Bain transformation in CuxPd1-x (x similar to 0.5) alloys: An embedded-atom study

Authors
Donato, MG Ballone, P Giaquinta, PV
Citation
Mg. Donato et al., Bain transformation in CuxPd1-x (x similar to 0.5) alloys: An embedded-atom study, PHYS REV B, 61(1), 2000, pp. 24-27
Citations number
13
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
10980121 → ACNP
Volume
61
Issue
1
Year of publication
2000
Pages
24 - 27
Database
ISI
SICI code
1098-0121(20000101)61:1<24:BTIC(S>2.0.ZU;2-B
Abstract
We investigate the B2 to random-fee structural transformation in CuxPd1-x a lloys as a function of concentration around x = 0.5. The system is modeled by the embedded atom method (EAM), and its free energy is computed by Monte Carlo simulation in the isothermal-isobaric ensemble. Our results show tha t the temperature stability range for the B2 phase is estimated correctly b y the EAM model, while the x dependence of the transformation temperature a round the stoichiometric composition (x = 0.5) is not well reproduced.