Pith Number

pith:XWO4DTZI

pith:2026:XWO4DTZIIAWXCAUHHXT6HDREV6

not attested not anchored not stored refs pending

Development of a 3D-CNN-based Prediction Model for Migration Barriers in Plasma-Wall Interactions

Hiroaki Nakamura, Kazuo Hoshino, Keisuke Takeuchi, Seiki Saito, Shohei Yamoto, Yasuhiro Oda, Yuki Homma, Yuki Uchida

A 3D convolutional neural network predicts hydrogen migration barriers in tungsten to within 0.124 eV while running over 23000 times faster than the Nudged Elastic Band method.

arxiv:2604.05521 v2 · 2026-04-07 · physics.plasm-ph · cond-mat.mtrl-sci

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4 Citations open

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Claims

C1strongest claim

the model demonstrated robust predictive accuracy, achieving a Mean Absolute Error (MAE) of 0.124 eV and a high coefficient of determination of 0.890. Furthermore, utilizing GPU acceleration, the inference time is reduced to approximately 2.7 milliseconds per barrier, achieving a speed-up ratio of over 23,000 compared to conventional NEB calculations.

C2weakest assumption

That a 3D-CNN trained on static EAM-generated configurations will continue to give accurate barriers for the continuously evolving, non-equilibrium atomic structures that arise under sustained plasma irradiation, and that the two-channel volumetric input fully encodes all relevant environmental information.

C3one line summary

A 3D-CNN surrogate predicts W-H migration barriers with 0.124 eV MAE and runs 23,000 times faster than NEB, enabling on-the-fly hybrid MD/kMC modeling of plasma-wall interactions.

Formal links

2 machine-checked theorem links

Receipt and verification

First computed	2026-06-08T01:04:04.089212Z
Builder	pith-number-builder-2026-05-17-v1
Signature	Pith Ed25519 (`pith-v1-2026-05`) · public key
Schema	pith-number/v1.0

Canonical hash

bd9dc1cf28402d7102873de7e38e24afb5f5a1a90a995e94724173a979d0ea22

Aliases

arxiv: 2604.05521 · arxiv_version: 2604.05521v2 · doi: 10.48550/arxiv.2604.05521 · pith_short_12: XWO4DTZIIAWX · pith_short_16: XWO4DTZIIAWXCAUH · pith_short_8: XWO4DTZI

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Verify this Pith Number yourself

curl -sH 'Accept: application/ld+json' https://pith.science/pith/XWO4DTZIIAWXCAUHHXT6HDREV6 \
  | jq -c '.canonical_record' \
  | python3 -c "import sys,json,hashlib; b=json.dumps(json.loads(sys.stdin.read()), sort_keys=True, separators=(',',':'), ensure_ascii=False).encode(); print(hashlib.sha256(b).hexdigest())"
# expect: bd9dc1cf28402d7102873de7e38e24afb5f5a1a90a995e94724173a979d0ea22

Canonical record JSON

{
  "metadata": {
    "abstract_canon_sha256": "23c8cd275f5fecfef74bd80ce664d805ee35deff0b54f2eec3abfed5138ecf2c",
    "cross_cats_sorted": [
      "cond-mat.mtrl-sci"
    ],
    "license": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
    "primary_cat": "physics.plasm-ph",
    "submitted_at": "2026-04-07T07:18:58Z",
    "title_canon_sha256": "5230ca6cdc89505a4e27fcfb7ac07c64a96a5ebef84fc9fa3bb057c986aaa0bb"
  },
  "schema_version": "1.0",
  "source": {
    "id": "2604.05521",
    "kind": "arxiv",
    "version": 2
  }
}