Change search
ReferencesLink to record
Permanent link

Direct link
Ordering in V-O and V-N solid solutions: Computer simulation
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Multiscale Materials Modelling.
2014 (English)In: Bulletin of the Russian Academy of Sciences: Physics, ISSN 1062-8738, Vol. 78, no 10, 1030-1034 p.Article in journal (Refereed) Published
Abstract [en]

The atomic structures of interstitial solid solutions O and N in V at relatively low concentrations O(N)/V = 1/16 or 1/8 are calculated using the Monte Carlo method. A combined model of long-range interaction between interstitial atoms is employed. The first 12 shells contain ab initio energies and the energies in shells 13–18 are calculated on the basis of a phenomenological model of deformation interaction. The ordered solid solutions are long-period structures with body-centered tetragonal crystal lattices and tetragonality c/a < 1.

Place, publisher, year, edition, pages
2014. Vol. 78, no 10, 1030-1034 p.
Keyword [en]
Computer simulation, Crystal atomic structure, Monte Carlo methods, Deformation interactions, Interstitial atoms, Long range interactions, Long-period structure, Low concentrations, Ordered solid solutions, Phenomenological modeling, Tetragonal crystals
National Category
Other Physics Topics
URN: urn:nbn:se:kth:diva-161698DOI: 10.3103/S1062873814100050ScopusID: 2-s2.0-84910150988OAI: diva2:795408

QC 20150316

Available from: 2015-03-16 Created: 2015-03-13 Last updated: 2015-03-16Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopus

Search in DiVA

By author/editor
Ruban, Andrei V.
By organisation
Multiscale Materials Modelling
Other Physics Topics

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 27 hits
ReferencesLink to record
Permanent link

Direct link