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Digital polycrystalline microstructure generation using diffusion probabilistic models

delete2024-03-01
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PRE
AI
P
Patxi Fernandez-Zelaia *
J
Jiahao Cheng
J
Jason R. Mayeur
A
Amirkoushyar Ziabari
M
Michael Kirka
DOI:10.1016/j.mtla.2023.101976delete
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Abstract

Abstract

En 中文
Accurate micromechanical simulation of polycrystalline materials requires a realistic digital representation of the grain scale microstructure. This work demonstrates the use of a generative diffusion probabilistic model for synthesizing single phase polycrystalline realizations. The model performs well and is capable of producing realistic microstructures consisting of not just simple equiaxed structures but also structures exhibiting more complex spatial arrangements. Masked microstructure generation reveals that the model is context aware of morphological descriptors which may be encoded in the latent space. Training on more diverse data sets, with scaled up architectures, may enable development of future models capable of synthesizing even more complex microstructural features.
Keywords:
Microstructure
Machine learning
Generative modeling
ICME

Journal

Materialia cover
Materialia
IF:
2.9
Papers:
2.2K
Citations:
6.5K

Organization

U
united states department of energy (doe)
Scholars:
11.3W
Papers: 9.6W
Citations: 246
O
oak ridge national laboratory
Scholars:
1.4W
Papers: 1.0W
Citations: 20