"""Material-conditioned DENIM constitutive core. The module retains the small-strain elastic/J2/associative-flow return map used by DENIM and conditions only the unknown hardening closure on a compact material descriptor. It deliberately does not encode the closed-form J2 or Chaboche hardening equations. """ from __future__ import annotations from dataclasses import dataclass import torch from torch import nn from torch.nn import functional as F from src.t2_graybox_discrete_energy import ( GrayboxState, deviatoric, double_contract, elastic_stress, initial_state, von_mises, ) DESCRIPTOR_NAMES = ( "young_scaled", "poisson", "yield_scaled", "linear_isotropic_scaled", "backstress_c1_scaled", "backstress_gamma1_scaled", "backstress_c2_scaled", "backstress_gamma2_scaled", "isotropic_saturation_scaled", "isotropic_rate_scaled", "family_j2", "family_chaboche", "family_incomplete", ) def material_descriptor(parameters: dict[str, float | str]) -> torch.Tensor: """Build a dimensionless descriptor without exposing hidden DENIM laws.""" family = str(parameters["material_model"]) indicators = { "j2_linear_isotropic": (1.0, 0.0, 0.0), "chaboche_combined": (0.0, 1.0, 0.0), "hidden_three_memory_tabulated_hardening": (0.0, 0.0, 1.0), } if family not in indicators: raise ValueError(f"Unsupported material family: {family}") # The incomplete family exposes only E, nu and initial yield stress. The # zero entries are intentional, not missing-data imputation. hidden = family == "hidden_three_memory_tabulated_hardening" value = ( float(parameters["young_pa"]) / 200.0e9, float(parameters["poisson"]), float(parameters["yield_stress_pa"]) / 300.0e6, 0.0 if hidden else float(parameters.get("hardening_modulus_pa", 0.0)) / 5.0e9, 0.0 if hidden else float(parameters.get("backstress_c1_pa", 0.0)) / 30.0e9, 0.0 if hidden else float(parameters.get("backstress_gamma1", 0.0)) / 80.0, 0.0 if hidden else float(parameters.get("backstress_c2_pa", 0.0)) / 10.0e9, 0.0 if hidden else float(parameters.get("backstress_gamma2", 0.0)) / 20.0, 0.0 if hidden else float(parameters.get("isotropic_saturation_pa", 0.0)) / 100.0e6, 0.0 if hidden else float(parameters.get("isotropic_rate", 0.0)) / 10.0, *indicators[family], ) return torch.tensor(value, dtype=torch.float32) class MaterialEncoder(nn.Module): def __init__(self, descriptor_size: int = len(DESCRIPTOR_NAMES), hidden: int = 32): super().__init__() self.network = nn.Sequential( nn.Linear(descriptor_size, hidden), nn.SiLU(), nn.Linear(hidden, hidden), nn.SiLU(), ) def forward(self, descriptor: torch.Tensor) -> torch.Tensor: return self.network(descriptor) class ConditionalIsotropicHardening(nn.Module): """Descriptor-conditioned, zero-anchored monotone hardening curve.""" def __init__(self, embedding: int = 32, neurons: int = 12, plastic_scale: float = 0.01): super().__init__() self.neurons = int(neurons) self.plastic_scale = float(plastic_scale) self.parameter_head = nn.Linear(embedding, 2 * neurons + 1) def _positive_parameters( self, embedding: torch.Tensor ) -> tuple[torch.Tensor, torch.Tensor, torch.Tensor]: raw = self.parameter_head(embedding) weight = 0.45 * torch.sigmoid(raw[..., : self.neurons]) slope = F.softplus(raw[..., self.neurons : 2 * self.neurons]) + 1.0e-5 linear = 0.60 * torch.sigmoid(raw[..., -1]) return weight, slope, linear def forward( self, peeq: torch.Tensor, stress_scale: torch.Tensor, embedding: torch.Tensor, ) -> torch.Tensor: weight, slope, linear = self._positive_parameters(embedding) coordinate = peeq[..., None] / self.plastic_scale saturation = -torch.expm1(-slope * coordinate) dimensionless = linear * coordinate.squeeze(-1) + (weight * saturation).sum(dim=-1) return stress_scale * dimensionless class ConditionalDENIM(nn.Module): """Shared neural hardening closure conditioned on material metadata.""" def __init__(self, channels: int = 2, embedding: int = 32, hidden: int = 48): super().__init__() self.channels = int(channels) self.encoder = MaterialEncoder(hidden=embedding) self.isotropic = ConditionalIsotropicHardening(embedding=embedding) self.modulus_head = nn.Sequential( nn.Linear(embedding, hidden), nn.SiLU(), nn.Linear(hidden, channels) ) state_size = 3 + 3 * channels + embedding self.recovery = nn.Sequential( nn.Linear(state_size, hidden), nn.SiLU(), nn.Linear(hidden, hidden), nn.SiLU(), nn.Linear(hidden, channels), ) def encode(self, descriptor: torch.Tensor) -> torch.Tensor: return self.encoder(descriptor) def moduli(self, stress_scale: torch.Tensor, embedding: torch.Tensor) -> torch.Tensor: # 0--400 times the initial yield stress covers the synthetic families # while retaining a bounded, nonnegative kinematic modulus. return 400.0 * stress_scale[..., None] * torch.sigmoid(self.modulus_head(embedding)) def isotropic_radius( self, peeq: torch.Tensor, stress_scale: torch.Tensor, embedding: torch.Tensor, ) -> torch.Tensor: return self.isotropic(peeq, stress_scale, embedding) def update_memories( self, state: GrayboxState, flow_direction: torch.Tensor, increment: torch.Tensor, stress_scale: torch.Tensor, embedding: torch.Tensor, ) -> tuple[torch.Tensor, torch.Tensor, torch.Tensor]: radius = self.isotropic_radius(state.peeq, stress_scale, embedding) old_norm = torch.sqrt(torch.clamp(double_contract(state.previous_flow, state.previous_flow), min=0.0)) current_norm = torch.sqrt(torch.clamp(double_contract(flow_direction, flow_direction), min=0.0)) reversal = double_contract(state.previous_flow, flow_direction) / ( old_norm * current_norm ).clamp_min(1.0e-12) scale = stress_scale.clamp_min(1.0) norms = torch.sqrt(torch.clamp(double_contract(state.memories, state.memories), min=0.0)) / scale[..., None] projections = double_contract(state.memories, flow_direction[..., None, :]) / scale[..., None] cross = torch.zeros_like(norms) if self.channels > 1: for index in range(self.channels): other = (index + 1) % self.channels cross[..., index] = double_contract( state.memories[..., index, :], state.memories[..., other, :] ) / scale.square() scalars = torch.stack((state.peeq / 0.05, radius / scale, reversal), dim=-1) features = torch.cat((scalars, norms, projections, cross, embedding), dim=-1) recovery = 250.0 * torch.sigmoid(self.recovery(features)) + 1.0e-7 moduli = self.moduli(stress_scale, embedding) numerator = state.memories + ( (2.0 / 3.0) * moduli[..., :, None] * increment[..., None, None] * flow_direction[..., None, :] ) denominator = 1.0 + recovery * increment[..., None] return numerator / denominator[..., None], recovery, moduli def _candidate_update( trial_deviatoric: torch.Tensor, state: GrayboxState, increment: torch.Tensor, shear: torch.Tensor, yield_stress: torch.Tensor, embedding: torch.Tensor, law: ConditionalDENIM, *, direction_iterations: int = 6, ) -> tuple[torch.Tensor, torch.Tensor, torch.Tensor, torch.Tensor, torch.Tensor]: shifted = trial_deviatoric - state.backstress direction = 1.5 * shifted / von_mises(shifted).clamp_min(1.0)[..., None] memories = state.memories recovery = moduli = None for _ in range(direction_iterations): memories, recovery, moduli = law.update_memories( state, direction, increment, yield_stress, embedding ) denominator = 1.0 + recovery * increment[..., None] effective = trial_deviatoric - ( state.memories / denominator[..., None] ).sum(dim=-2) direction = 1.5 * effective / von_mises(effective).clamp_min(1.0)[..., None] memories, recovery, moduli = law.update_memories( state, direction, increment, yield_stress, embedding ) denominator = 1.0 + recovery * increment[..., None] effective = trial_deviatoric - (state.memories / denominator[..., None]).sum(dim=-2) radius = yield_stress + law.isotropic_radius( state.peeq + increment, yield_stress, embedding ) effective_modulus = 3.0 * shear + (moduli / denominator).sum(dim=-1) residual = von_mises(effective) - effective_modulus * increment - radius return residual, direction, memories, recovery, moduli def advance( strain: torch.Tensor, state: GrayboxState, young: torch.Tensor, poisson: torch.Tensor, yield_stress: torch.Tensor, descriptor: torch.Tensor, law: ConditionalDENIM, *, bisection_iterations: int = 24, direction_iterations: int = 6, ) -> tuple[torch.Tensor, GrayboxState, dict[str, torch.Tensor]]: embedding = law.encode(descriptor) trial = elastic_stress(strain, state.plastic_strain, young, poisson) trial_deviatoric = deviatoric(trial) shifted = trial_deviatoric - state.backstress old_radius = yield_stress + law.isotropic_radius(state.peeq, yield_stress, embedding) trial_function = von_mises(shifted) - old_radius plastic = trial_function > yield_stress.clamp_min(1.0) * 1.0e-12 shear = young / (2.0 * (1.0 + poisson)) lower = torch.zeros_like(trial_function) upper = 2.0 * F.relu(trial_function) / (3.0 * shear).clamp_min(1.0) + 1.0e-14 for _ in range(16): residual, *_ = _candidate_update( trial_deviatoric, state, upper, shear, yield_stress, embedding, law, direction_iterations=direction_iterations, ) upper = torch.where(plastic & (residual > 0.0), 2.0 * upper, upper) for _ in range(bisection_iterations): middle = 0.5 * (lower + upper) residual, *_ = _candidate_update( trial_deviatoric, state, middle, shear, yield_stress, embedding, law, direction_iterations=direction_iterations, ) lower = torch.where(plastic & (residual > 0.0), middle, lower) upper = torch.where(plastic & (residual <= 0.0), middle, upper) increment = torch.where(plastic, 0.5 * (lower + upper), torch.zeros_like(lower)) residual, direction, memories, recovery, moduli = _candidate_update( trial_deviatoric, state, increment, shear, yield_stress, embedding, law, direction_iterations=direction_iterations, ) direction = torch.where(plastic[..., None], direction, torch.zeros_like(direction)) memories = torch.where(plastic[..., None, None], memories, state.memories) updated = GrayboxState( plastic_strain=state.plastic_strain + increment[..., None] * direction, peeq=state.peeq + increment, memories=memories, previous_flow=torch.where(plastic[..., None], direction, state.previous_flow), ) stress = elastic_stress(strain, updated.plastic_strain, young, poisson) return stress, updated, { "plastic_increment": increment, "yield_residual": torch.where(plastic, residual, torch.zeros_like(residual)), "recovery": recovery, "moduli": moduli, "plastic": plastic, } def rollout( strain: torch.Tensor, young: torch.Tensor, poisson: torch.Tensor, yield_stress: torch.Tensor, descriptor: torch.Tensor, law: ConditionalDENIM, *, bisection_iterations: int = 24, ) -> dict[str, torch.Tensor]: batch, points, _ = strain.shape state = initial_state(batch, channels=law.channels, dtype=strain.dtype, device=strain.device) result: dict[str, list[torch.Tensor]] = { name: [] for name in ( "stress", "plastic_strain", "peeq", "memories", "plastic_increment", "yield_residual", "recovery", "moduli", ) } for point in range(points): stress, state, diagnostics = advance( strain[:, point], state, young, poisson, yield_stress, descriptor, law, bisection_iterations=bisection_iterations, ) result["stress"].append(stress) result["plastic_strain"].append(state.plastic_strain) result["peeq"].append(state.peeq) result["memories"].append(state.memories) for name in ("plastic_increment", "yield_residual", "recovery", "moduli"): result[name].append(diagnostics[name]) return {name: torch.stack(values, dim=1) for name, values in result.items()} __all__ = [ "ConditionalDENIM", "DESCRIPTOR_NAMES", "advance", "material_descriptor", "rollout", ]