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31.7 kB
| """Generate the T2 material-loading-memory pilot dataset. | |
| The sample unit is one complete material-point trajectory. Time frames are not | |
| counted as independent samples. The pilot deliberately keeps J2 linear | |
| isotropic hardening and Chaboche combined hardening as separate model labels. | |
| """ | |
| from __future__ import annotations | |
| import argparse | |
| import hashlib | |
| import json | |
| import os | |
| import platform | |
| import time | |
| from pathlib import Path | |
| import h5py | |
| import matplotlib | |
| matplotlib.use("Agg") | |
| import matplotlib.pyplot as plt | |
| import numpy as np | |
| from scipy.stats import qmc | |
| import agentfem | |
| from agentfem import campaigns, constitutive | |
| ROOT = Path(__file__).resolve().parents[1] | |
| CONFIG_PATH = ROOT / "configs" / "t2_material_loading_memory_pilot.json" | |
| DATA_DIR = ROOT / "data" / "t2_material_loading_memory_pilot" | |
| ARTIFACT_DIR = ROOT / "artifacts" / "t2_material_loading_memory_pilot" | |
| DATA_PATH = DATA_DIR / "t2_material_loading_memory_pilot.h5" | |
| DESIGN_PATH = DATA_DIR / "design.jsonl" | |
| INDEX_PATH = DATA_DIR / "index.jsonl" | |
| AGENTFEM_COMMIT = "058faecc05aeda143d014fd229401003a9258bbb" | |
| MATERIAL_MODELS = ("j2_linear_isotropic", "chaboche_combined") | |
| PATH_FAMILIES = ( | |
| "monotonic_tension", | |
| "unload_reload", | |
| "tension_compression", | |
| "symmetric_cyclic", | |
| "mean_shifted_cyclic", | |
| "variable_amplitude", | |
| ) | |
| def load_config() -> dict[str, object]: | |
| return json.loads(CONFIG_PATH.read_text(encoding="utf-8")) | |
| def _scale(value: float, bounds: list[float]) -> float: | |
| return float(bounds[0] + value * (bounds[1] - bounds[0])) | |
| def design_parameters(seed: int | None = None) -> tuple[dict[str, object], ...]: | |
| """Return a deterministic balanced 96-trajectory Sobol design.""" | |
| config = load_config() | |
| actual_seed = int(config["seed"] if seed is None else seed) | |
| ranges = config["ranges"] | |
| unit = qmc.Sobol(12, scramble=True, seed=actual_seed).random_base2(7) | |
| rows: list[dict[str, object]] = [] | |
| cursor = 0 | |
| for material_model in MATERIAL_MODELS: | |
| for path_family in PATH_FAMILIES: | |
| for replicate in range(8): | |
| u = unit[cursor] | |
| cursor += 1 | |
| row: dict[str, object] = { | |
| "material_model": material_model, | |
| "path_family": path_family, | |
| "replicate": replicate, | |
| "young_pa": _scale(u[0], ranges["young_pa"]), | |
| "poisson": _scale(u[1], ranges["poisson"]), | |
| "yield_stress_pa": _scale(u[2], ranges["yield_stress_pa"]), | |
| "maximum_equivalent_strain": _scale( | |
| u[3], ranges["maximum_equivalent_strain"] | |
| ), | |
| "path_shape_a": float(u[10]), | |
| "path_shape_b": float(u[11]), | |
| } | |
| if material_model == "j2_linear_isotropic": | |
| row.update( | |
| { | |
| "hardening_modulus_pa": _scale( | |
| u[4], ranges["j2_hardening_modulus_pa"] | |
| ), | |
| "backstress_c1_pa": 0.0, | |
| "backstress_gamma1": 0.0, | |
| "backstress_c2_pa": 0.0, | |
| "backstress_gamma2": 0.0, | |
| "isotropic_saturation_pa": 0.0, | |
| "isotropic_rate": 0.0, | |
| } | |
| ) | |
| else: | |
| row.update( | |
| { | |
| "hardening_modulus_pa": 0.0, | |
| "backstress_c1_pa": _scale( | |
| u[4], ranges["chaboche_c1_pa"] | |
| ), | |
| "backstress_gamma1": _scale( | |
| u[5], ranges["chaboche_gamma1"] | |
| ), | |
| "backstress_c2_pa": _scale( | |
| u[6], ranges["chaboche_c2_pa"] | |
| ), | |
| "backstress_gamma2": _scale( | |
| u[7], ranges["chaboche_gamma2"] | |
| ), | |
| "isotropic_saturation_pa": _scale( | |
| u[8], ranges["chaboche_isotropic_saturation_pa"] | |
| ), | |
| "isotropic_rate": _scale( | |
| u[9], ranges["chaboche_isotropic_rate"] | |
| ), | |
| } | |
| ) | |
| rows.append(row) | |
| if len(rows) != int(config["sample_count"]): | |
| raise RuntimeError("T2 design size differs from the frozen configuration.") | |
| return tuple(rows) | |
| def case_identity(parameters: dict[str, object]) -> str: | |
| return campaigns.case_id("t2_material_loading_memory_pilot", parameters) | |
| def split_assignments(parameters: tuple[dict[str, object], ...]) -> dict[int, str]: | |
| """Create 6/1/1 train/validation/test splits within every stratum.""" | |
| seed = int(load_config()["seed"]) | |
| result: dict[int, str] = {} | |
| for model_index, material_model in enumerate(MATERIAL_MODELS): | |
| for path_index, path_family in enumerate(PATH_FAMILIES): | |
| members = np.asarray( | |
| [ | |
| index | |
| for index, row in enumerate(parameters) | |
| if row["material_model"] == material_model | |
| and row["path_family"] == path_family | |
| ], | |
| dtype=int, | |
| ) | |
| rng = np.random.default_rng(seed + 100 * model_index + path_index) | |
| members = rng.permutation(members) | |
| for index in members[:6]: | |
| result[int(index)] = "train" | |
| result[int(members[6])] = "validation" | |
| result[int(members[7])] = "test" | |
| return result | |
| def path_anchors(parameters: dict[str, object]) -> np.ndarray: | |
| """Return signed equivalent-deviatoric-strain control points.""" | |
| amplitude = float(parameters["maximum_equivalent_strain"]) | |
| a = float(parameters["path_shape_a"]) | |
| b = float(parameters["path_shape_b"]) | |
| family = str(parameters["path_family"]) | |
| if family == "monotonic_tension": | |
| values = (0.0, amplitude) | |
| elif family == "unload_reload": | |
| unload = amplitude * (-0.25 + 0.60 * a) | |
| reload = amplitude * (0.85 + 0.30 * b) | |
| values = (0.0, amplitude, unload, reload) | |
| elif family == "tension_compression": | |
| reverse = -amplitude * (0.70 + 0.45 * a) | |
| values = (0.0, amplitude, reverse) | |
| elif family == "symmetric_cyclic": | |
| values = (0.0, amplitude, -amplitude, amplitude, -amplitude, amplitude) | |
| elif family == "mean_shifted_cyclic": | |
| lower = -amplitude * (0.25 + 0.40 * a) | |
| upper = amplitude * (0.90 + 0.10 * b) | |
| values = (0.0, upper, lower, upper, lower, upper) | |
| elif family == "variable_amplitude": | |
| first_reverse = -amplitude * (0.55 + 0.30 * a) | |
| second_reverse = -amplitude * (0.25 + 0.35 * b) | |
| values = ( | |
| 0.0, | |
| 0.45 * amplitude, | |
| first_reverse, | |
| amplitude, | |
| second_reverse, | |
| 0.75 * amplitude, | |
| -amplitude, | |
| 0.20 * amplitude, | |
| ) | |
| else: | |
| raise ValueError(f"Unknown path family: {family}") | |
| return np.asarray(values, dtype=float) | |
| def prescribed_history( | |
| parameters: dict[str, object], *, points: int | None = None | |
| ) -> tuple[np.ndarray, np.ndarray, np.ndarray]: | |
| """Return a path that samples every reversal anchor exactly. | |
| The 241-point refinement doubles the interval count of every 121-point | |
| segment. Therefore every coarse state is present at ``fine[::2]`` and the | |
| refinement audit measures constitutive integration, not a missed path | |
| extremum. | |
| """ | |
| base_count = int(load_config()["points_per_trajectory"]) | |
| count = int(base_count if points is None else points) | |
| if count < 3 or count % 2 == 0: | |
| raise ValueError("points must be an odd integer of at least three.") | |
| anchors = path_anchors(parameters) | |
| segments = len(anchors) - 1 | |
| def allocated(intervals: int) -> np.ndarray: | |
| if intervals < segments: | |
| raise ValueError("points must provide at least one interval per segment.") | |
| values = np.full(segments, intervals // segments, dtype=int) | |
| values[: intervals % segments] += 1 | |
| return values | |
| base_segments = allocated(base_count - 1) | |
| if (count - 1) % (base_count - 1) == 0: | |
| segment_intervals = base_segments * ((count - 1) // (base_count - 1)) | |
| else: | |
| segment_intervals = allocated(count - 1) | |
| pieces: list[np.ndarray] = [] | |
| for index, intervals in enumerate(segment_intervals): | |
| values = np.linspace(anchors[index], anchors[index + 1], intervals + 1) | |
| pieces.append(values if index == 0 else values[1:]) | |
| scalar_strain = np.concatenate(pieces) | |
| if len(scalar_strain) != count: | |
| raise RuntimeError("Piecewise path allocation produced the wrong point count.") | |
| time_coordinate = np.linspace(0.0, 1.0, count) | |
| return time_coordinate, scalar_strain, anchors | |
| def _strain_tensor(signed_equivalent_strain: float) -> np.ndarray: | |
| value = float(signed_equivalent_strain) | |
| return np.diag((value, -0.5 * value, -0.5 * value)) | |
| def _material(parameters: dict[str, object]): | |
| if parameters["material_model"] == "j2_linear_isotropic": | |
| return constitutive.J2LinearIsotropicHardening( | |
| young=float(parameters["young_pa"]), | |
| poisson=float(parameters["poisson"]), | |
| yield_stress=float(parameters["yield_stress_pa"]), | |
| hardening_modulus=float(parameters["hardening_modulus_pa"]), | |
| ) | |
| return constitutive.chaboche( | |
| young=float(parameters["young_pa"]), | |
| poisson=float(parameters["poisson"]), | |
| yield_stress=float(parameters["yield_stress_pa"]), | |
| backstresses=( | |
| ( | |
| float(parameters["backstress_c1_pa"]), | |
| float(parameters["backstress_gamma1"]), | |
| ), | |
| ( | |
| float(parameters["backstress_c2_pa"]), | |
| float(parameters["backstress_gamma2"]), | |
| ), | |
| ), | |
| isotropic_saturation=float(parameters["isotropic_saturation_pa"]), | |
| isotropic_rate=float(parameters["isotropic_rate"]), | |
| ) | |
| def solve_trajectory( | |
| parameters: dict[str, object], *, points: int | None = None | |
| ) -> tuple[dict[str, np.ndarray], dict[str, float | int | bool]]: | |
| """Integrate one committed material-point path through AgentFEM.""" | |
| time_coordinate, scalar_strain, anchors = prescribed_history( | |
| parameters, points=points | |
| ) | |
| material = _material(parameters) | |
| count = len(time_coordinate) | |
| total_strain = np.empty((count, 3, 3), dtype=float) | |
| stress = np.empty((count, 3, 3), dtype=float) | |
| plastic_strain = np.empty((count, 3, 3), dtype=float) | |
| peeq = np.empty(count, dtype=float) | |
| signed_stress = np.empty(count, dtype=float) | |
| mises = np.empty(count, dtype=float) | |
| shifted_mises = np.empty(count, dtype=float) | |
| yield_radius = np.empty(count, dtype=float) | |
| trial_yield = np.empty(count, dtype=float) | |
| plastic_increment = np.empty(count, dtype=float) | |
| elastic = np.empty(count, dtype=np.uint8) | |
| backstress = np.zeros((count, 3, 3), dtype=float) | |
| backstress_components = np.zeros((count, 2, 3, 3), dtype=float) | |
| state = None | |
| for index, value in enumerate(scalar_strain): | |
| strain = _strain_tensor(value) | |
| update = material.update(strain, state) | |
| state = update.state | |
| total_strain[index] = strain | |
| stress[index] = update.stress | |
| plastic_strain[index] = state.plastic_strain | |
| peeq[index] = state.equivalent_plastic_strain | |
| signed_stress[index] = update.stress[0, 0] - update.stress[1, 1] | |
| mises[index] = constitutive.von_mises(update.stress) | |
| trial_yield[index] = update.yield_function_trial | |
| plastic_increment[index] = update.plastic_multiplier_increment | |
| elastic[index] = np.uint8(update.elastic) | |
| if parameters["material_model"] == "chaboche_combined": | |
| backstress[index] = state.total_backstress | |
| backstress_components[index] = state.backstresses | |
| shifted_mises[index] = constitutive.von_mises( | |
| update.stress - backstress[index] | |
| ) | |
| yield_radius[index] = material.current_yield_stress(peeq[index]) | |
| plastic_work_increment = np.zeros(count, dtype=float) | |
| external_work_increment = np.zeros(count, dtype=float) | |
| for index in range(1, count): | |
| mean_stress = 0.5 * (stress[index] + stress[index - 1]) | |
| plastic_work_increment[index] = float( | |
| np.tensordot( | |
| mean_stress, | |
| plastic_strain[index] - plastic_strain[index - 1], | |
| ) | |
| ) | |
| external_work_increment[index] = float( | |
| np.tensordot( | |
| mean_stress, | |
| total_strain[index] - total_strain[index - 1], | |
| ) | |
| ) | |
| arrays = { | |
| "time_coordinate": time_coordinate, | |
| "path_anchors": anchors, | |
| "signed_equivalent_strain": scalar_strain, | |
| "total_strain": total_strain, | |
| "stress_pa": stress, | |
| "signed_equivalent_stress_pa": signed_stress, | |
| "mises_stress_pa": mises, | |
| "plastic_strain": plastic_strain, | |
| "equivalent_plastic_strain": peeq, | |
| "plastic_multiplier_increment": plastic_increment, | |
| "elastic_step": elastic, | |
| "trial_yield_function_pa": trial_yield, | |
| "yield_radius_pa": yield_radius, | |
| "shifted_mises_stress_pa": shifted_mises, | |
| "backstress_pa": backstress, | |
| "backstress_components_pa": backstress_components, | |
| "plastic_work_increment_j_m3": plastic_work_increment, | |
| "cumulative_plastic_work_j_m3": np.cumsum(plastic_work_increment), | |
| "external_work_increment_j_m3": external_work_increment, | |
| "cumulative_external_work_j_m3": np.cumsum(external_work_increment), | |
| } | |
| plastic_mask = plastic_increment > 0.0 | |
| zero_strain_mask = np.abs(scalar_strain) <= 1.0e-14 | |
| residual = np.abs(shifted_mises - yield_radius) / np.maximum( | |
| yield_radius, 1.0 | |
| ) | |
| metrics: dict[str, float | int | bool] = { | |
| "maximum_absolute_stress_pa": float(np.max(np.abs(signed_stress))), | |
| "final_equivalent_plastic_strain": float(peeq[-1]), | |
| "maximum_equivalent_plastic_strain": float(np.max(peeq)), | |
| "final_cumulative_plastic_work_j_m3": float( | |
| np.sum(plastic_work_increment) | |
| ), | |
| "plastic_step_count": int(np.count_nonzero(plastic_mask)), | |
| "maximum_plastic_strain_trace": float( | |
| np.max(np.abs(np.trace(plastic_strain, axis1=1, axis2=2))) | |
| ), | |
| "maximum_yield_surface_relative_residual": float( | |
| np.max(residual[plastic_mask]) if np.any(plastic_mask) else 0.0 | |
| ), | |
| "minimum_peeq_increment": float(np.min(np.diff(peeq))), | |
| "minimum_plastic_work_increment_j_m3": float( | |
| np.min(plastic_work_increment) | |
| ), | |
| "zero_strain_stress_range_pa": float( | |
| np.ptp(signed_stress[zero_strain_mask]) | |
| if np.count_nonzero(zero_strain_mask) >= 2 | |
| else 0.0 | |
| ), | |
| "all_finite": bool( | |
| all(np.all(np.isfinite(value)) for value in arrays.values()) | |
| ), | |
| } | |
| return arrays, metrics | |
| def _j2_monotonic_reference(parameters: dict[str, object]) -> tuple[float, float]: | |
| strain = float(parameters["maximum_equivalent_strain"]) | |
| young = float(parameters["young_pa"]) | |
| poisson = float(parameters["poisson"]) | |
| shear = young / (2.0 * (1.0 + poisson)) | |
| yield_stress = float(parameters["yield_stress_pa"]) | |
| hardening = float(parameters["hardening_modulus_pa"]) | |
| trial = 3.0 * shear * strain | |
| increment = max(0.0, (trial - yield_stress) / (3.0 * shear + hardening)) | |
| return yield_stress + hardening * increment, increment | |
| def _sha256(path: Path) -> str: | |
| digest = hashlib.sha256() | |
| with path.open("rb") as stream: | |
| for block in iter(lambda: stream.read(1024 * 1024), b""): | |
| digest.update(block) | |
| return digest.hexdigest() | |
| def _write_json_atomic(path: Path, value: object) -> None: | |
| temporary = path.with_suffix(path.suffix + ".tmp") | |
| temporary.write_text( | |
| json.dumps(value, indent=2, sort_keys=True) + "\n", encoding="utf-8" | |
| ) | |
| os.replace(temporary, path) | |
| def _write_jsonl_atomic(path: Path, rows: list[dict[str, object]]) -> None: | |
| temporary = path.with_suffix(path.suffix + ".tmp") | |
| with temporary.open("w", encoding="utf-8") as stream: | |
| for row in rows: | |
| stream.write(json.dumps(row, sort_keys=True) + "\n") | |
| os.replace(temporary, path) | |
| def _quality_failures( | |
| parameters: tuple[dict[str, object], ...], | |
| records: list[dict[str, object]], | |
| refinements: list[dict[str, object]], | |
| ) -> list[dict[str, object]]: | |
| thresholds = load_config()["quality_thresholds"] | |
| failures: list[dict[str, object]] = [] | |
| for index, (row, record) in enumerate(zip(parameters, records, strict=True)): | |
| metrics = record["metrics"] | |
| checks = { | |
| "all_finite": bool(metrics["all_finite"]), | |
| "initial_stress": abs(float(record["initial_signed_stress_pa"])) | |
| <= thresholds["initial_stress_pa"], | |
| "plastic_incompressibility": metrics["maximum_plastic_strain_trace"] | |
| <= thresholds["plastic_strain_trace"], | |
| "peeq_monotone": metrics["minimum_peeq_increment"] | |
| >= -thresholds["equivalent_plastic_strain_decrease"], | |
| "yield_surface": metrics["maximum_yield_surface_relative_residual"] | |
| <= thresholds["yield_surface_relative_residual"], | |
| "positive_total_plastic_work": metrics[ | |
| "final_cumulative_plastic_work_j_m3" | |
| ] | |
| > thresholds["final_plastic_work_minimum_j_m3"], | |
| "plastic_excitation": metrics["plastic_step_count"] > 0, | |
| } | |
| if row["material_model"] == "j2_linear_isotropic": | |
| checks["j2_nonnegative_plastic_work_increment"] = metrics[ | |
| "minimum_plastic_work_increment_j_m3" | |
| ] >= -thresholds["j2_plastic_work_negative_tolerance_j_m3"] | |
| if ( | |
| row["material_model"] == "j2_linear_isotropic" | |
| and row["path_family"] == "monotonic_tension" | |
| ): | |
| checks["j2_analytical"] = ( | |
| record["j2_analytical_relative_error"] | |
| <= thresholds["j2_monotonic_analytical_relative_error"] | |
| ) | |
| if row["path_family"] == "symmetric_cyclic": | |
| checks["history_memory_contrast"] = metrics[ | |
| "zero_strain_stress_range_pa" | |
| ] >= thresholds["zero_strain_memory_contrast_pa"] | |
| failed = sorted(name for name, passed in checks.items() if not passed) | |
| if failed: | |
| failures.append({"index": index, "failed_checks": failed}) | |
| for item in refinements: | |
| failed = [] | |
| if item["maximum_stress_relative_change"] > thresholds[ | |
| "refined_stress_relative_change" | |
| ]: | |
| failed.append("refined_stress") | |
| if item["maximum_peeq_relative_change"] > thresholds[ | |
| "refined_peeq_relative_change" | |
| ]: | |
| failed.append("refined_peeq") | |
| if failed: | |
| failures.append({"index": item["index"], "failed_checks": failed}) | |
| return failures | |
| def _plot_preview( | |
| parameters: tuple[dict[str, object], ...], | |
| stored: dict[int, dict[str, np.ndarray]], | |
| ) -> Path: | |
| ARTIFACT_DIR.mkdir(parents=True, exist_ok=True) | |
| fig, axes = plt.subplots(2, 3, figsize=(12.0, 7.2), constrained_layout=True) | |
| colors = {"j2_linear_isotropic": "#2563eb", "chaboche_combined": "#dc2626"} | |
| labels = {"j2_linear_isotropic": "J2 isotropic", "chaboche_combined": "Chaboche"} | |
| for axis, family in zip(axes.flat, PATH_FAMILIES, strict=True): | |
| for model in MATERIAL_MODELS: | |
| index = next( | |
| idx | |
| for idx, row in enumerate(parameters) | |
| if row["material_model"] == model | |
| and row["path_family"] == family | |
| and row["replicate"] == 0 | |
| ) | |
| arrays = stored[index] | |
| axis.plot( | |
| 100.0 * arrays["signed_equivalent_strain"], | |
| arrays["signed_equivalent_stress_pa"] / 1.0e6, | |
| color=colors[model], | |
| lw=1.8, | |
| label=labels[model], | |
| ) | |
| axis.axhline(0.0, color="#9ca3af", lw=0.6) | |
| axis.axvline(0.0, color="#9ca3af", lw=0.6) | |
| axis.set_title(family.replace("_", " ").title(), fontsize=10) | |
| axis.set_xlabel("Signed equivalent strain (%)") | |
| axis.set_ylabel("Signed equivalent stress (MPa)") | |
| axis.grid(alpha=0.22) | |
| axes.flat[0].legend(frameon=False, fontsize=9) | |
| fig.suptitle( | |
| "AgentFEM T2 pilot: path-dependent material memory\n" | |
| "Representative independent cases; J2 and Chaboche parameters are not matched.", | |
| fontsize=13, | |
| ) | |
| output = ARTIFACT_DIR / "hysteresis_preview.png" | |
| fig.savefig(output, dpi=180) | |
| plt.close(fig) | |
| return output | |
| def generate() -> dict[str, object]: | |
| config = load_config() | |
| parameters = design_parameters() | |
| splits = split_assignments(parameters) | |
| DATA_DIR.mkdir(parents=True, exist_ok=True) | |
| ARTIFACT_DIR.mkdir(parents=True, exist_ok=True) | |
| design_rows: list[dict[str, object]] = [] | |
| records: list[dict[str, object]] = [] | |
| stored: dict[int, dict[str, np.ndarray]] = {} | |
| started = time.perf_counter() | |
| temporary = DATA_PATH.with_suffix(".h5.tmp") | |
| with h5py.File(temporary, "w") as h5: | |
| h5.attrs["schema"] = config["schema"] | |
| h5.attrs["schema_version"] = config["schema_version"] | |
| h5.attrs["dataset_version"] = config["dataset_version"] | |
| h5.attrs["agentfem_version"] = agentfem.__version__ | |
| h5.attrs["agentfem_commit"] = AGENTFEM_COMMIT | |
| h5.attrs["numpy_version"] = np.__version__ | |
| h5.attrs["python_version"] = platform.python_version() | |
| for index, row in enumerate(parameters): | |
| case_id = case_identity(row) | |
| split = splits[index] | |
| arrays, metrics = solve_trajectory(row) | |
| reference_error = 0.0 | |
| if ( | |
| row["material_model"] == "j2_linear_isotropic" | |
| and row["path_family"] == "monotonic_tension" | |
| ): | |
| reference_stress, reference_peeq = _j2_monotonic_reference(row) | |
| reference_error = max( | |
| abs(arrays["signed_equivalent_stress_pa"][-1] - reference_stress) | |
| / max(reference_stress, 1.0), | |
| abs(arrays["equivalent_plastic_strain"][-1] - reference_peeq) | |
| / max(reference_peeq, 1.0e-15), | |
| ) | |
| record: dict[str, object] = { | |
| "id": f"{index:05d}", | |
| "case_id": case_id, | |
| "split": split, | |
| "parameters": row, | |
| "metrics": metrics, | |
| "initial_signed_stress_pa": float( | |
| arrays["signed_equivalent_stress_pa"][0] | |
| ), | |
| "j2_analytical_relative_error": float(reference_error), | |
| } | |
| group = h5.create_group(f"{index:05d}") | |
| group.attrs["case_id"] = case_id | |
| group.attrs["split"] = split | |
| group.attrs["material_model"] = row["material_model"] | |
| group.attrs["path_family"] = row["path_family"] | |
| group.attrs["parameters_json"] = json.dumps(row, sort_keys=True) | |
| group.attrs["metrics_json"] = json.dumps(metrics, sort_keys=True) | |
| for name, value in arrays.items(): | |
| group.create_dataset(name, data=value, compression="gzip", shuffle=True) | |
| design_rows.append( | |
| { | |
| "id": f"{index:05d}", | |
| "case_id": case_id, | |
| "split": split, | |
| "parameters": row, | |
| } | |
| ) | |
| records.append(record) | |
| if row["replicate"] == 0: | |
| stored[index] = arrays | |
| os.replace(temporary, DATA_PATH) | |
| _write_jsonl_atomic(DESIGN_PATH, design_rows) | |
| _write_jsonl_atomic(INDEX_PATH, records) | |
| refinements: list[dict[str, object]] = [] | |
| for index, row in enumerate(parameters): | |
| if row["replicate"] != 0: | |
| continue | |
| coarse = stored[index] | |
| fine, _ = solve_trajectory(row, points=241) | |
| fine_stress = fine["signed_equivalent_stress_pa"][::2] | |
| fine_peeq = fine["equivalent_plastic_strain"][::2] | |
| stress_scale = max(float(np.max(np.abs(fine_stress))), 1.0) | |
| peeq_scale = max(float(np.max(fine_peeq)), 1.0e-15) | |
| refinements.append( | |
| { | |
| "index": index, | |
| "material_model": row["material_model"], | |
| "path_family": row["path_family"], | |
| "maximum_stress_relative_change": float( | |
| np.max( | |
| np.abs( | |
| coarse["signed_equivalent_stress_pa"] - fine_stress | |
| ) | |
| ) | |
| / stress_scale | |
| ), | |
| "maximum_peeq_relative_change": float( | |
| np.max( | |
| np.abs(coarse["equivalent_plastic_strain"] - fine_peeq) | |
| ) | |
| / peeq_scale | |
| ), | |
| } | |
| ) | |
| failures = _quality_failures(parameters, records, refinements) | |
| preview = _plot_preview(parameters, stored) | |
| summary = { | |
| "status": "accepted" if not failures else "rejected", | |
| "sample_count": len(parameters), | |
| "material_models": { | |
| model: sum(row["material_model"] == model for row in parameters) | |
| for model in MATERIAL_MODELS | |
| }, | |
| "path_families": { | |
| family: sum(row["path_family"] == family for row in parameters) | |
| for family in PATH_FAMILIES | |
| }, | |
| "splits": { | |
| name: sum(value == name for value in splits.values()) | |
| for name in ("train", "validation", "test") | |
| }, | |
| "all_case_ids_unique": len({case_identity(row) for row in parameters}) | |
| == len(parameters), | |
| "quality_failure_count": len(failures), | |
| "quality_failures": failures, | |
| "maximum_yield_surface_relative_residual": float( | |
| max( | |
| record["metrics"]["maximum_yield_surface_relative_residual"] | |
| for record in records | |
| ) | |
| ), | |
| "maximum_plastic_strain_trace": float( | |
| max( | |
| record["metrics"]["maximum_plastic_strain_trace"] | |
| for record in records | |
| ) | |
| ), | |
| "maximum_j2_analytical_relative_error": float( | |
| max(record["j2_analytical_relative_error"] for record in records) | |
| ), | |
| "minimum_symmetric_zero_strain_memory_contrast_pa": float( | |
| min( | |
| record["metrics"]["zero_strain_stress_range_pa"] | |
| for record in records | |
| if record["parameters"]["path_family"] == "symmetric_cyclic" | |
| ) | |
| ), | |
| "maximum_refined_stress_relative_change": float( | |
| max(item["maximum_stress_relative_change"] for item in refinements) | |
| ), | |
| "maximum_refined_peeq_relative_change": float( | |
| max(item["maximum_peeq_relative_change"] for item in refinements) | |
| ), | |
| "minimum_plastic_work_increment_j_m3": float( | |
| min( | |
| record["metrics"]["minimum_plastic_work_increment_j_m3"] | |
| for record in records | |
| ) | |
| ), | |
| "wall_seconds": float(time.perf_counter() - started), | |
| "data_file": str(DATA_PATH.relative_to(ROOT)), | |
| "data_bytes": DATA_PATH.stat().st_size, | |
| "data_sha256": _sha256(DATA_PATH), | |
| "preview": str(preview.relative_to(ROOT)), | |
| "agentfem_version": agentfem.__version__, | |
| "agentfem_commit": AGENTFEM_COMMIT, | |
| "refinement_audits": refinements, | |
| } | |
| _write_json_atomic(ARTIFACT_DIR / "quality.json", summary) | |
| report = f"""# T2 material-loading-memory pilot quality report | |
| Status: **{summary['status']}** | |
| Independent trajectories: {summary['sample_count']} | |
| Quality failures: {summary['quality_failure_count']} | |
| ## Coverage | |
| - J2 linear isotropic hardening: {summary['material_models']['j2_linear_isotropic']} | |
| - Chaboche combined hardening: {summary['material_models']['chaboche_combined']} | |
| - Six loading-path families: 16 trajectories each | |
| - Train/validation/test trajectories: 72/12/12 | |
| - Points per trajectory: {config['points_per_trajectory']} | |
| ## Verification | |
| - Maximum yield-surface relative residual: {summary['maximum_yield_surface_relative_residual']:.3e} | |
| - Maximum plastic-strain trace: {summary['maximum_plastic_strain_trace']:.3e} | |
| - Maximum J2 monotonic analytical relative error: {summary['maximum_j2_analytical_relative_error']:.3e} | |
| - Minimum repeated-zero-strain stress contrast in symmetric cycles: {summary['minimum_symmetric_zero_strain_memory_contrast_pa'] / 1.0e6:.3f} MPa | |
| - Maximum 121-to-241-point stress change: {summary['maximum_refined_stress_relative_change']:.3%} | |
| - Maximum 121-to-241-point PEEQ change: {summary['maximum_refined_peeq_relative_change']:.3%} | |
| - Minimum raw `stress:plastic-strain-increment` diagnostic: {summary['minimum_plastic_work_increment_j_m3']:.3e} J/m^3 | |
| - All case IDs unique: {summary['all_case_ids_unique']} | |
| The data are synthetic three-dimensional small-strain material-point histories under | |
| prescribed proportional deviatoric strain. They are not structural FEM fields, an | |
| experimental material calibration, or fatigue-life labels. Chaboche remains explicitly | |
| labelled as an experimental AgentFEM capability. For Chaboche, raw stress work on plastic | |
| strain is recorded but is not labelled as thermodynamic dissipation because the current | |
| material-point contract does not expose a complete backstress storage/recovery energy split. | |
|  | |
| """ | |
| (ARTIFACT_DIR / "QUALITY_REPORT.md").write_text(report, encoding="utf-8") | |
| print(json.dumps(summary, indent=2, sort_keys=True)) | |
| if failures: | |
| raise RuntimeError(f"T2 pilot failed {len(failures)} quality checks.") | |
| return summary | |
| def main() -> None: | |
| parser = argparse.ArgumentParser(description=__doc__) | |
| parser.add_argument( | |
| "--generate", action="store_true", help="Generate and verify the full pilot." | |
| ) | |
| parser.add_argument( | |
| "--design-only", action="store_true", help="Write only the frozen design." | |
| ) | |
| args = parser.parse_args() | |
| parameters = design_parameters() | |
| splits = split_assignments(parameters) | |
| if args.design_only: | |
| DATA_DIR.mkdir(parents=True, exist_ok=True) | |
| _write_jsonl_atomic( | |
| DESIGN_PATH, | |
| [ | |
| { | |
| "id": f"{index:05d}", | |
| "case_id": case_identity(row), | |
| "split": splits[index], | |
| "parameters": row, | |
| } | |
| for index, row in enumerate(parameters) | |
| ], | |
| ) | |
| print(DESIGN_PATH) | |
| return | |
| if args.generate: | |
| generate() | |
| return | |
| parser.error("Choose --generate or --design-only.") | |
| if __name__ == "__main__": | |
| main() | |