DEFECT CONFIGURATION AND ENERGY COMPUTATION IN SIMPLE METALSReportar como inadecuado




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Abstract : By using the Hartree method and the results of pseudo-potentials theory, the energy of simple metals can be put as follows : E = MATH Ei + MATH W|ri – rj| ri and rj characterizing the positions of two atoms. At constant volume, Ei is constant and variations of the crystal energy depend only on the pair interaction contribution. This result has been used to compute stacking fault energies and dislocations core configurations in simple metals.





Autor: J. Grilhe P. Beauchamp

Fuente: https://hal.archives-ouvertes.fr/



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