Open AccessElastic constants and homogenized moduli of manganese carbonate structure based on molecular dynamics and Reuss-Voigt-Hill methods
Author(s) -
Jia Fu,
Hao Bai,
Zhaoyuan Zhang,
Weihui Lin
Publication year - 2018
Publication title -
iop conference series materials science and engineering
Language(s) - English
Resource type - Journals
eISSN - 1757-899X
pISSN - 1757-8981
DOI - 10.1088/1757-899x/423/1/012046
Subject(s) - shear modulus , bulk modulus , manganese , density functional theory , pseudopotential , van der waals force , elastic modulus , molecular dynamics , crystal structure , materials science , carbonate , crystallography , chemistry , computational chemistry , composite material , condensed matter physics , molecule , physics , metallurgy , organic chemistry
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