Open AccessDensity functional theory (DFT) simulations of polyethylene: Principal hugoniot, specific heats, compression and release isentropes
Author(s) -
Kyle Cochrane,
M. P. Desjarlais,
Thomas R. Mattsson
Publication year - 2012
Publication title -
aip conference proceedings
Language(s) - English
Resource type - Conference proceedings
SCImago Journal Rank - 0.177
H-Index - 75
eISSN - 1551-7616
pISSN - 0094-243X
DOI - 10.1063/1.3686512
Subject(s) - thermodynamics , density functional theory , polyethylene , materials science , dissociation (chemistry) , equation of state , compression (physics) , range (aeronautics) , polymer , chemistry , computational chemistry , physics , composite material
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