Kavli Affiliate: Wei Gao | First 5 Authors: Fei Shuang, Kai Liu, Yucheng Ji, Wei Gao, Luca Laurenti | Summary: Extended defects such as dislocation networks and general grain boundaries are ubiquitous in metals, and accurately modeling these extensive defects is crucial for understanding their deformation mechanisms. Existing machine learning interatomic potentials (MLIPs) often fall […]
Continue.. Modeling Extensive Defects in Metals through Classical Potential-Guided Sampling and Automated Configuration Reconstruction