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Atomistic Mechanisms of Binary Alloy Surface Segregation from Nanoseconds to Seconds Using Accelerated Dynamics.
Garza, Richard B; Lee, Jiyoung; Nguyen, Mai H; Garmon, Andrew; Perez, Danny; Li, Meng; Yang, Judith C; Henkelman, Graeme; Saidi, Wissam A.
Afiliación
  • Garza RB; Department of Mechanical Engineering and Materials Science, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States.
  • Lee J; Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States.
  • Nguyen MH; Department of Chemistry, University of Texas at Austin, Austin, Texas 78712, United States.
  • Garmon A; Oden Institute for Computational Engineering & Sciences, University of Texas at Austin, Austin, Texas 78712, United States.
  • Perez D; Department of Chemistry, University of Texas at Austin, Austin, Texas 78712, United States.
  • Li M; Theoretical Division T-1, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
  • Yang JC; Department of Physics & Astronomy, Clemson University, Clemson, South Carolina 29631, United States.
  • Henkelman G; Theoretical Division T-1, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
  • Saidi WA; Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States.
J Chem Theory Comput ; 18(7): 4447-4455, 2022 Jul 12.
Article en En | MEDLINE | ID: mdl-35671511
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Aleaciones / Simulación de Dinámica Molecular Tipo de estudio: Health_economic_evaluation Idioma: En Revista: J Chem Theory Comput Año: 2022 Tipo del documento: Article País de afiliación: Estados Unidos
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Aleaciones / Simulación de Dinámica Molecular Tipo de estudio: Health_economic_evaluation Idioma: En Revista: J Chem Theory Comput Año: 2022 Tipo del documento: Article País de afiliación: Estados Unidos