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Thermal Expansion from Universal Potential and Atomic Coordination
Author(s) -
Rochegude P.
Publication year - 1998
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/(sici)1521-3951(199808)208:2<379::aid-pssb379>3.0.co;2-u
Subject(s) - isotropy , thermal expansion , anisotropy , function (biology) , thermal , expression (computer science) , statistical physics , pair potential , volume (thermodynamics) , potential energy , constant (computer programming) , coordination number , orientation (vector space) , thermodynamics , crystal (programming language) , physics , mathematics , classical mechanics , computer science , geometry , quantum mechanics , ion , programming language , evolutionary biology , biology
Attempts have been made to estimate the average thermophysical properties of isotropic or anisotropic crystals with a spherically symmetric potential. Moreover, some authors recently made the assumption that the total internal energy of metals exhibits universal features. In this paper we discuss about the possibility to predict the thermal expansivity, at constant pressure, of any element using the same potential function. The relationships or correlations resulting from the choice of universal potential function to describe the cohesive properties of solids are established. Next, an expression of the volume thermal expansion coefficients is proposed. Comparison with experiment shows that this prediction appears to be a rough approximation when the crystal structure is not taken into account. The thermal expansivity appears in fact to depend upon an effective atomic coordination which is compared with the usual atomic coordination.