✦ LIBER ✦

Ab initio thermodynamics of metals: Al and W

✍ Scribed by Debernardi, A.; Alouani, M.; Dreyssé, H.

Book ID: 121663359
Publisher: The American Physical Society
Year: 2001
Tongue: English
Weight: 114 KB
Volume: 63
Category: Article
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.63.064305

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio thermodynamics of metals: Pt a

Ab initio thermodynamics of metals: Pt and Ru

✍ Nie Yaozhuang; Xie Youqing; Peng Hongjian; Li Xiaobo 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 166 KB

Ab initio morphology and surface thermod

Ab initio morphology and surface thermodynamics of

✍ Marmier, Arnaud; Parker, Stephen C. 📂 Article 📅 2004 🏛 The American Physical Society 🌐 English ⚖ 694 KB

Thermodynamic and ab initio investigatio

Thermodynamic and ab initio investigation of the Al–H–Mg system

✍ M. Palumbo; F.J. Torres; J.R. Ares; C. Pisani; J.F. Fernandez; M. Baricco 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 935 KB

Ab initio thermodynamics beyond the quas

Ab initio thermodynamics beyond the quasiharmonic approximation: W as a prototype

✍ Xiang, Shikai; Xi, Feng; Bi, Yan; Xu, Ji'an; Geng, Huayun; Cai, Lingcang; Jing, 📂 Article 📅 2010 🏛 The American Physical Society 🌐 English ⚖ 305 KB

Recent developments in ab initio thermod

Recent developments in ab initio thermodynamics

✍ D. Alfè; G. A. de Wijs; G. Kresse; M. J. Gillan 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 199 KB 👁 2 views

It has recently become possible to calculate the free energy and other thermodynamic functions of solids and liquids using density functional theory to treat the quantum mechanics of the electrons. We present the main ideas that have made this possible, emphasizing the key role of thermodynamic inte

Ab initio calculation of the thermodynam

Ab initio calculation of the thermodynamic properties of liquid alkali metals

✍ V. A. Krashaninin; A. A. Yur’ev; E. A. Yur’ev 📂 Article 📅 2011 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 233 KB