J 2004

Ab initio calculations of ideal tensile strength and mechanical stability in copper

ČERNÝ, Miroslav, Mojmír ŠOB, Jaroslav POKLUDA and Pavel ŠANDERA

Basic information

Original name

Ab initio calculations of ideal tensile strength and mechanical stability in copper

Name in Czech

Ab initio výpočty ideální tahové pevnosti a mechanické stability mědi

Name (in English)

Ab initio calculations of ideal tensile strength and mechanical stability in copper

Authors

ČERNÝ, Miroslav (203 Czech Republic), Mojmír ŠOB (203 Czech Republic, guarantor), Jaroslav POKLUDA (203 Czech Republic) and Pavel ŠANDERA (203 Czech Republic)

Edition

J. Phys. Condens. Matter, IOP Publishing Ltd, 2004, 0953-8984

Other information

Language

Czech

Type of outcome

Článek v odborném periodiku

Field of Study

10302 Condensed matter physics

Country of publisher

United Kingdom of Great Britain and Northern Ireland

Confidentiality degree

není předmětem státního či obchodního tajemství

Impact factor

Impact factor: 2.049

RIV identification code

RIV/00216224:14330/04:00011215

Organization unit

Faculty of Informatics

UT WoS

000220370000010

Keywords in English

ab initio calculations; theoretical strength; metals

Tags

Změněno: 28/1/2006 23:00, prof. RNDr. Mojmír Šob, DrSc.

Abstract

ORIG EN

V originále

Simulation of a tensile test of copper crystal along the [001] direction is performed using the Vienna ab initio simulation package (VASP). Stability conditions for uniaxially loaded system are presented and analysed and the ideal (theoretical) tensile strength for the loading along the [001] direction is determined to be 9.4 GPa in tension and 3.5 GPa in compression. A comparison with experimental values is performed.

In English

Simulation of a tensile test of copper crystal along the [001] direction is performed using the Vienna ab initio simulation package (VASP). Stability conditions for uniaxially loaded system are presented and analysed and the ideal (theoretical) tensile strength for the loading along the [001] direction is determined to be 9.4 GPa in tension and 3.5 GPa in compression. A comparison with experimental values is performed.\\

Links

AV0Z20410507, plan (intention)
Name: Fyzikální vlastnosti pokročilých materiálů ve vztahu k jejich mikrostruktuře a způsobu přípravy
GA202/03/1351, research and development project
Name: Kvantově-mechanické studium pevnosti, stability a fázových transformací v perspektivních intermetalických sloučeninách
Investor: Czech Science Foundation, Quantum-mechanical studies of strength, stability and phase transformations in advanced intermetallic compounds
IAA1041302, research and development project
Name: Mechanické vlastnosti perspektivních materiálů a stabilita fází s vyšší energií
OC 523.90, research and development project
Name: Teoretická pevnost a začátek skluzu při nanoindentaci