DOI: 10.1557/jmr.1988.0471. Simple embedded atom method model for fcc and hcp metals

Simple embedded atom method model for fcc and hcp metals

10.1557/jmr.1988.0471

Crossref journal-article

Springer Science and Business Media LLC

Journal of Materials Research (297)

Abstract

A procedure based on the embedded atom method (EAM) is presented for developing atomistic models for use in computer simulation calculations, with an emphasis on simple but general schemes for matching experimental data with fitting parameters. Both the electron density function and the two-body potential are taken as exponentially decreasing functions and the model is derived for any choice of cutoff distance. The model has been applied successfully to seven fcc and three hcp metals, but the extension to bcc metals was unsuccessful because of difficulty in matching the shear anisotropy ratio.

Bibliography

Oh, D. J., & Johnson, R. A. (1988). Simple embedded atom method model for fcc and hcp metals. Journal of Materials Research, 3(3), 471â478.

Authors 2

D. J. Oh (first)
R. A. Johnson (additional)

References 39 Referenced 417

10.1103/PhysRevB.32.7685
10.1103/PhysRevB.6.2094
10.1016/0022-3115(84)90433-1
10.1016/S0092-640X(74)80016-1
10.1016/0038-1098(85)90781-1
10.1016/0022-3115(78)90293-3
{'key': 'S0884291400002697_ref028', 'first-page': '616', 'volume': '69 & 70', 'author': 'Balluffi', 'year': '1978', 'journal-title': 'J. Nucl. Mater.'} / J. Nucl. Mater. by Balluffi (1978)
10.1103/PhysRevB.21.2131
10.1103/PhysRevB.35.7423
10.1103/PhysRevB.32.3409
{'key': 'S0884291400002697_ref027', 'volume-title': 'Single Crystal Elastic Constants and Calculated Aggregate Properties: A Handbook', 'author': 'Simmons', 'year': '1971'} / Single Crystal Elastic Constants and Calculated Aggregate Properties: A Handbook by Simmons (1971)
{'key': 'S0884291400002697_ref034', 'volume-title': 'Introduction to Solid State Physics', 'author': 'Kittel', 'year': '1971'} / Introduction to Solid State Physics by Kittel (1971)
10.1016/0039-6028(86)90678-3
10.1557/JMR.1987.0005
10.1116/1.573174
10.1103/PhysRevB.29.2963
10.1103/PhysRevLett.50.1285
{'key': 'S0884291400002697_ref035', 'first-page': '404', 'volume': '270', 'author': 'Janot', 'year': '1970', 'journal-title': 'C. R. Acad. Sci. (Paris)'} / C. R. Acad. Sci. (Paris) by Janot (1970)
10.1103/PhysRevB.22.1564
{'key': 'S0884291400002697_ref005', 'first-page': '29', 'volume-title': 'Computer Simulation In Materials Science', 'author': 'Johnson', 'year': '1987'} / Computer Simulation In Materials Science by Johnson (1987)
{'key': 'S0884291400002697_ref006', 'volume-title': 'Modelling Environmental Effects On Crack Initiation and Propagation', 'author': 'Daw'} / Modelling Environmental Effects On Crack Initiation and Propagation by Daw
10.1103/PhysRevB.34.8486
10.1080/01418618408244210
10.1016/0039-6028(86)90548-0
10.1080/01418618708204485
10.1103/PhysRevB.37.3924
10.1103/PhysRevB.24.3037
{'key': 'S0884291400002697_ref036', 'first-page': '2798', 'volume': '7', 'author': 'Shestopol', 'year': '1966', 'journal-title': 'Sov. Phys. Solid State'} / Sov. Phys. Solid State by Shestopol (1966)
{'key': 'S0884291400002697_ref026', 'first-page': '186', 'volume-title': 'Metals Reference Book', 'author': 'Smith', 'year': '1976'} / Metals Reference Book by Smith (1976)
{'key': 'S0884291400002697_ref030', 'first-page': '59', 'volume-title': 'Vacancies and Interstitials in Metals', 'author': 'Kraftmakher', 'year': '1970'} / Vacancies and Interstitials in Metals by Kraftmakher (1970)
{'key': 'S0884291400002697_ref031', 'first-page': '37', 'volume': '1', 'author': 'Johnson', 'year': '1969', 'journal-title': 'Cryst. Lattic Defects'} / Cryst. Lattic Defects by Johnson (1969)
10.1093/comjnl/7.2.149
32 Daw M. S. , Baskes M. I. , and Foiles S. M. (privatecommunication).
10.1016/0022-3115(81)90580-8
{'key': 'S0884291400002697_ref038', 'first-page': '165', 'volume-title': 'Interatomic Potentials and Crystalline Defects', 'author': 'Johnson', 'year': '1981'} / Interatomic Potentials and Crystalline Defects by Johnson (1981)
10.4028/www.scientific.net/MSF.15-18.849
10.1103/PhysRevB.33.7983
10.1103/PhysRevB.29.6443
10.1103/PhysRev.171.682

Dates

Type	When
Created	17 years, 10 months ago (Sept. 27, 2007, 5:32 a.m.)
Deposited	4 years, 5 months ago (Feb. 24, 2021, 4:41 p.m.)
Indexed	1 month, 1 week ago (July 9, 2025, 6:54 p.m.)
Issued	37 years, 2 months ago (June 1, 1988)
Published	37 years, 2 months ago (June 1, 1988)
Published Online	14 years, 6 months ago (Jan. 31, 2011)
Published Print	37 years, 2 months ago (June 1, 1988)

Funders 0

None

BibTeX

@article{Oh_1988, title={Simple embedded atom method model for fcc and hcp metals}, volume={3}, ISSN={2044-5326}, url={http://dx.doi.org/10.1557/jmr.1988.0471}, DOI={10.1557/jmr.1988.0471}, number={3}, journal={Journal of Materials Research}, publisher={Springer Science and Business Media LLC}, author={Oh, D. J. and Johnson, R. A.}, year={1988}, month=jun, pages={471–478} }

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