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Heat capacity at constant pressure and thermodynamic properties of phase transitions in PbMO3(M=Ti, Zr and Hf)

✍ Scribed by T. Yoshida; Y. Moriya; T. Tojo; H. Kawaji; T. Atake; Y. Kuroiwa


Publisher
Springer Netherlands
Year
2009
Tongue
English
Weight
137 KB
Volume
95
Category
Article
ISSN
0022-5215

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The thermodynamic properties of solid solutions with body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) structures in the Al-TM (TM = Ti, Zr and Hf) systems are calculated from first-principles using cluster expansion (CE), Monte-Carlo simulation and supercell meth