Theoretical calculation of activation free energy for self-diffusion in prototype crystal

Materials Transactions

Volumn 51, Issue 9, 2010, Pages 1521-1525

  Sato, K ^a   Takizawa, S ^a   Mohri, T ^a  

^a HOKKAIDO UNIVERSITY   (Japan)

Author keywords

Atomic diffusion; Quasi harmonic approximation; Transition state theory

Indexed keywords

ACTIVATION FREE ENERGY; ANHARMONICITIES; ATOMIC DIFFUSIONS; EQUILIBRIUM STATE; FREE-ENERGY DIFFERENCE; HARMONIC APPROXIMATION; QUASI-HARMONIC APPROXIMATION; SADDLE POINT; SELF-DIFFUSION; TEMPERATURE DEPENDENCIES; THEORETICAL CALCULATIONS; TRANSITION STATE; TRANSITION STATE THEORIES; VIBRATIONAL FREE ENERGY;

ATOMS; DIFFUSION IN SOLIDS; FREE ENERGY; HARMONIC ANALYSIS;

ACTIVATION ENERGY;

EID: 78049521776     PISSN: 13459678     EISSN: None     Source Type: Journal    
DOI: 10.2320/matertrans.MAW201009     Document Type: Article

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