Analytic model of the shear modulus at all temperatures and densities

被引:97
作者
Burakovsky, L [1 ]
Greeff, CW [1 ]
Preston, DL [1 ]
机构
[1] Los Alamos Natl Lab, Los Alamos, NM 87545 USA
关键词
D O I
10.1103/PhysRevB.67.094107
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
An analytic model of the shear modulus applicable at temperatures up to melt and at all densities is presented. It is based in part on a relation between the melting temperature and the shear modulus at melt. Experimental data on argon are shown to agree with this relation to within 1%. The model of the shear modulus involves seven parameters, all of which can be determined from zero-pressure experimental data. We obtain the values of these parameters for 11 elemental solids. Both the experimental data on the room-temperature shear modulus of argon to compressions of similar to2.5, and theoretical calculations of the zero-temperature shear modulus of aluminum to compressions of similar to3.5 are in good agreement with the model. Electronic-structure calculations of the shear moduli of copper and gold to compressions of 2, performed by us, agree with the model to within uncertainties.
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页数:9
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