Free energy calculations by molecular simulations of deformed polymer glasses
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Publication:2698840
DOI10.1016/J.CPC.2019.107008OpenAlexW2988500463WikidataQ107362124 ScholiaQ107362124MaRDI QIDQ2698840
Lambèrt C. A. van Breemen, Doros N. Theodorou, Georgios G. Vogiatzis, Markus Hütter
Publication date: 25 April 2023
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.cpc.2019.107008
plasticitypolymer glassesfree energy calculationquasi-harmonic approximationHessian calculationdeformation and failure
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