Detail publikačního výsledku

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

ŠESTÁK, P.; ČERNÝ, M.; POKLUDA, J.

Originální název

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

Anglický název

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

Druh

Článek WoS

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.

Anglický 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

nitinol; twinning; structure stabilization; ab initio calculations

Klíčová slova v angličtině

nitinol; twinning; structure stabilization; ab initio calculations

Autoři

ŠESTÁK, P.; ČERNÝ, M.; POKLUDA, J.

Rok RIV

2015

Vydáno

12.02.2014

Nakladatel

Elsevier

ISSN

0927-0256

Periodikum

COMPUTATIONAL MATERIALS SCIENCE

Svazek

87

Číslo

2

Stát

Nizozemsko

Strany od

107

Strany do

111

Strany počet

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"
}