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On the Vibrational Entropy of a ½ 〈111〉 {110} Edge Dislocation in B.C.C. Iron
Author(s) -
de Hosson J. Th. M.
Publication year - 1978
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/pssb.2220870118
Subject(s) - anharmonicity , enthalpy , entropy (arrow of time) , thermodynamics , materials science , dislocation , condensed matter physics , statistical physics , physics , chemistry
Abstract A computer simulation study is set up to obtain the vibrational entropy at low temperatures of an edge dislocation. The anharmonic correction to the vibrational entropy at 70 K appears to be about 10%. The contribution of the total entropy to the total free energy is at most 10% of the activation enthalpy for overcoming the Peierls‐Nabarro barrier in the low‐temperature region. A conclusion is made that the results presented here appear to be in reasonable agreement with the experimental data which demonstrate that there is at present no convincing evidence for any considerable activation entropy.