Embedded Atom Method for Theoretical Strength and Stability of Some fcc Metals

• Authors: Y. Öztekin Çiftci , K. Çolakoğlu
• Languages of publication: EN

Abstracts

EN

The structural phase transformation and theoretical strength of fcc metals Ni, Cu, Ag, Al, Au, and Pt under [100] uniaxial loading are studied by using analytical embedded-atom-potential method. In the present calculations the stress-free bcc phase is found unstable and fcc phase is found to be stable. The obtained energy differences of fcc-bcc phases are comparable with those found by the first-principles calculations and experiments for all metals considered. The present pair potential in the embedded-atom method is used for the first time for this purpose. Theoretical lattice parameters, volumes, and energies of the bcc and fcc structures for each metal at zero pressure are calculated and compared with the available experimental values. Third-order elastic constants and pressure-volume curves for studied metals are also investigated and found generally good agreement with experiments.

Keywords

EN

64.60.-i; 62.20.-x

Discipline

• 62.20.-x: Mechanical properties of solids
• 64.60.-i: General studies of phase transitions(see also 63.70.+h Statistical mechanics of lattice vibrations and displacive phase transitions; for critical phenomena in solid surfaces and interfaces, and in magnetism, see 68.35.Rh, and 75.40.-s, respectively)

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2001
• Volume: 100
• Issue: 4
• Pages: 539-551

Dates

published

2001-10

received

2001-06-11

Contributors

author

Y. Öztekin Çiftci

• Gazi University, Faculty of Art and Science, Ankara, Türkiye

author

K. Çolakoğlu

• Gazi University, Faculty of Art and Science, Ankara, Türkiye

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Identifiers

DOI

10.12693/APhysPolA.100.539