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Application of the embedded atom method to Pb and BeWe have derived the embedding energy functional and two-body potential of the embedded atom method using decreasing exponentials for both the electron density and the two body potential. The embedding function was obtained from the equation of state given by Rose et al. (1984). Because of the form of the embedding function, the equilibrium lattice constant, cohesive energy, and bulk modulus are automatically satisfied. The two parameters phi(e) and gamma of the two-body potential were determined by fitting to shear modulus and the single vacancy formation energy. Contributions of up to the third nearest neighbors were included in the evaluation of the charge density rho and the two-body potential phi. The stability and anisotropy of each structure were estimated and compared with the available experimental data.
Document ID
19930066366
Acquisition Source
Legacy CDMS
Document Type
Conference Proceedings
Authors
Karimi, M.
(NASA Marshall Space Flight Center Huntsville, AL, United States)
Yang, Z.
(Alabama A & M Univ. Huntsville, United States)
Tibbits, P.
(U.S. Navy, Center for Naval Analyses, Alexandria VA, United States)
Ila, D.
(Alabama A & M Univ. Huntsville, United States)
Dalins, I.
(NASA Marshall Space Flight Center Huntsville, AL, United States)
Vidali, G.
(Syracuse Univ. NY, United States)
Date Acquired
August 16, 2013
Publication Date
January 1, 1990
Publication Information
Publisher: Materials Research Society
Subject Category
Solid-State Physics
Accession Number
93A50363
Funding Number(s)
CONTRACT_GRANT: NAG8-127
Distribution Limits
Public
Copyright
Other

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