Vibrational properties of a \(\Sigma\)5(310)[001] NiO grain boundary as a function of temperature: a molecular dynamics simulation

DOI10.1016/S0010-4655(02)00383-1zbMATH Open1074.81614OpenAlexW1986686799MaRDI QIDQ696476

Theodoros E. Karakasidis

Publication date: 12 September 2002

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

Full work available at URL: https://doi.org/10.1016/s0010-4655(02)00383-1

zbMATH Keywords

Grain boundariesMolecular dynamics calculationsNickel oxideVibrations of solid surfaces and interfaces

Mathematics Subject Classification ID

Molecular physics (81V55)

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