Affiliation:
1. Beijing University of Science and Technology
Abstract
We explored a new type EAM potential (CLI-EAM) that the value of atomic electron density and pair potential functions are obtained by Chen’s lattice inversion based on first-principles calculations. This EAM potential is applied to Cu, Ag, Cu and Pt metals successfully and the results of basic properties agreed with the experiments. For the same metal, the cohesive energy of fcc structures are the lower than bcc structures.
Publisher
Trans Tech Publications, Ltd.
Cited by
9 articles.
订阅此论文施引文献
订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Investigation on Be, Mg, Ca, B, Ga, C, Si, and Ge atoms doped on Al (111) surface and their effect on oxygen adsorption: A first-principle calculation;Surfaces and Interfaces;2024-10
2. Study of the M-doped Effect (M=Al, Ag, W) on the Dissociation of O2 on Cu Surface Using a First Principles Method;Materials Research;2021
3. O
2
dissociative adsorption on the Cu‐, Ag‐, and W‐doped Al(111) surfaces from DFT computation;Surface and Interface Analysis;2020-09-21
4. Structural and mechanical properties of Fe–Al compounds: An atomistic study by EAM simulation;Intermetallics;2014-09
5. ELASTIC AND VIBRATIONAL PROPERTIES OF ORDERED AND DISORDERED CuMnPt6;Modern Physics Letters B;2013-10-15