Detail publikace

On the effect of deformation twins on stability of B19' structure in NiTi martensite

ŠESTÁK, P. ČERNÝ, M. POKLUDA, J.

Anglický název

On the effect of deformation twins on stability of B19' structure in NiTi martensite

Typ

Článek WoS

Jazyk

en

Originální abstrakt

The present study is focused on discrepancy between theoretically predicted (base centered orthorhombic B33) and experimentally observed (monoclinic B19') ground state structures of NiTi martensite. In particular, we deal with a hypothesis on possible effect of presence of twins on the martensite structure. Several models of (100) twins in NiTi martensite (representing several twin densities) are studied from first principles. Computational supercells are fully optimized in order to reach almost stress-free state for each twin model. Our results show that the presence of twins has a significant influence on crystal geometry that tends to stabilize B19' structure rather than the B33 one, at least for higher twin densities.

Klíčová slova anglicky

nitinol; twinning; structure stabilization; ab initio calculations

Vydáno

2014-02-12

Nakladatel

Elsevier

ISSN

0927-0256

Časopis

COMPUTATIONAL MATERIALS SCIENCE

Ročník

87

Číslo

2

Strany od–do

107–111

Počet stran

5

BIBTEX


@article{BUT105276,
  author="Petr {Šesták} and Miroslav {Černý} and Jaroslav {Pokluda}",
  title="On the effect of deformation twins on stability of B19' structure in NiTi martensite",
  journal="COMPUTATIONAL MATERIALS SCIENCE",
  year="2014",
  volume="87",
  number="2",
  pages="107--111",
  doi="10.1016/j.commatsci.2014.02.012",
  issn="0927-0256"
}