Detail publikačního výsledku

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

ČERNÝ, M.; ŠOB, M.; POKLUDA, J.; ŠANDERA, P.

Originální název

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

Anglický název

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

Druh

Článek recenzovaný mimo WoS a Scopus

Originální abstrakt

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.

Anglický abstrakt

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.

Klíčová slova

ab initio, elastic stability, theoretical strength, copper, uniaxial loading

Klíčová slova v angličtině

ab initio, elastic stability, theoretical strength, copper, uniaxial loading

Autoři

ČERNÝ, M.; ŠOB, M.; POKLUDA, J.; ŠANDERA, P.

Rok RIV

2011

Vydáno

06.02.2004

ISSN

0953-8984

Periodikum

JOURNAL OF PHYSICS-CONDENSED MATTER

Svazek

16

Číslo

2

Stát

Spojené království Velké Británie a Severního Irska

Strany od

1045

Strany počet

8

BibTex

@article{BUT42029,
  author="Miroslav {Černý} and Mojmír {Šob} and Jaroslav {Pokluda} and Pavel {Šandera}",
  title="Ab initio calculations of ideal tensile strength and mechanical stability in copper",
  journal="JOURNAL OF PHYSICS-CONDENSED MATTER",
  year="2004",
  volume="16",
  number="2",
  pages="8",
  issn="0953-8984"
}