✦ LIBER ✦

Hydrogen–vacancy interaction in bcc iron: ab initio calculations and thermodynamics

✍ Scribed by Mirzaev, D.A.; Mirzoev, A.A.; Okishev, K.Yu.; Verkhovykh, A.V.

Book ID: 121512890
Publisher: Taylor and Francis Group
Year: 2013
Tongue: English
Weight: 742 KB
Volume: 112
Category: Article
ISSN: 0026-8976
DOI: 10.1080/00268976.2013.861087

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Vacancy–solute interactions in ferromagn

Vacancy–solute interactions in ferromagnetic and paramagnetic bcc iron: Ab initio calculations

✍ O.I. Gorbatov; P.A. Korzhavyi; A.V. Ruban; B. Johansson; Yu.N. Gornostyrev 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 670 KB

Ab initio calculations of vacancy intera

Ab initio calculations of vacancy interactions with solute atoms in bcc Fe

✍ E. Vincent; C.S. Becquart; C. Domain 📂 Article 📅 2005 🏛 Elsevier Science 🌐 English ⚖ 255 KB

Solute Cu plays a major role in the embrittlement of reactor pressure vessel (RPV) steels under radiation. In RPV steels and dilute FeCu alloys, the tomographic atom probe has revealed the formation of Cu atmospheres under neutron flux. More recently the role of other solutes such as Ni, Mn and Si w

First-principles study of the thermodyna

First-principles study of the thermodynamics of hydrogen-vacancy interaction in fcc iron

✍ Nazarov, R.; Hickel, T.; Neugebauer, J. 📂 Article 📅 2010 🏛 The American Physical Society 🌐 English ⚖ 660 KB

Ab initio calculations for the neutral a

Ab initio calculations for the neutral and charged O vacancy in sapphire

✍ Xu, Yong-Nain; Gu, Zhong-Quan; Zhong, Xue-Fu; Ching, W. Y. 📂 Article 📅 1997 🏛 The American Physical Society 🌐 English ⚖ 598 KB

Ab initio calculations of elastic consta

Ab initio calculations of elastic constants and thermodynamic properties of bcc, fcc, and hcp Al crystals under pressure

✍ Sin$rquot$ko, G V; Smirnov, N A 📂 Article 📅 2002 🏛 Institute of Physics 🌐 English ⚖ 210 KB

Ab initio calculations of the oxygen–vac

Ab initio calculations of the oxygen–vacancy dipoles and M centers in CaF2

✍ H. Shi; R.I. Eglitis; G. Borstel 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 787 KB