Zobrazeno 1 - 3
of 3
pro vyhledávání: '"E P Isoardi"'
Publikováno v:
Modelling and Simulation in Materials Science and Engineering. 8:389-401
The structures and energetics of Cu-Au alloys over a wide range of temperatures are studied using a combination of quasi-harmonic (QH) lattice dynamics and Monte Carlo (MC) simulations at constant temperature and constant pressure. The many-body pote
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::62e2e1851624d0bef5927b0f2cc03caf
https://doi.org/10.1088/0965-0393/8/3/317
https://doi.org/10.1088/0965-0393/8/3/317
Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Free energies of Rh-Pd alloys as functions of both temperature and composition are calculated using quasiharmonic lattice dynamics. The free energy of the disordered solid is determined from an ensemble of a large number of randomly generated configu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bb6b7b5232aef8a8572c0610e5ffc5bb
https://doi.org/10.1103/physrevb.71.144202
https://doi.org/10.1103/physrevb.71.144202
Publikováno v:
Physical Review B. 69
We present a method using many-body potentials and lattice statics and quasiharmonic lattice dynamics for the calculation of the free energy of periodic crystals and its analytic derivatives with respect to all external and internal degrees of freedo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2f3ec49860c2b220b8022c6088152dc3
https://doi.org/10.1103/physrevb.69.024303
https://doi.org/10.1103/physrevb.69.024303