DOI: 10.1142/s0217979202011226. MODIFIED EAM POTENTIALS FOR MODELLING STACKING–FAULT BEHAVIOR IN Cu, Al, Au, AND Ni

MODIFIED EAM POTENTIALS FOR MODELLING STACKING–FAULT BEHAVIOR IN Cu, Al, Au, AND Ni

10.1142/s0217979202011226

Crossref journal-article

World Scientific Pub Co Pte Lt

International Journal of Modern Physics B (219)

Abstract

In this paper we have developed empirical Embedded Atom Model potentials, following the fitting scheme proposed by Chantasiriwan and Milstein, in order to describe the stacking fault behaviour of copper, gold, nickel and aluminium. We show that the potentials based on this scheme can be modified to provide reasonable stacking-fault energy values and consequently a better description of the plastic properties. Modifications were done by changing the cut-off distance in case of aluminium and nickel, and in case of gold and copper by also modifying the functional form of the pair-potential. In order to validate these modified potentials we have tested them by studying various properties, such as structural, defect, and surface energies, and phonon spectra and comparing results with those from experiments and other model potentials.

Bibliography

SZELESTEY, P., PATRIARCA, M., PERONDI, L. F., & KASKI, K. (2002). MODIFIED EAM POTENTIALS FOR MODELLING STACKINGâFAULT BEHAVIOR IN Cu, Al, Au, AND Ni. International Journal of Modern Physics B, 16(19), 2823â2835.

Authors 4

P. SZELESTEY (first)
M. PATRIARCA (additional)
L. F. PERONDI (additional)
K. KASKI (additional)

References 20 Referenced 9

10.1103/PhysRevB.29.6443
10.1016/0920-2307(93)90001-U
{'key': 'p_4', 'first-page': '129', 'volume': '14', 'author': 'Jacobsen K. W.', 'year': '1988', 'journal-title': 'Comments Cond. Mat. Phys.'} / Comments Cond. Mat. Phys. by Jacobsen K. W. (1988)
10.1209/0295-5075/26/8/005
10.1103/PhysRevB.33.7983
10.1103/PhysRevB.40.924
10.1103/PhysRevB.53.8956
10.1103/PhysRevB.62.9317
10.1103/PhysRevB.53.14080
10.1103/PhysRevB.58.5996
10.1103/PhysRevB.29.2963
10.1016/0022-3697(70)90134-4
10.1103/PhysRevB.59.3393
10.1103/PhysRevB.41.12441
10.1080/01418618708204485
10.1088/0305-4608/13/12/009
10.1103/PhysRevB.42.5495
10.1088/0305-4608/7/7/018
10.1103/PhysRevB.54.8398
{'key': 'p_23', 'first-page': '410', 'volume': '64', 'author': 'Schilling W.', 'year': '1978', 'journal-title': 'J. Nucl. Mater.'} / J. Nucl. Mater. by Schilling W. (1978)

Dates

Type	When
Created	22 years, 10 months ago (Oct. 1, 2002, 4:07 p.m.)
Deposited	6 years ago (Aug. 7, 2019, 11:31 a.m.)
Indexed	1 year, 11 months ago (Sept. 11, 2023, 3:49 a.m.)
Issued	23 years ago (July 30, 2002)
Published	23 years ago (July 30, 2002)
Published Online	13 years, 7 months ago (Jan. 25, 2012)
Published Print	23 years ago (July 30, 2002)

Funders 0

None

BibTeX

@article{SZELESTEY_2002, title={MODIFIED EAM POTENTIALS FOR MODELLING STACKING–FAULT BEHAVIOR IN Cu, Al, Au, AND Ni}, volume={16}, ISSN={1793-6578}, url={http://dx.doi.org/10.1142/s0217979202011226}, DOI={10.1142/s0217979202011226}, number={19}, journal={International Journal of Modern Physics B}, publisher={World Scientific Pub Co Pte Lt}, author={SZELESTEY, P. and PATRIARCA, M. and PERONDI, L. F. and KASKI, K.}, year={2002}, month=jul, pages={2823–2835} }

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