delta-theory 6.10.5__tar.gz → 8.1.0__tar.gz

delta_theory-8.1.0/PKG-INFO

@@ -0,0 +1,451 @@
+Metadata-Version: 2.4
+Name: delta-theory
+Version: 8.1.0
+Summary: Unified materials strength and fatigue prediction based on geometric first principles
+Author: Tamaki
+Author-email: Masamichi Iizumi <m.iizumi@miosync.email>
+Maintainer-email: Masamichi Iizumi <m.iizumi@miosync.email>
+License: MIT
+Project-URL: Homepage, https://github.com/miosync/delta-theory
+Project-URL: Documentation, https://github.com/miosync/delta-theory#readme
+Project-URL: Repository, https://github.com/miosync/delta-theory.git
+Project-URL: Issues, https://github.com/miosync/delta-theory/issues
+Project-URL: Changelog, https://github.com/miosync/delta-theory/blob/main/CHANGELOG.md
+Keywords: materials-science,fatigue,yield-strength,crystallography,delta-theory,physics,mechanical-engineering
+Classifier: Development Status :: 4 - Beta
+Classifier: Intended Audience :: Science/Research
+Classifier: License :: OSI Approved :: MIT License
+Classifier: Operating System :: OS Independent
+Classifier: Programming Language :: Python :: 3
+Classifier: Programming Language :: Python :: 3.9
+Classifier: Programming Language :: Python :: 3.10
+Classifier: Programming Language :: Python :: 3.11
+Classifier: Programming Language :: Python :: 3.12
+Classifier: Topic :: Scientific/Engineering :: Physics
+Classifier: Topic :: Scientific/Engineering :: Chemistry
+Requires-Python: >=3.9
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: numpy>=1.20.0
+Provides-Extra: dev
+Requires-Dist: pytest>=7.0.0; extra == "dev"
+Requires-Dist: pytest-cov>=4.0.0; extra == "dev"
+Requires-Dist: black>=23.0.0; extra == "dev"
+Requires-Dist: ruff>=0.1.0; extra == "dev"
+Requires-Dist: mypy>=1.0.0; extra == "dev"
+Provides-Extra: analysis
+Requires-Dist: scipy>=1.9.0; extra == "analysis"
+Requires-Dist: pandas>=1.5.0; extra == "analysis"
+Requires-Dist: matplotlib>=3.6.0; extra == "analysis"
+Provides-Extra: validation
+Requires-Dist: upstash-redis>=1.0.0; extra == "validation"
+Provides-Extra: app
+Requires-Dist: streamlit>=1.20.0; extra == "app"
+Provides-Extra: all
+Requires-Dist: delta-theory[analysis,app,dev,validation]; extra == "all"
+Dynamic: license-file
+
+# δ-Theory: Unified Materials Strength & Fatigue Framework
+
+<div align="center">
+
+**"Nature is Geometry"** — Predicting material properties from geometric first principles
+
+[![PyPI](https://img.shields.io/pypi/v/delta-theory.svg)](https://pypi.org/project/delta-theory/)
+[![License: MIT](https://img.shields.io/badge/License-MIT-blue.svg)](LICENSE)
+[![Python 3.9+](https://img.shields.io/badge/python-3.9+-blue.svg)](https://www.python.org/downloads/)
+[![Version](https://img.shields.io/badge/version-8.0.0-green.svg)](CHANGELOG.md)
+[![codecov](https://codecov.io/gh/miosync/delta-theory/branch/main/graph/badge.svg)](https://codecov.io/gh/miosync/delta-theory)
+
+</div>
+
+---
+
+## 🎯 Overview
+
+δ-Theory is a unified framework that predicts material properties from **crystal structure geometry**. Unlike traditional empirical fitting approaches, it derives material behavior from physical first principles.
+
+### Core Equation
+
+$$\Lambda = \frac{K}{|V|_{\text{eff}}}$$
+
+- **K**: Destructive energy density (stress, thermal, electromagnetic, etc.)
+- **|V|_eff**: Effective cohesive energy density (bond strength)
+- **Λ = 1**: Critical condition (fracture / phase transition)
+
+### What Can δ-Theory Predict?
+
+| Module | Predicts | Key Parameters | Accuracy |
+|--------|----------|----------------|----------|
+| **v5.0** | Yield stress σ_y | f_d, E_bond, crystal geometry | 2.6% |
+| **v6.10** | Fatigue life N | r_th (BCC=0.65, FCC=0.02, HCP=0.20) | 4-7% |
+| **v7.2** | Forming Limit Curve FLC(β) | Free volume consumption | 2.7% |
+| **v8.0** | Post-forming fatigue life | η_forming → r_th_eff | — |
+| **DBT** | Ductile-Brittle Transition | Grain size, segregation | — |
+
+---
+
+## 📦 Installation
+
+```bash
+pip install delta-theory
+```
+
+### From Source
+
+```bash
+git clone https://github.com/miosync/delta-theory.git
+cd delta-theory
+pip install -e .
+```
+
+---
+
+## 🚀 Quick Start
+
+### Yield Stress
+
+```python
+from core import calc_sigma_y, MATERIALS
+
+mat = MATERIALS['Fe']
+result = calc_sigma_y(mat, T_K=300)
+print(f"σ_y = {result['sigma_y']:.1f} MPa")
+```
+
+### Fatigue Life
+
+```python
+from core import fatigue_life_const_amp, MATERIALS
+
+result = fatigue_life_const_amp(
+    MATERIALS['Fe'],
+    sigma_a_MPa=150,
+    sigma_y_tension_MPa=200,
+)
+print(f"N_fail = {result['N_fail']:.2e} cycles")
+```
+
+### FLC Prediction (NEW in v8.0!)
+
+```python
+from core import FLCPredictor
+
+flc = FLCPredictor()
+for beta in [-0.5, 0.0, 1.0]:
+    Em = flc.predict(beta, 'SPCC')
+    print(f"β={beta:+.1f}: FLC = {Em:.3f}")
+```
+
+### Forming-Fatigue Integration (NEW in v8.0!)
+
+```python
+from core import FormingFatigueIntegrator
+
+integrator = FormingFatigueIntegrator()
+
+# After 40% free volume consumption from forming:
+r_th_eff = integrator.effective_r_th(eta_forming=0.40, structure='BCC')
+print(f"r_th: 0.65 → {r_th_eff:.3f}")  # Fatigue threshold drops!
+```
+
+---
+
+## 📦 Repository Structure
+
+```
+delta-theory/
+├── core/                              # 🔧 Main modules
+│   ├── unified_yield_fatigue_v6_9.py     # Unified yield + fatigue model
+│   ├── unified_flc_v7.py                 # ★ FLC + Forming-Fatigue (NEW!)
+│   ├── dbt_unified.py                    # DBT/DBTT prediction model
+│   ├── materials.py                      # Materials database
+│   └── fatigue_redis_api.py              # FatigueData-AM2022 API
+│
+├── apps/                              # 🖥️ Applications
+│   └── delta_fatigue_app.py              # Streamlit Web App
+│
+├── examples/                          # 📚 Usage examples
+└── tests/                             # 🧪 Tests
+```
+
+---
+
+## 🔬 Core Modules
+
+### 1. unified_yield_fatigue_v6_9.py
+
+**Unified v5.0 yield stress + v6.8 fatigue damage model**
+
+#### Yield Model (v5.0)
+
+$$\sigma_y = \sigma_{\text{base}}(\delta) + \Delta\sigma_{\text{ss}}(c) + \Delta\sigma_\rho(\varepsilon) + \Delta\sigma_{\text{ppt}}(r, f)$$
+
+| Component | Description | Accuracy |
+|-----------|-------------|----------|
+| σ_base | δ-theory base strength | Pure metals: 2.6% |
+| Δσ_ss | Solid solution strengthening | 1-2% |
+| Δσ_ρ | Work hardening (Taylor) | 4-7% |
+| Δσ_ppt | Precipitation strengthening (auto-switch) | Cutting/Orowan |
+
+#### Fatigue Model (v6.10)
+
+$$\frac{dD}{dN} = \begin{cases} 0 & (r \leq r_{th}) \\ A_{\text{eff}} \cdot (r - r_{th})^n & (r > r_{th}) \end{cases}$$
+
+**Structure Presets (No Fitting Required):**
+
+| Structure | r_th | n | Fatigue Limit | Representative Materials |
+|-----------|------|---|---------------|--------------------------|
+| BCC | 0.65 | 10 | ✅ Clear | Fe, W, Mo |
+| FCC | 0.02 | 7 | ❌ None | Cu, Al, Ni |
+| HCP | 0.20 | 9 | △ Intermediate | Ti, Mg, Zn |
+
+---
+
+### 2. unified_flc_v7.py (NEW in v8.0!)
+
+**FLC Prediction + Forming-Fatigue Integration**
+
+#### FLC Model (v7.2)
+
+$$\text{FLC}(\beta) = \text{FLC}_0^{\text{pure}} \times (1 - \eta_{\text{total}}) \times h(\beta, R, \tau/\sigma)$$
+
+| Parameter | Description |
+|-----------|-------------|
+| FLC₀_pure | Pure metal formability from δ-theory |
+| η_total | Free volume consumed by strengthening mechanisms |
+| h(β) | V-shape factor from multiaxial stress state |
+| R | Compression/tension ratio (twin effect for HCP) |
+| τ/σ | Shear/tension ratio |
+
+**Free Volume Consumption:**
+
+```
+η_total = η_ss + η_ppt + η_wh + η_HP
+        = k_ss×C_ss + k_ppt×f_ppt + k_wh×log(ρ/ρ_ref) + k_HP×(√(d_ref/d)-1)
+```
+
+**Why SPCC vs DP590 have different FLC:**
+
+| Material | Free Volume Remaining | FLC₀ |
+|----------|----------------------|------|
+| SPCC | 90.6% | 0.25 |
+| DP590 | 71.4% | 0.20 |
+
+#### Forming-Fatigue Integration (v8.0)
+
+**Revolutionary insight:** Forming consumes free volume → Less available for fatigue!
+
+$$r_{th}^{\text{eff}} = r_{th}^{\text{virgin}} \times (1 - \eta_{\text{forming}})$$
+
+| η_forming | r_th_eff (BCC) | Implication |
+|-----------|----------------|-------------|
+| 0% | 0.65 | Virgin material |
+| 20% | 0.52 | Some forming |
+| 40% | 0.39 | Heavy forming |
+| 60% | 0.26 | Severe forming |
+
+**Critical η:** The forming level where "infinite life" becomes "finite life"
+
+```python
+from core import critical_forming_consumption
+
+eta_crit = critical_forming_consumption(r_applied=0.50, structure='BCC')
+print(f"η_critical = {eta_crit*100:.1f}%")  # → 23.1%
+```
+
+---
+
+### 3. dbt_unified.py
+
+**Unified Ductile-Brittle Transition Temperature (DBTT) Prediction Model**
+
+| View | Fixed Axis | Solve For | Use Case |
+|------|------------|-----------|----------|
+| View 1 | Temperature T | Grain size d* | Ductile window detection |
+| View 2 | Grain size d | Temperature T* | DBTT prediction |
+| View 3 | d, T | Time t | Segregation evolution |
+
+```python
+from core import DBTUnified
+
+model = DBTUnified()
+result = model.temp_view.find_DBTT(d=30e-6, c=0.005)
+print(f"DBTT = {result['T_star']:.0f} K")
+```
+
+---
+
+## ⌨️ CLI Reference
+
+### Yield & Fatigue
+
+```bash
+# Single point calculation
+python -m core.unified_yield_fatigue_v6_9 point --metal Fe --sigma_a 150
+
+# Generate S-N curve
+python -m core.unified_yield_fatigue_v6_9 sn --metal Fe --sigma_min 100 --sigma_max 300
+
+# Calibrate A_ext
+python -m core.unified_yield_fatigue_v6_9 calibrate --metal Fe --sigma_a 244 --N_fail 7.25e7
+```
+
+### FLC (NEW!)
+
+```bash
+# Single material FLC
+python3 -c "
+from core import FLCPredictor
+flc = FLCPredictor()
+for b in [-0.5, -0.25, 0, 0.25, 0.5, 1.0]:
+    print(f'β={b:+.2f}: {flc.predict(b, \"SPCC\"):.3f}')
+"
+
+# Quick FLC value
+python3 -c "from core import predict_flc; print(predict_flc('SPCC', 0.0))"
+
+# Forming-fatigue analysis
+python3 -c "
+from core import FormingFatigueIntegrator
+integrator = FormingFatigueIntegrator()
+for eta in [0.0, 0.2, 0.4, 0.6]:
+    r_th = integrator.effective_r_th(eta, 'BCC')
+    print(f'η={eta:.0%}: r_th_eff = {r_th:.3f}')
+"
+
+# Critical η calculation
+python3 -c "
+from core import critical_forming_consumption
+for r in [0.3, 0.4, 0.5, 0.6]:
+    eta = critical_forming_consumption(r, 'BCC')
+    print(f'r={r:.1f}: η_critical = {eta*100:.1f}%')
+"
+```
+
+### DBT
+
+```bash
+# Single point calculation
+python -m core.dbt_unified point --d 30 --c 0.5 --T 300
+
+# Temperature axis analysis (DBTT)
+python -m core.dbt_unified T_axis --d 30 --c 0.5
+
+# Grain size axis analysis (ductile window)
+python -m core.dbt_unified d_axis --T 300 --c 0.5 --find_c_crit
+```
+
+---
+
+## 📊 Validation Data
+
+### FatigueData-AM2022 (Upstash Redis)
+
+Instant access to 1.49M fatigue data points:
+
+```python
+from core import FatigueDB
+
+db = FatigueDB()
+ti64 = db.get_sn_for_delta('Ti-6Al-4V', R=-1.0)
+
+# δ-theory validation
+for point in ti64:
+    r = point['r']  # = σ_a / σ_y
+    if r <= 0.20:  # HCP r_th
+        assert point['runout'], "Should be runout below r_th"
+```
+
+**Data Scale:**
+- 116 materials
+- S-N: 15,146 points
+- ε-N: 1,840 points  
+- da/dN: 1,472,923 points
+
+---
+
+## 🖥️ Web Application
+
+```bash
+cd apps
+streamlit run delta_fatigue_app.py
+```
+
+Features:
+- 📈 S-N curve prediction (multi-material comparison)
+- 🎯 A_ext one-point calibration
+- 📚 Theory explanation
+
+---
+
+## 🧪 Testing
+
+```bash
+pytest tests/ -v
+```
+
+---
+
+## 📖 Theory Background
+
+### Why "δ-Theory"?
+
+**δ_L (Lindemann Parameter)** — The critical ratio of atomic displacement at melting point. This purely geometric parameter unifies explanations from material strength to fatigue limits.
+
+### Key Insights
+
+1. **Materials = Highly Viscous Fluids** — Deformation is "flow", not "fracture"
+2. **Fatigue Limits = Geometric Consequence of Crystal Structure** — BCC/FCC/HCP differences emerge naturally
+3. **Free Volume = Shared Resource** — Strength, ductility, and fatigue compete for the same "余白"
+4. **Fitting Parameters ≈ 0** — Derived from crystal geometry, not curve fitting
+
+### Version History
+
+| Version | Feature |
+|---------|---------|
+| v5.0 | Yield stress from δ-theory |
+| v6.9b | Unified yield + fatigue with multiaxial |
+| v6.10 | Universal fatigue validation (2472 points) |
+| v7.2 | FLC from free volume consumption |
+| **v8.0** | **Forming-Fatigue integration** |
+
+---
+
+## 📄 License
+
+MIT License (Code) — See [LICENSE](LICENSE)
+
+Data sources (FatigueData-AM2022): CC BY 4.0
+
+---
+
+## 👥 Authors
+
+- **Masamichi Iizumi** — Miosync, Inc. CEO
+- **Tamaki** — Sentient Digital Partner
+
+---
+
+## 📚 Citation
+
+```bibtex
+@software{delta_theory_2025,
+  author = {Iizumi, Masamichi and Tamaki},
+  title = {δ-Theory: Unified Materials Strength, Fatigue, and Forming Framework},
+  version = {8.0.0},
+  year = {2025},
+  url = {https://github.com/miosync/delta-theory},
+  doi = {10.5281/zenodo.18457897}
+}
+```
+
+---
+
+<div align="center">
+
+**"Nature is Geometry"** 🔬
+
+*From yield stress to fatigue life to forming limits — all from crystal structure*
+
+</div>