4 papers
Double lattice potential for molecular dynamics simulation of silicon with demonstrated validity
Hui Zhang, Chongyang Wei, Zhongwu Liu +4
To reproduce the diamond structure of silicon, double lattice (DL) potential constructed from two interatomic potentials for face centered cubic (fcc) lattice, is proposed for mole…
Designing ABO3 crystal structure with Lennard-Jones interatomic potentials
Hui Zhang, Zhongwu Liu, Xichun Zhong +2
In this paper, our goal is to design ABO3 crystal structure with simple interatomic Lennard-Jones (LJ) potentials and without setting any initial Bravais lattice and it is carried…
Lennard-Jones interatomic potentials for the allotropes of carbon
Hui Zhang, Zhongwu Liu, Xichun Zhong +2
Finding appropriate interatomic potentials which can accurately describe the crystal structure of material is one of important topics in material science. In this paper, several in…
Crystallization and non-crystallization of Lennard-Jones particles studied by molecular dynamics simulation
Hui Zhang, Zhongwu Liu, Xichun Zhong +2
What lattice Lennard-Jones (LJ) solid favors, the lattice identification of simulated system and the microstructures of liquid and non-crystalline solid are three important questio…