Open AccessMolecular statics simulation of CdTe grain boundary structures and energetics using a bond-order potential
Author(s) -
Guillaume Stechmann,
Stefan Zaefferer,
Dierk Raabe
Publication year - 2018
Publication title -
modelling and simulation in materials science and engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.687
H-Index - 82
eISSN - 1361-651X
pISSN - 0965-0393
DOI - 10.1088/1361-651x/aaba87
Subject(s) - energetics , materials science , grain boundary , bond order , order (exchange) , cadmium telluride photovoltaics , statics , molecular dynamics , boundary (topology) , crystallography , chemical physics , condensed matter physics , thermodynamics , bond length , nanotechnology , classical mechanics , computational chemistry , composite material , crystal structure , microstructure , physics , mathematical analysis , mathematics , chemistry , finance , economics