A comparison of molecular dynamics potentials used to account for thermal diffuse scattering in multislice simulations.

Chen, Xi; Kim, Dennis S; LeBeau, James M

Chen, Xi; Kim, Dennis S; LeBeau, James M.

Afiliación

Chen X; Department of Materials Science & Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, United States of America.
Kim DS; Department of Materials Science & Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, United States of America.
LeBeau JM; Department of Materials Science & Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, United States of America. Electronic address: lebeau@mit.edu.

Ultramicroscopy ; 244: 113644, 2023 Feb.

Article en En | MEDLINE | ID: mdl-36410085

Asunto(s)

Simulación de Dinámica Molecular; Fonones; Electrones; Aprendizaje; Silicio

Palabras clave

Thermal diffuse scattering, Frozen phonon multislice, Phonon band structure

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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Simulación de Dinámica Molecular / Fonones Idioma: En Revista: Ultramicroscopy Año: 2023 Tipo del documento: Article País de afiliación: Estados Unidos

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