Self-diffusion and macroscopic diffusion of hydrogen in amorphous metals from first-principles calculations

Journal of Chemical Physics

Volumn 130, Issue 24, 2009, Pages

  Hao, Shiqiang ^a   Sholl, David S ^a  

^a Georgia Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS METALS; DIFFUSION COEFFICIENTS; FICK'S LAW; FIRST-PRINCIPLE; FIRST-PRINCIPLES CALCULATION; H DIFFUSION; HYDROGEN PURIFICATION; INTERSTITIAL HYDROGEN; KINETIC MONTE CARLO SIMULATION; MACROSCOPIC DIFFUSION; MASS TRANSPORT; SELF-DIFFUSION; SELF-DIFFUSION COEFFICIENTS; TRANSPORT DIFFUSION; USE RATE;

AMORPHOUS ALLOYS; HYDROGEN; LITHIUM BATTERIES; METAL REFINING; METALS; MONTE CARLO METHODS; PURIFICATION; SOLID STATE PHYSICS; SULFUR COMPOUNDS;

DIFFUSION;

EID: 67650469395     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3158619     Document Type: Article

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