Computation of the thermal elastic constants for arbitrary manybody potentials in LAMMPS using the stress-fluctuation formalism

Autor:	Germain Clavier, Aidan P. Thompson
Rok vydání:	2023
Předmět:	Hardware and Architecture General Physics and Astronomy
Zdroj:	Computer Physics Communications. 286:108674
ISSN:	0010-4655
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::ecd46baced61d9f9c112221090240255 https://doi.org/10.1016/j.cpc.2023.108674 Zobrazit plný text záznamu Full Text from ScienceDirect