Open AccessAtomic-scale simulation of the thermodiffusion of hydrogen in palladium
Author(s) -
William C. Tucker,
Lalit Shokeen,
Patrick K. Schelling
Publication year - 2013
Publication title -
journal of applied physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.699
H-Index - 319
eISSN - 1089-7550
pISSN - 0021-8979
DOI - 10.1063/1.4816961
Subject(s) - hydrogen , kinetic energy , thermodynamics , hydrogen atom , chemistry , virial theorem , kinetic monte carlo , atom (system on chip) , enthalpy , molecular dynamics , potential energy , atomic physics , monte carlo method , physics , computational chemistry , quantum mechanics , alkyl , statistics , mathematics , organic chemistry , galaxy , computer science , embedded system
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