Strength of bcc crystals under combined shear and axial loading from first principles

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26210%2F12%3APU95116" target="_blank" >RIV/00216305:26210/12:PU95116 - isvavai.cz</a>

Výsledek na webu

—

DOI - Digital Object Identifier

—

Jazyk výsledku

angličtina

Název v původním jazyce

Strength of bcc crystals under combined shear and axial loading from first principles

Popis výsledku v původním jazyce

Ab initio simulations of uniaxial tensile and compressive loading in <110> direction, <111>{110} shear and their superposition in six perfect crystals of bcc metals are performed using a plane wave code working within the framework of density functionaltheory. Under uniaxial compression, the crystal lattice transforms along an orthorhombic path that connects two bcc states and goes through one or two states of tetragonal symmetry. Such structural transformations determine compressive strengths of bcc crystals. On the other hand, reaching the maximum tensile stress coincides with vanishing of the shear strength in lattice planes perpendicular to the loading axis. The theoretical shear strength is found to be a decreasing (increasing) function of the applied tensile (compressive) normal stress in most studied cases. One of potential applications of this particular result is a prediction of shear instabilities in crystal lattices during tensile tests. Estimated critical tensile stresses

Název v anglickém jazyce

Strength of bcc crystals under combined shear and axial loading from first principles

Popis výsledku anglicky

Ab initio simulations of uniaxial tensile and compressive loading in <110> direction, <111>{110} shear and their superposition in six perfect crystals of bcc metals are performed using a plane wave code working within the framework of density functionaltheory. Under uniaxial compression, the crystal lattice transforms along an orthorhombic path that connects two bcc states and goes through one or two states of tetragonal symmetry. Such structural transformations determine compressive strengths of bcc crystals. On the other hand, reaching the maximum tensile stress coincides with vanishing of the shear strength in lattice planes perpendicular to the loading axis. The theoretical shear strength is found to be a decreasing (increasing) function of the applied tensile (compressive) normal stress in most studied cases. One of potential applications of this particular result is a prediction of shear instabilities in crystal lattices during tensile tests. Estimated critical tensile stresses

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BM - Fyzika pevných látek a magnetismus

OECD FORD obor

—

Projekt

<a href="/cs/project/GA106%2F09%2F1524" target="_blank" >GA106/09/1524: Prvoprincipiální studium mechanických vlastností ideálních kovových vláknových nanokompozitů</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2012

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

—

Svazek periodika

55

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

7

Strana od-do

337-343

Kód UT WoS článku

000300728600044

EID výsledku v databázi Scopus

—