Title

SELF-DIFFUSION IN THE HEXAGONAL STRUCTURE OF ZIRCONIUM AND HAFNIUM. COMPUTER SIMULATION STUDIES.

SELF-DIFFUSION IN THE HEXAGONAL STRUCTURE OF ZIRCONIUM AND HAFNIUM. COMPUTER SIMULATION STUDIES.

Authorship

RUIZ, DIEGO HERNÁN; GRIBAUDO, LUIS MARÍA; MONTI, ANA MARÍA

RUIZ, DIEGO HERNÁN

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GRIBAUDO, LUIS MARÍA

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MONTI, ANA MARÍA

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DOI

10.5151/2594-5327-3727

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Abstract

Self-diffusion by vacancy mechanism is studied in two metals of close packed structure (hcp), namely Hf-α and Zr-α. Computer simulation techniques are used together with many-body potentials of the embedded atom type. Defect properties are calculated at 0K by molecular static while molecular dynamic is used to explore a wide temperature range.

Self-diffusion by vacancy mechanism is studied in two metals of close packed structure (hcp), namely Hf-α and Zr-α. Computer simulation techniques are used together with many-body potentials of the embedded atom type. Defect properties are calculated at 0K by molecular static while molecular dynamic is used to explore a wide temperature range.

Keywords

self-diffusion, computer simulation, transition metals, molecular dynamic, hexagonal structure

self-diffusion, computer simulation, transition metals, molecular dynamic, hexagonal structure