2 papers
cond-mat.mtrl-sci2025
Amplitude Expansion Phase Field Crystal (APFC) Modeling based Efficient Dislocation Simulations using Fourier Pseudospectral Method
Xinyi Wei, Yangshuai Wang, Kai Jiang +1
Crystalline defects critically influence material properties, necessitating accurate simulation methods. Existing approaches, from atomic-scale configurations to continuum elastici…
math.NA2025
Higher-Order Boundary Conditions for Atomistic Dislocation Simulations
Xinyi Wei, Julian Braun, Yangshuai Wang +1
We present a higher-order boundary condition for atomistic simulations of dislocations that address the slow convergence of standard supercell methods. The method is based on a mul…