About: On the effect of deformation twins on stability of B19' structure in NiTi martensite     Goto   Sponge   NotDistinct   Permalink

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  • 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.
  • 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. (en)
Title
  • On the effect of deformation twins on stability of B19' structure in NiTi martensite
  • On the effect of deformation twins on stability of B19' structure in NiTi martensite (en)
skos:prefLabel
  • On the effect of deformation twins on stability of B19' structure in NiTi martensite
  • On the effect of deformation twins on stability of B19' structure in NiTi martensite (en)
skos:notation
  • RIV/00216305:26210/14:PU107598!RIV15-MSM-26210___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(ED1.1.00/02.0068), P(EE2.3.30.0005), P(GAP107/12/0800), S
http://linked.open...iv/cisloPeriodika
  • 2
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  • 34432
http://linked.open...ai/riv/idVysledku
  • RIV/00216305:26210/14:PU107598
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • nitinol, twinning, structure stabilization, ab initio calculations (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • NL - Nizozemsko
http://linked.open...ontrolniKodProRIV
  • [707A1EA26730]
http://linked.open...i/riv/nazevZdroje
  • COMPUTATIONAL MATERIALS SCIENCE
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http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 87
http://linked.open...iv/tvurceVysledku
  • Pokluda, Jaroslav
  • Černý, Miroslav
  • Šesták, Petr
http://linked.open...ain/vavai/riv/wos
  • 000333972700014
issn
  • 0927-0256
number of pages
http://bibframe.org/vocab/doi
  • 10.1016/j.commatsci.2014.02.012
http://localhost/t...ganizacniJednotka
  • 26210
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