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Mechanical properties and elastic constants of atomistic systems through the stress-fluctuation formalism

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Publication:743330
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DOI10.1016/J.CPC.2012.08.004zbMath1302.74004OpenAlexW2059661864MaRDI QIDQ743330

Evangelos Voyiatzis

Publication date: 24 September 2014

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2012.08.004


zbMATH Keywords

Poisson ratioshear modulusYoung moduluselastic constantsatactic polystyreneLamé coefficients


Mathematics Subject Classification ID

Molecular, statistical, and kinetic theories in solid mechanics (74A25)


Related Items (2)

General energy-strain scheme for accurate evaluation of the Born elasticity term for solid and liquid systems under finite temperature and pressure conditions ⋮ Free energy calculations by molecular simulations of deformed polymer glasses







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