Open Access
| Issue |
ESOMAT 2009
2009
|
|
|---|---|---|
| Article Number | 02008 | |
| Number of page(s) | 8 | |
| Section | Principles, Simulations, Materials: Background | |
| DOI | https://doi.org/10.1051/esomat/200902008 | |
| Published online | 01 September 2009 | |
ESOMAT 2009, 02008 (2009)
DOI: 10.1051/esomat/200902008
1 G.V. Kurdyumov`s Institute for Metal Physics, National Academy of Sciences, 36 Vernadsky blvd., UA-03680, Kiev-142, Ukraine
2 Institute of Magnetism, National Academy of Sciences, 36-b Vernadsky blvd., UA-03680, Kiev-142, Ukraine
3 Department MTM, Catholic University of Leuven, Kasteelpark Arenberg 44, B-3001, Heverlee (Leuven), Belgium
gfirst@imp.kiev.ua
Published online: 1 September 2009
© Owned by the authors, published by EDP Sciences 2009
DOI: 10.1051/esomat/200902008
Phase stability during martensitic transformation in ZrCu intermetallics: crystal and electronic structure aspects
G.S. Firstov1, A.N. Timoshevskii2, Yu.N. Koval1, S. Kalkuta2 and J. Van Humbeeck31 G.V. Kurdyumov`s Institute for Metal Physics, National Academy of Sciences, 36 Vernadsky blvd., UA-03680, Kiev-142, Ukraine
2 Institute of Magnetism, National Academy of Sciences, 36-b Vernadsky blvd., UA-03680, Kiev-142, Ukraine
3 Department MTM, Catholic University of Leuven, Kasteelpark Arenberg 44, B-3001, Heverlee (Leuven), Belgium
gfirst@imp.kiev.ua
Published online: 1 September 2009
Abstract
This article is dedicated to the estimation of the relative stability for B2, B19` and Cm phase in ZrCu intermetallic compound through the ab-initio electronic structure calculations and subsequent crystal structure Rietveld refinement. The information about electronic and crystal structure of phases in ZrCu will allow selecting for this high temperature shape memory alloy such alloying elements that will significantly improve shape memory behavior through definite structural changes.
© Owned by the authors, published by EDP Sciences 2009