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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26210%2F14%3APU107598" target="_blank" >RIV/00216305:26210/14:PU107598 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.commatsci.2014.02.012" target="_blank" >http://dx.doi.org/10.1016/j.commatsci.2014.02.012</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.commatsci.2014.02.012" target="_blank" >10.1016/j.commatsci.2014.02.012</a>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2014

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

COMPUTATIONAL MATERIALS SCIENCE

ISSN

0927-0256

e-ISSN

1879-0801

Svazek periodika

87

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

5

Strana od-do

107-111

Kód UT WoS článku

000333972700014

EID výsledku v databázi Scopus

2-s2.0-84897727227