Effect of atomic scale plasticity on hydrogen diffusion in iron: Quantum mechanically informed and on-the-fly kinetic Monte Carlo simulations

Journal of Materials Research

Volumn 23, Issue 10, 2008, Pages 2757-2773

  Ramasubramaniam, A ^a   Itakura, M ^b   Ortiz, M ^c   Carter, E A ^d  

^a PRINCETON UNIVERSITY   (United States)

^b JAPAN ATOMIC ENERGY AGENCY   (Japan)

^c CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^d Princeton University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABS RESINS; ATOMIC PHYSICS; ATOMS; CRACKS; CRYSTAL GROWTH; CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; DIFFUSION; DISLOCATIONS (CRYSTALS); ELECTROABSORPTION MODULATORS; ENERGY BARRIERS; GRAIN BOUNDARIES; HYDROGEN; LIGHT ABSORPTION; MONTE CARLO METHODS; POWDERS; RADIATION DAMAGE; SEMICONDUCTOR DOPING;

ATOMIC SCALES; BULK DIFFUSIONS; COMPUTATIONAL COSTS; CRYSTALLINE DEFECTS; DENSITY FUNCTIONAL THEORY CALCULATIONS; EFFECTIVE DIFFUSIVITIES; EMBEDDED ATOMS; HYDROGEN DIFFUSIONS; KINETIC MONTE CARLO MODELS; KINETIC MONTE CARLO SIMULATIONS; KMC SIMULATIONS; LATTICE DEFECTS; LENGTH SCALES; LOCAL ENVIRONMENTS; ON THE FLOWN; SIMULATING; TIME SCALES;

DIFFUSION BARRIERS;

EID: 54449095485     PISSN: 08842914     EISSN: None     Source Type: Journal    
DOI: 10.1557/jmr.2008.0340     Document Type: Article

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