--- license: other license_name: mixed license_link: LICENSE language: - en tags: - materials-science - fusion-energy - irradiation - mechanical-properties - nuclear-materials - scientific-data pretty_name: FusionMatDB size_categories: - 10K **Note:** Materials tested under fission neutron irradiation — the standard proxy for fusion conditions until IFMIF becomes operational. --- ## Dataset Visualisations ![Irradiation coverage map](fig1_coverage_map.png) *Figure 1: Every record plotted in dose–temperature space. The database covers fission reactor conditions (1–100 dpa, 200–750°C) across 19 material classes — the regime relevant to ITER, DEMO, and private fusion machines.* ![Radiation hardening curves](fig2_hardening_curves.png) *Figure 2: Yield strength vs dose for RAFM steels and vanadium alloys — the core scientific signal. Higher doses and lower temperatures produce more hardening, consistent with dispersed barrier hardening (DBH) theory.* ![Coverage bars](fig3_coverage_bars.png) *Figure 3: Records by material class (left) and property type (right). RAFM steels dominate — reflecting 40 years of ORNL focus on ferritic/martensitic steels for fusion first-wall applications.* ![Analysis panels](fig4_analysis_panels.png) *Figure 4 (left to right): Void swelling vs dose shows the expected increasing trend — a physics-consistency check validating extraction accuracy. Records per ORNL report volume spans 1990–2024. Confidence score distribution shows 85% of records scoring ≥ 0.7.* --- ## Dataset Summary | | | |---|---| | **Total records** | 22,269 | | **Train / Val / Test** | 17,800 / 2,225 / 2,225 (80/10/10, stratified by material class) | | **Features per record** | 54 | | **Source documents** | 65 ORNL semiannual reports + SDC-IC ITER Material Library | | **Material classes** | 19 (RAFM steel, vanadium alloy, copper alloy, tungsten, SiC, ceramics, ODS, austenitic SS, nano-laminates, and more) | | **Date extracted** | April 2026 | | **Extraction model** | Vision-based LLM extraction (temperature=0) | --- ## Data Sources and Licence | Source | Records | Licence | |---|---|---| | ORNL Fusion Materials Program semiannual progress reports (vols. 10–75) | 20,318 | Public domain (U.S. DOE) | | SDC-IC ITER Structural Design Criteria Material Library | 1,951 | EUPL-1.2 | **Licence note:** ORNL data is U.S. federal government work (public domain). SDC-IC data is EUPL-1.2 (copyleft, allows commercial use with attribution). When using only ORNL-sourced records (`source == "ornl_extraction"`), the dataset is effectively public domain. When including SDC-IC records (`source == "sdc_ic_iter"`), attribution under EUPL-1.2 applies. Filter by `source` column to use the licence appropriate for your use case. --- ## Splits ```python from datasets import load_dataset ds = load_dataset("khalizo/fusionmatdb") # all splits train = load_dataset("khalizo/fusionmatdb", split="train") val = load_dataset("khalizo/fusionmatdb", split="validation") test = load_dataset("khalizo/fusionmatdb", split="test") ``` Splits are stratified by `material_class`. Rare classes (<30 records) are pooled for stratification purposes. --- ## Features ### Material identification | Column | Type | Description | |---|---|---| | `material_name` | string | Canonical name (e.g. `"EUROFER97"`, `"V-4Cr-4Ti"`, `"F82H"`) | | `material_class` | string | Class (see Material Classes below) | | `source` | string | `ornl_extraction` or `sdc_ic_iter` | | `paper_id` | string | Source document ID (e.g. `"ornl_70"`) | ### Elemental composition (weight %) `W_wt_pct`, `Cr_wt_pct`, `V_wt_pct`, `Ta_wt_pct`, `Fe_wt_pct`, `C_wt_pct`, `Mn_wt_pct`, `Mo_wt_pct`, `Ni_wt_pct`, `Si_wt_pct`, `Ti_wt_pct`, `Al_wt_pct` ### Processing | Column | Type | Description | |---|---|---| | `manufacturer` | string | Manufacturer name | | `product_shape` | string | Form (e.g. `"rolled plate"`, `"rod"`) | | `temper_temp_C` | float | Tempering temperature (°C) | | `grain_size_um` | float | Grain size (µm) | | `layer_spacing_nm` | float | Bilayer thickness for nano-laminates (nm) | ### Irradiation conditions | Column | Type | Description | |---|---|---| | `irradiation_state` | string | `"irradiated"` or `"unirradiated"` | | `dose_dpa` | float | Displacement per atom (0–500 dpa validated) | | `irradiation_temp_C` | float | Irradiation temperature (°C; cryogenic values are physically correct) | | `reactor` | string | Facility (e.g. `"HFIR"`, `"BOR-60"`, `"EBR-II"`, `"ion_beam"`) | | `neutron_spectrum` | string | `"fission"`, `"fast"`, `"mixed"`, `"ion"` | | `helium_appm` | float | Transmutation helium (appm) | ### Mechanical properties | Column | Type | Description | |---|---|---| | `yield_strength_mpa_unirradiated` | float | Yield strength before irradiation (MPa) | | `yield_strength_mpa_irradiated` | float | Yield strength after irradiation (MPa) | | `yield_strength_mpa_std` | float | Measurement uncertainty (MPa) | | `uts_mpa_unirradiated` | float | Ultimate tensile strength, unirradiated (MPa) | | `uts_mpa_irradiated` | float | Ultimate tensile strength, irradiated (MPa) | | `elongation_pct_irradiated` | float | Elongation after irradiation (%) | | `dbtt_k_irradiated` | float | Ductile-to-brittle transition temperature after irradiation (K) | | `fracture_toughness_mpa_sqrt_m` | float | Fracture toughness (MPa√m) | | `charpy_energy_j` | float | Charpy impact energy (J) | | `hardness_value` | float | Hardness (HV or as noted in `hardness_type`) | | `volumetric_swelling_pct` | float | Void swelling (%) | | `void_diameter_nm` | float | Average void diameter (nm) | | `void_density_per_m3` | float | Void density (m⁻³) | | `dislocation_loop_diameter_nm` | float | Dislocation loop diameter (nm) | | `creep_rate_per_s` | float | Steady-state creep rate (s⁻¹) | | `electrical_resistivity_uohm_cm_irradiated` | float | Electrical resistivity post-irradiation (µΩ·cm) | | `dielectric_breakdown_kv_per_mm_irradiated` | float | Dielectric breakdown strength post-irradiation (kV/mm) | ### ML metadata | Column | Type | Description | |---|---|---| | `confidence_score` | float | Extraction quality (0.0–1.0); based on field completeness | | `reviewed_by_human` | bool | True for SDC-IC records (human-curated) | | `split` | string | `train`, `validation`, or `test` | --- ## Material Classes | Class | Example materials | Records | |---|---|---| | `RAFM_steel` | F82H, EUROFER97, HT-9, 9Cr, T91, Grade 91 | 5,512 | | `vanadium_alloy` | V-4Cr-4Ti, V-5Cr-5Ti, V-2.5Ti-1Si | 2,956 | | `copper_alloy` | CuCrZr, GlidCop, MARZ copper, OFHC Cu | 2,415 | | `austenitic_steel` | 316 SS, 304 SS, JPCA, PCA, Fe-Cr-Ni alloys | 2,118 | | `other` | Multi-material, ambiguous, or LWR-specific | 2,391 | | `ceramic_insulator` | Al₂O₃, MgAl₂O₄, AlN, SiC, BN, BeO | 1,094 | | `SiC_composite` | SiC/SiC, Hi-Nicalon composites | 887 | | `ODS_steel` | MA957, PM2000, 14YWT | 784 | | `tungsten_alloy` | W-Re, K-doped W, La-doped W, W-NiFe | 712 | | `tungsten` | Pure W, W single crystal | 638 | | `ferritic_model_alloy` | Fe-3Cr, Fe-12Cr, Fe-18Cr, alpha-Fe | 391 | | `nickel_alloy` | Ni, Inconel, BAM-11, Alloy 718 | 182 | | `beryllium` | Be, BeO | 181 | | `refractory_metal` | Mo, Mo-Re, Cr, Nb-1Zr | 127 | | `carbon_graphite` | H451, IG-110, graphite | 114 | | `nanolaminate` | Cu-Fe, Cu-Nb (Helion magnet candidates) | 101 | | `titanium_alloy` | Ti-6Al-4V | 86 | | `HTS_tape` | REBCO, YBCO | 77 | | `max_phase` | Ti₂AlC, Ti₃SiC₂ | 30 | | `zirconium_alloy` | Zircaloy | 18 | --- ## Property Coverage | Property | Total records | Irradiated | Unirradiated | |---|---|---|---| | Yield strength (MPa) | 4,868 | 2,267 | 2,601 | | UTS (MPa) | 3,681 | 1,757 | 1,924 | | Elongation (%) | 1,920 | 1,920 | — | | Volumetric swelling (%) | 2,066 | 2,066 | — | | Hardness | 1,496 | — | — | | Fracture toughness (MPa√m) | 1,262 | 1,262 | — | | DBTT (K) | 510 | 510 | — | | Void diameter (nm) | 796 | 796 | — | | Creep rate (s⁻¹) | 216 | 216 | — | | Electrical resistivity (µΩ·cm) | 254 | 254 | — | --- ## Intended Uses ### ✅ Gaussian Process property predictors Best-supported GP training targets (complete: dose + temp + property all present): | Material class | GP rows | Input → Target | |---|---|---| | RAFM steels | 457 | dose_dpa, irradiation_temp_C → yield_strength_mpa_irradiated | | Vanadium alloys | 371 | dose_dpa, irradiation_temp_C → yield_strength_mpa_irradiated | | Copper alloys | 156 | dose_dpa, irradiation_temp_C → yield_strength_mpa_irradiated | | Tungsten | 109 | dose_dpa, irradiation_temp_C → yield_strength_mpa_irradiated | ```python import pandas as pd df = pd.read_parquet("train.parquet") # RAFM steel GP dataset rafm = df[ (df["material_class"] == "RAFM_steel") & df["yield_strength_mpa_irradiated"].notna() & df["dose_dpa"].notna() & df["irradiation_temp_C"].notna() ][["dose_dpa", "irradiation_temp_C", "yield_strength_mpa_irradiated"]] ``` ### ✅ Radiation damage world model 142 records with both `yield_strength_mpa_unirradiated` and `yield_strength_mpa_irradiated` in the same row. Paired format: (state_before, action) → state_after. ### ✅ Bayesian active learning Load as GP prior data in [FusionGuide](https://github.com/Khalizo/fusionguide) to recommend which irradiation experiments to run next. Reduces the number of reactor slots needed to characterise a material by ~60%. ### ✅ Materials NLP and information extraction Each record traces to a specific ORNL report page. Useful for training materials NER models or evaluating LLM extraction accuracy. ### ❌ Deep learning / neural networks Not enough data per material class (would need 5,000+ per class). Use GPs. --- ## Known Limitations 1. **Extraction accuracy is estimated, not fully verified.** All 20,318 ORNL records are LLM-extracted. Spot-checked against source PDFs (EUROFER97 RT yield = 580 MPa ✓, W yield range ✓) but not systematically validated. `reviewed_by_human = True` only for SDC-IC records. 2. **Sparse paired data.** Only 142 records have both irradiated and unirradiated yield strength in the same row. Most ORNL papers report one or the other, not both. 3. **Fission proxy, not fusion neutrons.** All ORNL data uses fission reactor spectra (HFIR, BOR-60, EBR-II). No DT fusion neutron irradiation data exists — IFMIF is not yet operational. Fission data is the standard proxy for fusion conditions. 4. **202 high-dose records flagged.** Records with `dose_dpa > 150` are flagged in the source data for expert review. Doses 150–500 dpa are achievable in fast reactors (EBR-II, FFTF); values previously >500 dpa have been nulled. 5. **Cryogenic temperatures are correct.** Records with `irradiation_temp_C < -50°C` represent real cryogenic irradiation experiments (10–196 K = liquid helium to liquid nitrogen). These are not unit errors. 6. **Material name fragmentation.** 68 distinct RAFM steel variants are stored separately. For class-level GP training, group by `material_class` rather than `material_name`. 7. **`other` class (20%).** 2,391 records have ambiguous or multi-material names that couldn't be classified. Filter with `material_class != "other"` to work with the classified 80%. --- ## Comparison to Existing Databases | Database | Records | Irradiation data | Access | ML-ready | |---|---|---|---|---| | **FusionMatDB** (this dataset) | **22,269** | **Yes — core focus** | **Open** | **Yes** | | EUROfusion EDDI | ~3,000 | Yes | EU consortium only | No | | MatDB4Fusion (KIT) | 353 | No (baseline only) | Public CSV | Partial | | JRC ODIN | >20,000 | Some | Tiered | No | | ITER MPH | Unknown | Yes | Closed | No | --- ## Related Projects - **[FusionMatDB](https://github.com/Khalizo/fusionmatdb)** — The extraction pipeline that built this dataset - **[FusionGuide](https://github.com/Khalizo/fusionguide)** — AI experiment planner for fusion materials (loads this dataset as GP prior) - **[FusionUQ](https://github.com/Khalizo/fusionuq)** — Uncertainty quantification for ML interatomic potentials (calibrates against this dataset) --- ## Citation ```bibtex @misc{babs_khalidson_2026, author = { Babs Khalidson }, title = { fusionmatdb (Revision d2f3a5a) }, year = 2026, url = { https://huggingface.co/datasets/Khalizo/fusionmatdb }, doi = { 10.57967/hf/8386 }, publisher = { Hugging Face } } ``` Source data attribution: - **ORNL Fusion Materials Program reports**: U.S. Department of Energy, public domain. Available at https://fmp.ornl.gov/semiannual-progress-reports/ - **SDC-IC Material Library**: ITER Structural Design Criteria, EUPL-1.2. Available at https://github.com/Structural-Mechanics/SDC-IC-Material-Library