Strength of bcc crystals under combined shear and axial loading from first principles
The result's identifiers
Result code in 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>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Strength of bcc crystals under combined shear and axial loading from first principles
Original language description
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
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GA106%2F09%2F1524" target="_blank" >GA106/09/1524: First-principles study of mechanical properties of ideal metallic fiber nano-composites</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
COMPUTATIONAL MATERIALS SCIENCE
ISSN
0927-0256
e-ISSN
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Volume of the periodical
55
Issue of the periodical within the volume
1
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
7
Pages from-to
337-343
UT code for WoS article
000300728600044
EID of the result in the Scopus database
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