Weak particle-matrix interfaces play a critical role in the tensile fracture of particle-filled polymer composites, but how they govern progressive debonding, fracture localization, and the resulting changes in macroscopic mechanical properties remains insufficiently understood. In this study, a cohesive-zone phase-fie...
Xu Chen, Ya-Bing Duan, X. Zhuang et al.· 0 citations
Chemical vapor deposition enables the scalable synthesis of large-area two-dimensional (2D) materials, but the resulting grain boundaries (GBs) can strongly influence their thermal and mechanical performance. In this work, we employ machine learning interatomic potentials (MLIPs) to systematically investigate thermal t...
B. Mortazavi, A. Rajabpour, T. Rabczuk et al.· Machine Learning for Computa...· 0 citations
The nonlinear and non-unique relationship between unit-cell topology and bandgap properties motivates the development of complementary data-driven approaches for metamaterial inverse design. This work presents a conditional denoising diffusion probabilistic model (DDPM)-based framework for the on-demand generation of t...
Than V. Tran, S. Nanthakumar, Ya-Bin Jin et al.· Machine Learning for Computa...· 0 citations
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