Fast prediction of irradiation-induced cascade defects using denoising diffusion probabilistic model

Fast prediction of irradiation-induced cascade defects using denoising diffusion probabilistic model

Irradiation-induced cascade collisions produce numerous point defects within materials, which can severely deteriorate their thermo-mechanical properties and overall performance. We propose a computational scheme that combines molecular dynamic (MD) simulations with a denoising diffusion probabilist...

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Bibliographic Details
Main Authors: Ruihao Liao, Ke Xu, Yifan Liu, Zibo Gao, Shuo Jin, Linyun Liang, Guang-Hong Lu
Format: Article
Language:English
Published: Elsevier 2024-12-01
Series:Nuclear Materials and Energy
Subjects:
Machine learning
Molecular dynamic
Cascade collision
Point defects
Primary knock atom energy
Online Access:http://www.sciencedirect.com/science/article/pii/S235217912400228X
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