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Atomistic and physics-informed neural network investigation of interfacial debonding in differently aligned nanoinclusions

delete2026-04-29
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PRE
AI
P
Peiyao Sheng
杨文志 (Wenzhi Yang) *
S
Shaojie Gu
S
Sungmin Yoon
Z
Zengtao Chen
Y
Yi Cui *
DOI:10.1016/j.commatsci.2026.114733delete
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Abstract

Abstract

En 中文
• A PINN post-processor reconstructs smooth, equilibrium-consistent stress fields directly from MD displacements. • Interfacial debonding precedes dislocation emission across all geometries studied. • Geometry governs failure order: vertical < diagonal < single < horizontal (earliest to latest onset). • Vertical pairs show strong spacing sensitivity; larger gaps delay debonding and emission. • Four-inclusion topology matters: four-square > two-horizontal > four-vertical > two-vertical in resistance to debonding.
Keywords:
interfacial debonding
nanoinclusions
molecular dynamics
physics-informed neural networks
failure mechanisms

Journal

Computational Materials Science cover
Computational Materials Science
IF:
3.3
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1.3W
Citations:
3.6W

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changwon national university
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