Self-diffusion in the hexagonal structure of Zirconium and Hafnium: computer simulation studies

Materials Research

Diego Hernán Ruiz²  Luis María Gribaudo¹  Ana María Monti¹ 

[1] ,Universidad Nacional de San Martín Instituto de Tecnología Prof. J. Sabato Buenos Aires,Argentina

关键词: self-diffusion;    computer simulation;    transition metals;   

DOI  :  10.1590/S1516-14392005000400012

来源: SciELO

【 摘 要 】

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

【 授权许可】

CC BY   
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