期刊
JOURNAL OF ALLOYS AND COMPOUNDS
卷 431, 期 1-2, 页码 23-31出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.jallcom.2006.05.046
关键词
transition metal alloys and compounds; high-pressure; first-principle calculation; thermodynamic properties; mechanical properties
A four-parameter equation of state (EOS), expressed in terms of the equilibrium volume V-0, cohesion energy E-C, isothermal bulk modulus B-0 and its first pressure derivative B'(0), is proposed and proved to performance better for 40 selected metals than the well-known Rose and Vinet equations. Based on the proposed EOS, the thermal expansions a, melting points T-M, ultimate strengths P-C and critical volume V-C are calculated, and interestingly, a unique correlation is observed for all the studied metals, i.e. P-C/B-0/(V-C-V-0)V-0 approximate to 0.31. It turns out that the calculated results are in good agreement with the experimental observations. (c) 2006 Published by Elsevier B.V.
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