Published February 25, 2004
| Version v1
Journal article
Ab initio calculations of ideal tensile strength and mechanical stability in copper
Creators
- 1. Institute of Engineering Physics, Faculty of Mechanical Engineering, Brno University of Technology, Technicka 2, CZ-616 69 Brno (Czech Republic)
- 2. Institute of Physics of Materials, Academy of Sciences of the Czech Republic, Zizkova 22, CZ-616 62 Brno, Czech Republic (Czech Republic)
Description
A 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 a 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
Availability note (English)
Available online at http://stacks.iop.org/0953-8984/16/1045/cm4_7_004.pdf or at the Web site for the Journal of Physics. Condensed Matter (ISSN 1361-648X) http://www.iop.org/Additional details
Identifiers
- URL
- http://stacks.iop.org/0953-8984/16/1045/cm4_7_004.pdf; http://www.iop.org/;
- DOI
- 10.1088/0953-8984/16/7/004;
- PII
- S0953-8984(04)71980-3;
Publishing Information
- Journal Title
- Journal of Physics. Condensed Matter
- Journal Volume
- 16
- Journal Issue
- 7
- Journal Page Range
- p. 1045-1052
- ISSN
- 0953-8984
- CODEN
- JCOMEL
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 36004755
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; S36: MATERIALS SCIENCE;
- Descriptors DEI
- COMPARATIVE EVALUATIONS; COMPRESSION; COMPUTERIZED SIMULATION; COPPER; CRYSTALS; LOADING; PRESSURE DEPENDENCE; PRESSURE RANGE GIGA PA; STABILITY; TENSILE PROPERTIES
- Descriptors DEC
- ELEMENTS; EVALUATION; MATERIALS HANDLING; MECHANICAL PROPERTIES; METALS; PRESSURE RANGE; SIMULATION; TRANSITION ELEMENTS