Xiao-Ying Zhuang

Machine learning interatomic potential study of grain boundaries thermal conductance and tensile strength in hexagonal boron nitride

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...