eps = 1e-12
    # history = []
    while True:
        step += 1
        grad = np.asarray(gradfn(*current_position))
        m = first_momentum_decay * m + (1.0 - first_momentum_decay) * grad
        v = second_momentum_decay * v + (1.0 - second_momentum_decay) * grad**2
        m_hat = m / (1.0 - first_momentum_decay**step)
        v_hat = v / (1.0 - second_momentum_decay**step)
        new_position = current_position - learning_rate * m_hat / (np.sqrt(v_hat) + eps)
        if step > max_steps:
            break
        if fast_norm(current_position - new_position) < tol:
            break
        current_position = new_position
        # history.append(current_position)
    # return np.asarray(current_position), np.asarray(history)
    return np.asarray(current_position)

amsgrad_gradient_descent(init_position, max_steps, tol=1e-08, learning_rate=0.0001, first_momentum_decay=0.9, second_momentum_decay=0.999, perturbation=1e-06)

A naive implementation of AMSGrad gradient descent. See: On the Convergence of Adam and Beyond, Reddi et al., 2018

Parameters:

Name	Type	Description	Default
max_steps	int	maximum number of gradient steps.	required
tol	float	tolerance of the solution.	1e-08
learning_rate	float	the learning rate (descent speed).	0.0001
first_momentum_decay	float	constant for the first momentum.	0.9
second_momentum_decay	float	constant for the second momentum.	0.999

Source code in cmtj/models/general_sb.py

def amsgrad_gradient_descent(
    self,
    init_position: np.ndarray,
    max_steps: int,
    tol: float = 1e-8,
    learning_rate: float = 1e-4,
    first_momentum_decay: float = 0.9,
    second_momentum_decay: float = 0.999,
    perturbation: float = 1e-6,
):
    """
    A naive implementation of AMSGrad gradient descent.
    See: On the Convergence of Adam and Beyond, Reddi et al., 2018
    :param max_steps: maximum number of gradient steps.
    :param tol: tolerance of the solution.
    :param learning_rate: the learning rate (descent speed).
    :param first_momentum_decay: constant for the first momentum.
    :param second_momentum_decay: constant for the second momentum.
    """
    step = 0
    gradfn = self.get_gradient_expr()
    current_position = init_position
    if perturbation:
        current_position = perturb_position(init_position, perturbation)
    m = np.zeros_like(current_position)
    v = np.zeros_like(current_position)
    v_hat = np.zeros_like(current_position)
    eps = 1e-12
    while True:
        step += 1
        grad = np.asarray(gradfn(*current_position))
        m = first_momentum_decay * m + (1.0 - first_momentum_decay) * grad
        v = second_momentum_decay * v + (1.0 - second_momentum_decay) * grad**2
        v_hat = np.maximum(v_hat, v)
        new_position = current_position - learning_rate * m / (np.sqrt(v_hat) + eps)
        if step > max_steps:
            break
        if fast_norm(current_position - new_position) < tol:
            break
        current_position = new_position
    return np.asarray(current_position)

analytical_field_scan(Hrange, init_position=None, max_steps=1000000000.0, learning_rate=0.0001, first_momentum_decay=0.9, second_momentum_decay=0.999, disable_tqdm=False)

Performs a field scan using the analytical solutions.

Parameters:

Name	Type	Description	Default
Hrange	list[VectorObj]	the range of fields to scan.	required
init_position	Union[list[float], None]	the initial position for the gradient descent. If None, the first field in Hrange will be used.	None
max_steps	int	maximum number of gradient steps.	1000000000.0
learning_rate	float	the learning rate (descent speed).	0.0001
first_momentum_decay	float	constant for the first momentum.	0.9
second_momentum_decay	float	constant for the second momentum.	0.999
disable_tqdm	bool	disable the progress bar.	False

Returns:

Type	Description
Iterable[tuple[list[float], list[float], VectorObj]]	an iterable of (equilibrium position, frequencies, field)

Source code in cmtj/models/general_sb.py

def analytical_field_scan(
    self,
    Hrange: list[VectorObj],
    init_position: Union[list[float], None] = None,
    max_steps: int = 1e9,
    learning_rate: float = 1e-4,
    first_momentum_decay: float = 0.9,
    second_momentum_decay: float = 0.999,
    disable_tqdm: bool = False,
) -> Iterable[tuple[list[float], list[float], VectorObj]]:
    """Performs a field scan using the analytical solutions.
    :param Hrange: the range of fields to scan.
    :param init_position: the initial position for the gradient descent.
                          If None, the first field in Hrange will be used.
    :param max_steps: maximum number of gradient steps.
    :param learning_rate: the learning rate (descent speed).
    :param first_momentum_decay: constant for the first momentum.
    :param second_momentum_decay: constant for the second momentum.
    :param disable_tqdm: disable the progress bar.
    :return: an iterable of (equilibrium position, frequencies, field)
    """
    s1 = time.time()
    global_roots = self.analytical_roots()
    s2 = time.time()
    if not disable_tqdm:
        print(f"Analytical roots found in {s2 - s1:.2f} seconds.")
    if init_position is None:
        start = Hrange[0]
        start.mag = 1
        init_position = []
        # align with the first field
        for _ in self.layers:
            init_position.extend([start.theta, start.phi])
    Hsym = sym.Matrix(
        [
            sym.Symbol(r"H_{x}"),
            sym.Symbol(r"H_{y}"),
            sym.Symbol(r"H_{z}"),
        ]
    )
    current_position = init_position
    for Hvalue in tqdm(Hrange, disable=disable_tqdm):
        self.set_H(Hvalue)
        hx, hy, hz = Hvalue.get_cartesian()
        eq = self.adam_gradient_descent(
            init_position=current_position,
            max_steps=max_steps,
            tol=1e-9,
            learning_rate=learning_rate,
            first_momentum_decay=first_momentum_decay,
            second_momentum_decay=second_momentum_decay,
        )
        step_subs = self.get_subs(eq)
        step_subs.update(self.get_ms_subs())
        step_subs.update({Hsym[0]: hx, Hsym[1]: hy, Hsym[2]: hz})
        roots = [s.subs(step_subs) for s in global_roots]
        roots = np.asarray(roots, dtype=np.float32) * gamma / 1e9
        yield eq, roots, Hvalue
        current_position = eq

analytical_roots()

Find & cache the analytical roots of the system. Returns a list of solutions. Ineffecient for more than 2 layers (can try though).

Source code in cmtj/models/general_sb.py

def analytical_roots(self):
    """Find & cache the analytical roots of the system.
    Returns a list of solutions.
    Ineffecient for more than 2 layers (can try though).
    """
    Hsym = sym.Matrix(
        [
            sym.Symbol(r"H_{x}"),
            sym.Symbol(r"H_{y}"),
            sym.Symbol(r"H_{z}"),
        ]
    )
    N = len(self.layers)
    if N > 2:
        warnings.warn(
            "Analytical solutions for over 2 layers may be computationally expensive.",
            stacklevel=2,
        )
    system_energy = self.create_energy(H=Hsym, volumetric=False)
    root_expr, energy_functional_expr = find_analytical_roots(N)
    subs = get_all_second_derivatives(energy_functional_expr, energy_expression=system_energy, subs={})
    subs.update(self.get_ms_subs())
    return [s.subs(subs) for s in root_expr]

compose_llg_jacobian(H)

Create a symbolic jacobian of the LLG equation in spherical coordinates.

Source code in cmtj/models/general_sb.py

def compose_llg_jacobian(self, H: VectorObj):
    """Create a symbolic jacobian of the LLG equation in spherical coordinates."""
    # has order theta0, phi0, theta1, phi1, ...
    if isinstance(H, VectorObj):
        H = sym.ImmutableMatrix(H.get_cartesian())

    symbols, fns = [], []
    U = self.create_energy(H=H, volumetric=False)
    for layer in self.layers:
        symbols.extend((layer.theta, layer.phi))
        fns.append(layer.rhs_spherical_llg(U / layer.thickness, osc=False))
    jac = sym.ImmutableMatrix(fns).jacobian(symbols)
    return jac, symbols

create_energy(H=None, volumetric=False) cached

Creates the symbolic energy expression.

Due to problematic nature of coupling, there is an issue of computing each layer's FMR in the presence of IEC. If volumetric = True then we use the thickness of the layer to multiply the energy and hence avoid having to divide J by the thickness of a layer. If volumetric = False the J constant is divided by weighted thickness and included in every layer's energy, correcting FMR automatically.

Source code in cmtj/models/general_sb.py

@lru_cache(3)  # cache for 3 calls
def create_energy(
    self,
    H: Union[VectorObj, sym.ImmutableMatrix, None] = None,
    volumetric: bool = False,
):
    """Creates the symbolic energy expression.

    Due to problematic nature of coupling, there is an issue of
    computing each layer's FMR in the presence of IEC.
    If volumetric = True then we use the thickness of the layer to multiply the
    energy and hence avoid having to divide J by the thickness of a layer.
    If volumetric = False the J constant is divided by weighted thickness
    and included in every layer's energy, correcting FMR automatically.
    """
    if H is None:
        h = self.H.get_cartesian()
        H = sym.ImmutableMatrix(h)
    energy = sum(layer.no_interaction_symbolic_energy(H) * layer.thickness for layer in self.layers)

    for i in range(len(self.layers) - 1):
        l1m = self.layers[i].get_m_sym()
        l2m = self.layers[i + 1].get_m_sym()

        # IEC
        ldot = l1m.dot(l2m)
        energy -= self.J1[i] * ldot
        energy -= self.J2[i] * (ldot) ** 2

        # IDMI, sign is the same J1
        lcross = l1m.cross(l2m)
        energy -= self.ilD[i].dot(lcross)

        # dipole fields
        if self.dipoleMatrix is not None:
            mat = self.dipoleMatrix[i]
            # is positive, just like demag
            energy += (
                (mu0 / 2.0)
                * l1m.dot(mat * l2m)
                * self.layers[i].Ms
                * self.layers[i + 1].Ms
                * self.layers[i].thickness
            )
            energy += (
                (mu0 / 2.0)
                * l2m.dot(mat * l1m)
                * self.layers[i].Ms
                * self.layers[i + 1].Ms
                * self.layers[i + 1].thickness
            )
    return energy

create_energy_hessian(equilibrium_position)

Creates the symbolic hessian of the energy expression.

Source code in cmtj/models/general_sb.py

def create_energy_hessian(self, equilibrium_position: list[float]):
    """Creates the symbolic hessian of the energy expression."""
    energy = self.create_energy(volumetric=False)
    subs = self.get_subs(equilibrium_position)
    N = len(self.layers)
    hessian = [[0 for _ in range(2 * N)] for _ in range(2 * N)]
    for i in range(N):
        z = self.layers[i].sb_correction()
        theta_i, phi_i = self.layers[i].get_coord_sym()
        for j in range(i, N):
            # dtheta dtheta
            theta_j, phi_j = self.layers[j].get_coord_sym()

            expr = sym.diff(sym.diff(energy, theta_i), theta_j)
            hessian[2 * i][2 * j] = expr
            hessian[2 * j][2 * i] = expr

            # dphi dphi
            expr = sym.diff(sym.diff(energy, phi_i), phi_j)
            hessian[2 * i + 1][2 * j + 1] = expr
            hessian[2 * j + 1][2 * i + 1] = expr

            expr = sym.diff(sym.diff(energy, theta_i), phi_j)
            # mixed terms
            if i == j:
                hessian[2 * i + 1][2 * j] = expr + sym.I * z
                hessian[2 * i][2 * j + 1] = expr - sym.I * z
            else:
                hessian[2 * i][2 * j + 1] = expr
                hessian[2 * j + 1][2 * i] = expr

                expr = sym.diff(sym.diff(energy, phi_i), theta_j)
                hessian[2 * i + 1][2 * j] = expr
                hessian[2 * j][2 * i + 1] = expr

    hes = sym.ImmutableMatrix(hessian)
    _, U, _ = hes.LUdecomposition()
    return U.det().subs(subs)

dynamic_layer_solve(eq)

Return the FMR frequencies and modes for N layers using the dynamic RHS model

Parameters:

Name	Type	Description	Default
eq	list[float]	the equilibrium position of the system.	required

Returns:

Type	Description
	frequencies and eigenmode vectors.

Source code in cmtj/models/general_sb.py

def dynamic_layer_solve(self, eq: list[float]):
    """Return the FMR frequencies and modes for N layers using the
    dynamic RHS model
    :param eq: the equilibrium position of the system.
    :return: frequencies and eigenmode vectors."""
    jac, symbols = self.compose_llg_jacobian(self.H)
    subs = {symbols[i]: eq[i] for i in range(len(eq))}
    jac = jac.subs(subs)
    jac = np.asarray(jac, dtype=np.float32)
    eigvals, eigvecs = np.linalg.eig(jac)
    eigvals_im = np.imag(eigvals) / (2 * np.pi)
    indx = np.argwhere(eigvals_im > 0).ravel()
    return eigvals_im[indx], eigvecs[indx]

get_gradient_expr(accel='math')

Returns the symbolic gradient of the energy expression.

Source code in cmtj/models/general_sb.py

def get_gradient_expr(self, accel="math"):
    """Returns the symbolic gradient of the energy expression."""
    energy = self.create_energy(volumetric=False)
    grad_vector = []
    symbols = []
    for layer in self.layers:
        (theta, phi) = layer.get_coord_sym()
        grad_vector.extend((sym.diff(energy, theta), sym.diff(energy, phi)))
        symbols.extend((theta, phi))
    return sym.lambdify(symbols, grad_vector, accel)

get_layer_references(layer_indx, interaction_constant)

Returns the references to the layers above and below the layer with index layer_indx.

Source code in cmtj/models/general_sb.py

def get_layer_references(self, layer_indx: int, interaction_constant: list[float]):
    """Returns the references to the layers above and below the layer
    with index layer_indx."""
    if len(self.layers) == 1:
        return None, None, 0, 0
    if layer_indx == 0:
        return None, self.layers[layer_indx + 1], 0, interaction_constant[0]
    elif layer_indx == len(self.layers) - 1:
        return self.layers[layer_indx - 1], None, interaction_constant[-1], 0
    return (
        self.layers[layer_indx - 1],
        self.layers[layer_indx + 1],
        interaction_constant[layer_indx - 1],
        interaction_constant[layer_indx],
    )

get_ms_subs()

Returns a dictionary of substitutions for the Ms symbols.

Source code in cmtj/models/general_sb.py

def get_ms_subs(self):
    """Returns a dictionary of substitutions for the Ms symbols."""
    a = {r"M_{" + str(layer._id) + "}": layer.Ms for layer in self.layers}
    b = {r"t_{" + str(layer._id) + r"}": layer.thickness for layer in self.layers}
    return a | b

get_subs(equilibrium_position)

Returns the substitution dictionary for the energy expression.

Source code in cmtj/models/general_sb.py

def get_subs(self, equilibrium_position: list[float]):
    """Returns the substitution dictionary for the energy expression."""
    subs = {}
    for i in range(len(self.layers)):
        theta, phi = self.layers[i].get_coord_sym()
        subs[theta] = equilibrium_position[2 * i]
        subs[phi] = equilibrium_position[(2 * i) + 1]
    return subs

linearised_N_spin_diode(H, frequency, Vdc_ex_variable, Vdc_ex_value, zero_pos, phase_shift=0, cache_var='H')

Linearised N-spin diode. Use LayerDynamic.get_Vp_symbol() or LayerDynamic.get_hoe_ex_symbol() for Vdc_ex_variable.

Parameters:

Name	Type	Description	Default
H	Union[VectorObj, np.ndarray]	the external field.	required
frequency	float	the frequency of the external field.	required
Vdc_ex_variable	sym.Expr	the variable to use for the excitation (Vp or Hoe).	required
Vdc_ex_value	float	the value of the excitation.	required
zero_pos	np.ndarray	the equilibrium position of the system.	required
phase_shift	float	the phase shift of the external field.	0

Returns:

Type	Description
	the N-spin diode angle variations.

Source code in cmtj/models/general_sb.py

def linearised_N_spin_diode(
    self,
    H: Union[VectorObj, np.ndarray],
    frequency: float,
    Vdc_ex_variable: sym.Expr,
    Vdc_ex_value: float,
    zero_pos: np.ndarray,
    phase_shift: float = 0,
    cache_var: str = "H",
):
    """Linearised N-spin diode. Use `LayerDynamic.get_Vp_symbol()`
    or `LayerDynamic.get_hoe_ex_symbol()` for Vdc_ex_variable.
    :param H: the external field.
    :param frequency: the frequency of the external field.
    :param Vdc_ex_variable: the variable to use for the excitation (Vp or Hoe).
    :param Vdc_ex_value: the value of the excitation.
    :param zero_pos: the equilibrium position of the system.
    :param phase_shift: the phase shift of the external field.
    :return: the N-spin diode angle variations.
    """
    # allow only if the layers are LayerDynamic
    if not all(isinstance(layer, LayerDynamic) for layer in self.layers):
        raise ValueError("Linearised N-spin diode only works with LayerDynamic.")
    H = VectorObj.from_cartesian(*H) if isinstance(H, np.ndarray) else H

    extra_args = {}
    extra_subs = {}
    if cache_var == "H":
        extra_args["frequency"] = frequency
        Hcart = H.get_cartesian()
        extra_subs = {
            sym.Symbol(r"H_{x}"): Hcart[0],
            sym.Symbol(r"H_{y}"): Hcart[1],
            sym.Symbol(r"H_{z}"): Hcart[2],
        }
    elif cache_var == "f":
        extra_args["H"] = H
        extra_subs = {
            sym.Symbol(r"\omega"): 2 * sym.pi * frequency,
        }

    A_matrix, V_matrix = self._independent_linearised_jacobian_expr(
        Vdc_ex_variable=Vdc_ex_variable,
        Vdc_ex_value=Vdc_ex_value,
        zero_pos=tuple(zero_pos.tolist()),  # for hashing & caching
        **extra_args,
    )
    A_matrix = A_matrix.subs(extra_subs)
    V_matrix = V_matrix.subs(extra_subs)

    A_inv = self._compute_numerical_inverse(A_matrix)
    fstep = A_inv * V_matrix * sym.exp(sym.I * phase_shift)
    return np.real(np.complex64(fstep.evalf()))

set_H(H)

Sets the external field.

Source code in cmtj/models/general_sb.py

def set_H(self, H: VectorObj):
    """Sets the external field."""
    self.H = H

single_layer_resonance(layer_indx, eq_position)

We can compute the equilibrium position of a single layer directly.

Parameters:

Name	Type	Description	Default
layer_indx	int	the index of the layer to compute the equilibrium	required
eq_position	np.ndarray	the equilibrium position vector	required

Source code in cmtj/models/general_sb.py

def single_layer_resonance(self, layer_indx: int, eq_position: np.ndarray):
    """We can compute the equilibrium position of a single layer directly.
    :param layer_indx: the index of the layer to compute the equilibrium
    :param eq_position: the equilibrium position vector"""
    layer = self.layers[layer_indx]
    theta_eq = eq_position[2 * layer_indx]
    theta, phi = self.layers[layer_indx].get_coord_sym()
    energy = self.create_energy(volumetric=True)
    subs = self.get_subs(eq_position)
    d2Edtheta2 = sym.diff(sym.diff(energy, theta), theta).subs(subs)
    d2Edphi2 = sym.diff(sym.diff(energy, phi), phi).subs(subs)
    # mixed, assuming symmetry
    d2Edthetaphi = sym.diff(sym.diff(energy, theta), phi).subs(subs)
    vareps = 1e-18

    fmr = (d2Edtheta2 * d2Edphi2 - d2Edthetaphi**2) / np.power(np.sin(theta_eq + vareps) * layer.Ms, 2)
    fmr = np.sqrt(float(fmr)) * gamma_rad / (2 * np.pi)
    return fmr

solve(init_position, max_steps=1000000000.0, learning_rate=0.0001, adam_tol=1e-08, first_momentum_decay=0.9, second_momentum_decay=0.999, perturbation=0.001, ftol=10000000.0, max_freq=80000000000.0, force_single_layer=False, force_sb=False)

Solves the system. For dynamic LayerDynamic, the return is different, check :return. 1. Computes the energy functional. 2. Computes the gradient of the energy functional. 3. Performs a gradient descent to find the equilibrium position. Returns the equilibrium position and frequencies in [GHz]. If there's only one layer, the frequency is computed analytically. For full analytical solution, see: analytical_field_scan

Parameters:

Name	Type	Description	Default
init_position	np.ndarray	initial position for the gradient descent. Must be a 1D array of size 2 * number of layers (theta, phi)	required
max_steps	int	maximum number of gradient steps.	1000000000.0
learning_rate	float	the learning rate (descent speed).	0.0001
adam_tol	float	tolerance for the consecutive Adam minima.	1e-08
first_momentum_decay	float	constant for the first momentum.	0.9
second_momentum_decay	float	constant for the second momentum.	0.999
perturbation	float	the perturbation to use for the numerical gradient computation.	0.001
ftol	float	tolerance for the frequency search. [numerical only]	10000000.0
max_freq	float	maximum frequency to search for. [numerical only]	80000000000.0
force_single_layer	bool	whether to force the computation of the frequencies for each layer individually.	False
force_sb	bool	whether to force the computation of the frequencies. Takes effect only if the layers are LayerDynamic, not LayerSB.	False

Returns:

Type	Description
	equilibrium position and frequencies in [GHz] (and eigenvectors if LayerDynamic instead of LayerSB).

Source code in cmtj/models/general_sb.py

def solve(
    self,
    init_position: np.ndarray,
    max_steps: int = 1e9,
    learning_rate: float = 1e-4,
    adam_tol: float = 1e-8,
    first_momentum_decay: float = 0.9,
    second_momentum_decay: float = 0.999,
    perturbation: float = 1e-3,
    ftol: float = 0.01e9,
    max_freq: float = 80e9,
    force_single_layer: bool = False,
    force_sb: bool = False,
):
    """Solves the system.
    For dynamic LayerDynamic, the return is different, check :return.
    1. Computes the energy functional.
    2. Computes the gradient of the energy functional.
    3. Performs a gradient descent to find the equilibrium position.
    Returns the equilibrium position and frequencies in [GHz].
    If there's only one layer, the frequency is computed analytically.
    For full analytical solution, see: `analytical_field_scan`
    :param init_position: initial position for the gradient descent.
                          Must be a 1D array of size 2 * number of layers (theta, phi)
    :param max_steps: maximum number of gradient steps.
    :param learning_rate: the learning rate (descent speed).
    :param adam_tol: tolerance for the consecutive Adam minima.
    :param first_momentum_decay: constant for the first momentum.
    :param second_momentum_decay: constant for the second momentum.
    :param perturbation: the perturbation to use for the numerical gradient computation.
    :param ftol: tolerance for the frequency search. [numerical only]
    :param max_freq: maximum frequency to search for. [numerical only]
    :param force_single_layer: whether to force the computation of the frequencies
                               for each layer individually.
    :param force_sb: whether to force the computation of the frequencies.
                    Takes effect only if the layers are LayerDynamic, not LayerSB.
    :return: equilibrium position and frequencies in [GHz] (and eigenvectors if LayerDynamic instead of LayerSB).
    """
    if self.H is None:
        raise ValueError("H must be set before solving the system numerically.")
    assert len(init_position) == 2 * len(
        self.layers
    ), f"Incorrect initial position size. Given: {len(init_position)}, expected: {2 * len(self.layers)}"
    eq = self.adam_gradient_descent(
        init_position=init_position,
        max_steps=max_steps,
        tol=adam_tol,
        learning_rate=learning_rate,
        first_momentum_decay=first_momentum_decay,
        second_momentum_decay=second_momentum_decay,
        perturbation=perturbation,
    )
    if not force_sb and isinstance(self.layers[0], LayerDynamic):
        eigenvalues, eigenvectors = self.dynamic_layer_solve(eq)
        return eq, eigenvalues / 1e9, eigenvectors
    N = len(self.layers)
    if N == 1:
        return eq, [self.single_layer_resonance(0, eq) / 1e9]
    if force_single_layer:
        frequencies = []
        for indx in range(N):
            frequency = self.single_layer_resonance(indx, eq) / 1e9
            frequencies.append(frequency)
        return eq, frequencies
    return self.num_solve(eq, ftol=ftol, max_freq=max_freq)

fast_norm(x)

Fast norm function for 1D arrays.

Source code in cmtj/models/general_sb.py

@njit
def fast_norm(x):  # sourcery skip: for-index-underscore, sum-comprehension
    """Fast norm function for 1D arrays."""
    sum_ = 0
    for x_ in x:
        sum_ += x_**2
    return math.sqrt(sum_)

general_hessian_functional(N) cached

Create a generalised hessian functional for N layers.

Parameters:

Name	Type	Description	Default
N	int	number of layers. ! WARNING: remember Ms Symbols must match!!!	required

Source code in cmtj/models/general_sb.py

@lru_cache
def general_hessian_functional(N: int):
    """Create a generalised hessian functional for N layers.
    :param N: number of layers.
    ! WARNING: remember Ms Symbols must match!!!
    """
    all_symbols = []
    for i in range(N):
        # indx_i = str(i + 1) # for display purposes
        indx_i = str(i)
        all_symbols.extend((sym.Symbol(r"\theta_" + indx_i), sym.Symbol(r"\phi_" + indx_i)))
    energy_functional_expr = sym.Function("E")(*all_symbols)
    return (
        get_hessian_from_energy_expr(N, energy_functional_expr),
        energy_functional_expr,
    )

get_all_second_derivatives(energy_functional_expr, energy_expression, subs=None)

Get all second derivatives of the energy expression.

Parameters:

Name	Type	Description	Default
energy_functional_expr		symbolic energy_functional expression	required
energy_expression		symbolic energy expression (from solver)	required
subs		substitutions to be made.	None

Source code in cmtj/models/general_sb.py

def get_all_second_derivatives(energy_functional_expr, energy_expression, subs=None):
    """Get all second derivatives of the energy expression.
    :param energy_functional_expr: symbolic energy_functional expression
    :param energy_expression: symbolic energy expression (from solver)
    :param subs: substitutions to be made."""
    if subs is None:
        subs = {}
    second_derivatives = subs
    symbols = energy_expression.free_symbols
    for i, s1 in enumerate(symbols):
        for j, s2 in enumerate(symbols):
            if i <= j:
                org_diff = sym.diff(energy_functional_expr, s1, s2)
                if subs is not None:
                    second_derivatives[org_diff] = sym.diff(energy_expression, s1, s2).subs(subs)
                else:
                    second_derivatives[org_diff] = sym.diff(energy_expression, s1, s2)
    return second_derivatives

get_hessian_from_energy_expr(N, energy_functional_expr) cached

Computes the Hessian matrix of the energy functional expression with respect to the spin angles and phases.

Parameters:

Name	Type	Description	Default
(int)	N	The number of spins.	required
(sympy.Expr)	energy_functional_expr	The energy functional expression. returns: sympy.Matrix: The Hessian matrix of the energy functional expression.	required

Source code in cmtj/models/general_sb.py

@lru_cache
def get_hessian_from_energy_expr(N: int, energy_functional_expr: sym.Expr):
    """
    Computes the Hessian matrix of the energy functional expression with respect to the spin angles and phases.

    :param N (int): The number of spins.
    :param energy_functional_expr (sympy.Expr): The energy functional expression.

    returns: sympy.Matrix: The Hessian matrix of the energy functional expression.
    """
    hessian = [[0 for _ in range(2 * N)] for _ in range(2 * N)]
    for i in range(N):
        # indx_i = str(i + 1) # for display purposes
        indx_i = str(i)
        # z = sym.Symbol("Z")
        # these here must match the Ms symbols!
        z = (
            sym.Symbol(r"\omega")
            * sym.Symbol(r"M_{" + indx_i + "}")
            * sym.sin(sym.Symbol(r"\theta_" + indx_i))
            * sym.Symbol(r"t_{" + indx_i + "}")
        )
        for j in range(i, N):
            # indx_j = str(j + 1) # for display purposes
            indx_j = str(j)
            s1 = sym.Symbol(r"\theta_" + indx_i)
            s2 = sym.Symbol(r"\theta_" + indx_j)

            expr = sym.diff(energy_functional_expr, s1, s2)
            hessian[2 * i][2 * j] = expr
            hessian[2 * j][2 * i] = expr
            s1 = sym.Symbol(r"\phi_" + indx_i)
            s2 = sym.Symbol(r"\phi_" + indx_j)
            expr = sym.diff(energy_functional_expr, s1, s2)
            hessian[2 * i + 1][2 * j + 1] = expr
            hessian[2 * j + 1][2 * i + 1] = expr

            s1 = sym.Symbol(r"\theta_" + indx_i)
            s2 = sym.Symbol(r"\phi_" + indx_j)
            expr = sym.diff(energy_functional_expr, s1, s2)
            if i == j:
                hessian[2 * i + 1][2 * j] = expr + sym.I * z
                hessian[2 * i][2 * j + 1] = expr - sym.I * z
            else:
                hessian[2 * i][2 * j + 1] = expr
                hessian[2 * j + 1][2 * i] = expr

                s1 = sym.Symbol(r"\phi_" + indx_i)
                s2 = sym.Symbol(r"\theta_" + indx_j)
                expr = sym.diff(energy_functional_expr, s1, s2)
                hessian[2 * i + 1][2 * j] = expr
                hessian[2 * j][2 * i + 1] = expr
    return sym.Matrix(hessian)

real_deocrator(fn)

Using numpy real cast is way faster than sympy.

Source code in cmtj/models/general_sb.py

def real_deocrator(fn):
    """Using numpy real cast is way faster than sympy."""

    def wrap_fn(*args):
        return np.real(fn(*args))

    return wrap_fn

solve_for_determinant(N) cached

Solve for the determinant of the hessian functional.

Parameters:

Name	Type	Description	Default
N	int	number of layers.	required

Source code in cmtj/models/general_sb.py

@lru_cache
def solve_for_determinant(N: int):
    """Solve for the determinant of the hessian functional.
    :param N: number of layers.
    """
    hessian, energy_functional_expr = general_hessian_functional(N)
    if N == 1:
        return hessian.det(), energy_functional_expr

    # LU decomposition
    _, U, _ = hessian.LUdecomposition()
    return U.det(), energy_functional_expr