Source code for struphy.models.variational_perturbative_mhd

import copy

from struphy.feec.mass import L2Projector
from struphy.io.options import BaseUnits, LiteralOptions
from struphy.models.base import StruphyModel
from struphy.models.scalars import BilinearEnergyFEEC, FunctionScalarFEEC, Scalars
from struphy.models.species import (
    DiagnosticSpecies,
    FieldSpecies,
    FluidSpecies,
)
from struphy.models.variables import FEECVariable
from struphy.polar.basic import PolarVector
from struphy.propagators.base import Propagator
from struphy.propagators.utils import VelocityMass
from struphy.propagators.variational_density_evolve import VariationalDensityEvolve
from struphy.propagators.variational_linear_alfven_evolve import VariationalLinearAlfvenEvolve
from struphy.propagators.variational_linear_sound_evolve import VariationalLinearSoundEvolve
from struphy.propagators.variational_momentum_advection import VariationalMomentumAdvection
from struphy.propagators.variational_pb_evolve import VariationalPBEvolve
from struphy.propagators.variational_resistivity import VariationalResistivity
from struphy.propagators.variational_viscosity import VariationalViscosity


[docs] class VariationalPerturbativeMHD(StruphyModel): """Perturbative (delta-f) or linear visco-resistive MHD equations, with the pressure variable, discretized with a variational method. Parameters ---------- base_units: BaseUnits Base units for normalization (default: BaseUnits()) mass_number: float Mass number (in units of Proton mass) of the fluid species (default: 1.0) linear: bool Whether to solve the linearized equations, i.e. to drop the terms that are nonlinear in the perturbations (default: False) with_viscosity: bool Whether to include viscous dissipation (default: True) with_resistivity: bool Whether to include resistive dissipation (default: True) crank_nicolson: bool Only for ``linear=True``: whether to advance the velocity, the magnetic field and the pressure with one linear solve per substep (``variat_lin_alfven`` and ``variat_lin_sound``, energy conserving, by default with midpoint weights of the second-order terms, option ``weights``) instead of the Picard iteration of ``variat_pb`` (default: False) u_space: str Space of the velocity, ``"H1vec"`` (vector field) or ``"Hdiv"`` (2-form, as in :class:`~struphy.models.linear_mhd.LinearMHD`; for the nonlinear model, and for the linear model with one linear solve per substep, ``linear=True``, ``crank_nicolson=True``) (default: ``"H1vec"``) """ @classmethod def model_type(cls) -> LiteralOptions.ModelTypes: return "Fluid" ## species class EMFields(FieldSpecies): def __init__(self): self.b_field = FEECVariable(space="Hdiv") self.init_variables() class MHD(FluidSpecies): def __init__(self, mass_number: float = 1.0, u_space: str = "H1vec"): self.density = FEECVariable(space="L2") self.velocity = FEECVariable(space=u_space) self.pressure = FEECVariable(space="L2") self.init_variables(mass_number=mass_number) class Diagnostics(DiagnosticSpecies): def __init__(self, crank_nicolson: bool = False): self.div_u = FEECVariable(space="L2") self.u2 = FEECVariable(space="Hdiv") self.pt3 = FEECVariable(space="L2") self.bt2 = FEECVariable(space="Hdiv") if crank_nicolson: # vector potential of the second-order field (one linear solve per substep only) self.at1 = FEECVariable(space="Hcurl") self.init_variables() ## propagators class Propagators: def __init__( self, div_u: FEECVariable = None, u2: FEECVariable = None, pt3: FEECVariable = None, bt2: FEECVariable = None, at1: FEECVariable = None, rho: FEECVariable = None, linear: bool = False, with_viscosity: bool = True, with_resistivity: bool = True, crank_nicolson: bool = False, ): self.variat_dens = VariationalDensityEvolve() if crank_nicolson: self.variat_lin_alfven = VariationalLinearAlfvenEvolve(at1=at1, bt2=bt2) self.variat_lin_sound = VariationalLinearSoundEvolve(div_u=div_u, u2=u2, pt3=pt3) elif linear: self.variat_pb = VariationalPBEvolve(div_u=div_u, u2=u2, pt3=pt3, bt2=bt2) else: # rho: the density perturbation, for the mass matrix of the total density of a velocity in Hdiv self.variat_mom = VariationalMomentumAdvection(rho=rho) self.variat_pb = VariationalPBEvolve(pt3=pt3, bt2=bt2, rho=rho) # the linear model heats the auxiliary pressure p-hat; the nonlinear one heats the pressure (full_p) if with_viscosity: self.variat_viscous = VariationalViscosity(rho=rho, pt3=pt3 if linear else None) if with_resistivity: self.variat_resist = VariationalResistivity(rho=rho, pt3=pt3 if linear else None) ## abstract methods def __init__( self, base_units: BaseUnits = BaseUnits(), mass_number: float = 1.0, linear: bool = False, with_viscosity: bool = True, with_resistivity: bool = True, crank_nicolson: bool = False, u_space: str = "H1vec", ): if crank_nicolson and not linear: raise ValueError(f"{self.__class__.__name__}: crank_nicolson=True needs linear=True.") assert u_space in ("H1vec", "Hdiv"), f'u_space must be "H1vec" or "Hdiv", got {u_space!r}.' assert u_space == "H1vec" or not linear or crank_nicolson, ( 'u_space="Hdiv" is available for the nonlinear model and for the linear model with one linear solve per ' "substep (linear=True, crank_nicolson=True)." ) # 0. store input parameters self.params = copy.deepcopy(locals()) # 1. instantiate all species self.em_fields = self.EMFields() self.mhd = self.MHD(mass_number=mass_number, u_space=u_space) self.diagnostics = self.Diagnostics(crank_nicolson=crank_nicolson) # 2. derive units (must be done after instantiating species to access charge and mass numbers) self.setup_equation_params(base_units=base_units) # 3. instantiate all propagators self.propagators = self.Propagators( div_u=self.diagnostics.div_u, u2=self.diagnostics.u2, pt3=self.diagnostics.pt3, bt2=self.diagnostics.bt2, at1=self.diagnostics.at1 if crank_nicolson else None, rho=self.mhd.density, linear=linear, with_viscosity=with_viscosity, with_resistivity=with_resistivity, crank_nicolson=crank_nicolson, ) # 4. assign variables to propagators self.propagators.variat_dens.variables.rho = self.mhd.density self.propagators.variat_dens.variables.u = self.mhd.velocity if not linear: self.propagators.variat_mom.variables.u = self.mhd.velocity if crank_nicolson: self.propagators.variat_lin_alfven.variables.u = self.mhd.velocity self.propagators.variat_lin_alfven.variables.b = self.em_fields.b_field self.propagators.variat_lin_sound.variables.u = self.mhd.velocity self.propagators.variat_lin_sound.variables.s = self.mhd.pressure else: self.propagators.variat_pb.variables.u = self.mhd.velocity self.propagators.variat_pb.variables.p = self.mhd.pressure self.propagators.variat_pb.variables.b = self.em_fields.b_field if with_viscosity: self.propagators.variat_viscous.variables.s = self.mhd.pressure self.propagators.variat_viscous.variables.u = self.mhd.velocity if with_resistivity: self.propagators.variat_resist.variables.s = self.mhd.pressure self.propagators.variat_resist.variables.b = self.em_fields.b_field # 5. define scalars to be tracked during simulation # the velocity mass matrix of the propagators (density-weighted): M2n for the linear model with a velocity in # Hdiv, the mass matrix of the total density (rho_0 + rho) for the nonlinear one if u_space == "Hdiv" and not linear: kinetic_energy = FunctionScalarFEEC(self._compute_en_U_hdiv) else: kinetic_energy = BilinearEnergyFEEC( self.mhd.velocity, bilinear_form_name="M2n" if u_space == "Hdiv" else "WMMnew" ) magnetic_energy_1 = BilinearEnergyFEEC(self.em_fields.b_field) # int B0 . B-hat, as int J0 . A-hat with one linear solve per substep if crank_nicolson: magnetic_energy_2 = FunctionScalarFEEC(self._compute_en_mag_2) else: magnetic_energy_2 = BilinearEnergyFEEC(self.diagnostics.bt2, right_variable="b2", normalization=2.0) thermo_energy = FunctionScalarFEEC(self._compute_en_thermo) thermo_energy_l1 = FunctionScalarFEEC(self._compute_en_thermo_l1) magnetic_energy_l1 = BilinearEnergyFEEC(self.em_fields.b_field, right_variable="b2", normalization=2.0) self.scalars = Scalars( en_U=kinetic_energy, en_thermo=thermo_energy, en_mag_1=magnetic_energy_1, en_mag_2=magnetic_energy_2, en_tot=kinetic_energy + thermo_energy + magnetic_energy_1 + magnetic_energy_2, en_tot_l1=thermo_energy_l1 + magnetic_energy_l1, en_thermo_l1=thermo_energy_l1, en_mag_l1=magnetic_energy_l1, ) @property def bulk_species(self): return self.mhd @property def velocity_scale(self): return "alfvén" @property def propagator_variants(self) -> dict: """The values of the option ``model`` of the variational propagators that match ``linear`` (``variat_lin_sound`` with ``crank_nicolson``, else ``variat_pb``).""" if self.params["crank_nicolson"]: return { "variat_dens": "linear", "variat_lin_sound": "linear_p", "variat_viscous": "linear_p", "variat_resist": "linear_p", } if self.params["linear"]: return { "variat_dens": "linear", "variat_pb": "linear", "variat_viscous": "linear_p", "variat_resist": "linear_p", } return { "variat_dens": "perturbative", "variat_pb": "perturbative", "variat_viscous": "full_p", "variat_resist": "full_p", } def post_allocate(self): # the propagator options must match the flag `linear` for name, variant in self.propagator_variants.items(): prop = getattr(self.propagators, name, None) if prop is not None and prop.options.model != variant: raise ValueError( f"{self.__class__.__name__}(linear={self.params['linear']}) needs " f"{name}.Options(model='{variant}'), got model='{prop.options.model}'." ) # the dissipative heating of the linear model uses the gamma of its own propagator options if self.params["linear"]: gamma = self._thermo_propagator.options.gamma for name in ("variat_viscous", "variat_resist"): prop = getattr(self.propagators, name, None) if prop is not None and prop.options.gamma != gamma: raise ValueError( f"{name}.Options(gamma={prop.options.gamma}) must match the gamma={gamma} of the pressure." ) # L2 dofs of sqrt(g), the linear form of the integral over the domain of a 3-form: # p . vol_dofs = int p^3 d eta = int p dx (the pressure linear form of VariationalPBEvolve, up to -1/(gamma-1)) projV3 = L2Projector("L2", Propagator.mass_ops) self._vol_dofs = projV3.get_dofs(Propagator.domain.jacobian_det) self._ones = Propagator.derham.V3pol.zeros() if isinstance(self._ones, PolarVector): self._ones.tp[:] = 1.0 else: self._ones[:] = 1.0 self._tmp_div_B = Propagator.derham.V3pol.zeros() # nonlinear model with a velocity in Hdiv: mass matrix of the total density for the kinetic energy if self.params["u_space"] == "Hdiv" and not self.params["linear"]: self._velocity_mass = VelocityMass( Propagator.derham, Propagator.domain, Propagator.mass_ops, Propagator.projected_equil, rho_field=self.mhd.density, ) self._tmp_M_u = Propagator.derham.V2pol.zeros() @property def _thermo_propagator(self): """The propagator that advances the pressure (its options hold gamma).""" if self.params["crank_nicolson"]: return self.propagators.variat_lin_sound return self.propagators.variat_pb def _compute_en_mag_2(self): return self.propagators.variat_lin_alfven.second_order_energy() def _compute_en_U_hdiv(self): """Kinetic energy 1/2 u^T M^2_rho u with the total density rho_0 + rho (velocity in Hdiv).""" self._velocity_mass.update() u = self.mhd.velocity.spline.vector return 0.5 * u.inner(self._velocity_mass.M_rho.dot(u, out=self._tmp_M_u)) def _compute_en_thermo(self): pt3 = self.diagnostics.pt3.spline.vector gamma = self._thermo_propagator.options.gamma return pt3.inner(self._vol_dofs) / (gamma - 1.0) def _compute_en_thermo_l1(self): p = self.mhd.pressure.spline.vector gamma = self._thermo_propagator.options.gamma return p.inner(self._vol_dofs) / (gamma - 1.0) # default parameters def generate_default_parameter_file(self, path=None, prompt=True): params_path = super().generate_default_parameter_file(path=path, prompt=prompt) variants = self.propagator_variants linear = self.params["linear"] new_file = [] with open(params_path, "r") as f: for line in f: name = next((n for n in variants if f"{n}.Options" in line), None) if name is not None: new_file += [ f"model.propagators.{name}.options = model.propagators.{name}.Options(model='{variants[name]}')\n", ] elif "pressure.add_background" in line and linear: new_file += ["model.mhd.density.add_background(FieldsBackground())\n"] new_file += [line] elif ( line.startswith("derham_opts = DerhamOptions()") and self.params["u_space"] == "Hdiv" and not linear ): # the bracket of the momentum advection with a velocity in Hdiv needs the degree p >= 2 (except in # periodic directions with one element) new_file += [ "# velocity in Hdiv: the momentum advection needs degree >= 2 (except in periodic directions " "with one element)\n", "derham_opts = DerhamOptions(degree=(2, 2, 1))\n", ] else: new_file += [line] with open(params_path, "w") as f: for line in new_file: f.write(line)
[docs] @classmethod def doc_pde(cls): r"""**PDEs solved by model:** The unknowns are the perturbations :math:`(\tilde\rho, \tilde p, \tilde{\mathbf B})` with respect to a zero-flow MHD equilibrium :math:`(\rho_0, p_0, \mathbf B_0)`, and the velocity :math:`\mathbf u`. Continuity: .. math:: \partial_t \tilde{\rho} + \nabla \cdot \left( (\tilde{\rho} + \rho_0) \tilde{\mathbf{u}} \right) = 0 Momentum: .. math:: \partial_t \left( (\tilde{\rho} + \rho_0) \tilde{\mathbf{u}} \right) + \nabla \cdot \left( (\tilde{\rho} + \rho_0) \tilde{\mathbf{u}} \otimes \tilde{\mathbf{u}} \right) + \nabla \tilde{p} + \mathbf{B}_0 \times \nabla \times \tilde{\mathbf{B}} + \tilde{\mathbf{B}} \times \nabla \times \mathbf{B}_0 + \tilde{\mathbf{B}} \times \nabla \times \tilde{\mathbf{B}} - \nabla \cdot \left( (\mu + \mu_a(\mathbf{x})) \nabla \tilde{\mathbf{u}} \right) = 0 Pressure: .. math:: \partial_t \tilde{p} + \tilde{\mathbf{u}} \cdot \nabla (\tilde{p} + p_0) + \gamma (\tilde{p} + p_0) \nabla \cdot \tilde{\mathbf{u}} = (\gamma - 1) \left( (\mu + \mu_a(\mathbf{x})) |\nabla \tilde{\mathbf{u}}|^2 + (\eta + \eta_a(\mathbf{x})) |\nabla \times \tilde{\mathbf{B}}|^2 \right) Induction: .. math:: \partial_t \tilde{\mathbf{B}} + \nabla \times \left( (\tilde{\mathbf{B}} + \mathbf{B}_0) \times \tilde{\mathbf{u}} \right) + \nabla \times (\eta + \eta_a(\mathbf{x})) \nabla \times \tilde{\mathbf{B}} = 0 Here :math:`\mu_a(\mathbf{x})` and :math:`\eta_a(\mathbf{x})` are artificial viscosity and resistivity coefficients. **Linear model** (``linear=True``): the terms that are nonlinear in the perturbations are dropped, .. math:: &\partial_t \tilde{\rho} + \nabla \cdot (\rho_0 \tilde{\mathbf{u}}) = 0\,, \\[2mm] &\partial_t (\rho_0 \tilde{\mathbf{u}}) + \nabla \tilde{p} + \mathbf{B}_0 \times \nabla \times \tilde{\mathbf{B}} + \tilde{\mathbf{B}} \times \nabla \times \mathbf{B}_0 - \nabla \cdot \left( (\mu + \mu_a(\mathbf{x})) \nabla \tilde{\mathbf{u}} \right) = 0\,, \\[2mm] &\partial_t \tilde{p} + \tilde{\mathbf{u}} \cdot \nabla p_0 + \gamma p_0 \nabla \cdot \tilde{\mathbf{u}} = 0\,, \\[2mm] &\partial_t \tilde{\mathbf{B}} + \nabla \times (\mathbf{B}_0 \times \tilde{\mathbf{u}}) + \nabla \times (\eta + \eta_a(\mathbf{x})) \nabla \times \tilde{\mathbf{B}} = 0\,. In the linear model the viscous and resistive heating, which is quadratic in the perturbations, is not fed back into the pressure perturbation :math:`\tilde p`: it goes into the second-order auxiliary pressure :math:`\hat p` (diagnostic ``pt3``), whose energy :math:`\int \hat p/(\gamma - 1)` is part of the conserved total energy ``en_tot``. So with dissipation the total energy is still conserved up to the solver tolerances. **Second-order magnetic energy with one linear solve per substep** (``crank_nicolson=True``): the term :math:`\int \mathbf B_0 \cdot \hat{\mathbf B}` is written as :math:`\int \mathbf J_0 \cdot \hat{\mathbf A}`, with the auxiliary vector potential :math:`\hat{\mathbf A}` (``diagnostics.at1``), :math:`\partial_t \hat{\mathbf A} = - \tilde{\mathbf B} \times \mathbf u`, :math:`\hat{\mathbf B} = \nabla \times \hat{\mathbf A}` (``diagnostics.bt2``) and the equilibrium current :math:`\mathbf J_0 = \nabla \times \mathbf B_0`. Both are the same in the continuum (:math:`\hat{\mathbf A} \times \mathbf n = 0` at the wall); discretely the force :math:`\mathbf J_0 \times \tilde{\mathbf B}` then uses the current of the dual complex, the curl of the 1-form :math:`\star \mathbf B_0` without wall conditions, instead of the weak curl of :math:`\mathbf B_0`, which vanishes tangentially at a wall and causes a spurious wall instability (see :class:`~struphy.propagators.variational_linear_alfven_evolve.VariationalLinearAlfvenEvolve`). **Velocity in** :math:`H(\textnormal{div})` (``linear=True, crank_nicolson=True, u_space="Hdiv"``): the linear model can also be discretized with the velocity as a 2-form, as in :class:`~struphy.models.linear_mhd.LinearMHD`; this is possible because the linear model has no advection of the momentum (no commutator), the only term that needs :math:`\mathbf u \in (H^1)^3`. The variational structure is the same, so the energy is conserved up to the solver tolerances; the boundary condition is :math:`\mathbf u \cdot \mathbf n = 0` instead of :math:`\mathbf u = 0`. It is available with one linear solve per substep only (``crank_nicolson=True``). The viscous term is then discretized with the divergence and the curl of :math:`\mathbf u`, :math:`\int \mu (\nabla \cdot \mathbf u\, \nabla \cdot \mathbf v + \nabla \times \mathbf u \cdot \nabla \times \mathbf v)`, which equals :math:`\int \mu \nabla \mathbf u : \nabla \mathbf v` up to boundary terms. The curl is the weak curl, as the current of the resistivity, so the wall condition is perfect slip, :math:`(\nabla \times \mathbf u) \times \mathbf n = 0`, and the tangential velocity at the wall stays free. **Velocity in** :math:`H(\textnormal{div})` **for the nonlinear model** (``u_space="Hdiv"``): the advection of the momentum (the commutator of the Euler-Poincaré equations) is discretized with the vector fields acting as derivations on an auxiliary space that contains the contravariant velocity components, so that the bracket needs no projection (:class:`~struphy.feec.variational_utilities.HdivBracketOperator`). It needs the degree :math:`p \geq 2`, except in periodic directions with one element, and no polar splines. The velocity mass matrix is the 2-form mass matrix of the total density :math:`\rho_0 + \tilde\rho`, and the energy is conserved up to the solver tolerances, as with the velocity in :math:`(H^1)^3`. """
[docs] @classmethod def doc_normalization(cls): r"""The velocity scale is Alfvénic: .. math:: \hat u = \hat v_A. """
[docs] @classmethod def doc_scalar_quantities(cls): r"""**The following scalars are tracked during simulation:** - Kinetic energy: ``en_U`` - Thermal energies: ``en_thermo``, ``en_thermo_l1`` - Magnetic energies: ``en_mag_1``, ``en_mag_2``, ``en_mag_l1`` - Total energies: ``en_tot``, ``en_tot_l1``"""
[docs] @classmethod def doc_discretization(cls): """Time integration is performed by the following propagators (in sequence): 1. :class:`~struphy.propagators.variational_density_evolve.VariationalDensityEvolve` 2. :class:`~struphy.propagators.variational_momentum_advection.VariationalMomentumAdvection` (if :attr:`linear` is False) 3. :class:`~struphy.propagators.variational_pb_evolve.VariationalPBEvolve`, or, if :attr:`crank_nicolson` is True (linear model only), :class:`~struphy.propagators.variational_linear_alfven_evolve.VariationalLinearAlfvenEvolve` and :class:`~struphy.propagators.variational_linear_sound_evolve.VariationalLinearSoundEvolve` (one linear solve each, energy conserving, with midpoint weights of the second-order terms by default) 4. :class:`~struphy.propagators.variational_viscosity.VariationalViscosity` (if :attr:`with_viscosity` is True) 5. :class:`~struphy.propagators.variational_resistivity.VariationalResistivity` (if :attr:`with_resistivity` is True) The option ``model`` of the variational propagators is ``"perturbative"`` (``"full_p"`` for the dissipative ones), or ``"linear"`` (``"linear_p"``) if :attr:`linear` is True. With ``u_space="Hdiv"`` the propagators of the linear model use the velocity mass matrix :attr:`~struphy.feec.mass.WeightedMassOperators.M2n` and, for the equilibrium terms, the basis projection operators of :class:`~struphy.propagators.shear_alfven_propagator.ShearAlfvenPropagator` and :class:`~struphy.propagators.magnetosonic.Magnetosonic`; those of the nonlinear model use the 2-form mass matrix of the total density (:class:`~struphy.propagators.utils.VelocityMass`) and the transport operators of :mod:`~struphy.feec.variational_utilities` with ``u_space="Hdiv"``. """ doc = rf"""**1. VariationalDensityEvolve:** {VariationalDensityEvolve.__doc__} **2. VariationalMomentumAdvection:** {VariationalMomentumAdvection.__doc__} **3. VariationalPBEvolve:** {VariationalPBEvolve.__doc__} **3. (crank_nicolson=True) VariationalLinearAlfvenEvolve:** {VariationalLinearAlfvenEvolve.__doc__} **3. (crank_nicolson=True) VariationalLinearSoundEvolve:** {VariationalLinearSoundEvolve.__doc__} **4. VariationalViscosity:** {VariationalViscosity.__doc__} **5. VariationalResistivity:** {VariationalResistivity.__doc__} """ return doc
[docs] @classmethod def doc_long_description(cls): r"""VariationalPerturbativeMHD is the dissipative perturbative MHD model using pressure as thermodynamic variable. It is intended for departures from a background equilibrium that are not strictly linear but still naturally formulated as perturbations; with ``linear=True`` it solves linear MHD around the equilibrium, with ``crank_nicolson=True`` in addition without Picard iteration (one linear solve per substep, still energy conserving)."""
[docs] @classmethod def doc_examples(cls): r"""Create and initialize the visco-resistive perturbative MHD model and its linear version: .. code-block:: python from struphy.models import VariationalPerturbativeMHD model = VariationalPerturbativeMHD() linear_model = VariationalPerturbativeMHD(linear=True) linear_cn_model = VariationalPerturbativeMHD(linear=True, crank_nicolson=True) linear_model_hdiv = VariationalPerturbativeMHD(linear=True, crank_nicolson=True, u_space="Hdiv") model_hdiv = VariationalPerturbativeMHD(u_space="Hdiv") model.mhd.pressure model.em_fields.b_field """
[docs] @classmethod def doc_use_cases(cls): r"""This model is appropriate for: - perturbative nonlinear MHD around a prescribed equilibrium - linear MHD waves and instabilities (``linear=True``) - comparing linear and perturbative variational formulations - comparing the variational linear MHD with the velocity in :math:`H(\textnormal{div})` (``u_space="Hdiv"``) with :class:`~struphy.models.linear_mhd.LinearMHD` - perturbative nonlinear MHD in toroidal geometries with the velocity in :math:`H(\textnormal{div})` (``u_space="Hdiv"``), whose wall condition is only :math:`\mathbf u \cdot \mathbf n = 0`"""
[docs] @classmethod def doc_cannot_be_used_for(cls): r"""This model is not suitable for: - full-f MHD evolution without a reference equilibrium - kinetic or particle-resolved plasma effects - entropy- or q-based thermodynamic formulations"""