OpenKIM Username: erkoc
OpenKIM User ID: f762f01f-5826-443f-9943-80d2e790e3e7
Description of Work —
Several interatomic potentials have been developed to investigate the structural properties of materials in various forms, such as cluster, surface, bulk.
MaterialsMaterials belonging to the natural crystalline forms in fcc, bcc, dia, hcp structures. I have developed nine different potential functions, each function has been parameterized for several elements as
the following list:
(I): Cu, Ag, Au, La, Lu, U;
(II): W, Xe, Ni;
(IV): Ag, Al, Au, Cu, Ni, Fe, Li, C, Ge, Si, Cs, K, Na, Ca, Pb, Pd, Pt, Cd, Mg, Sc, Ti, Zn;
(V): Ag, Al, Au, Cu, Ni, Pb, Pd, Pt, C, Si, Ge, Li, Na, K, Cs, Fe, V, Cr, Nb, As, Sb, Bi;
(VI): Au, Ag, Cu;
(VIII): Kr, Xe, Al, Cu, Pb, Pd;
BibliographyMy bibliography may be found in my web page. However, the details of the potentials may be found in the following two reviews:
S. Erkoc, Physics Report 278, 79-105(1997).
S. Erkoc, Annual Review of Computational Physics IX, 1-103(2001). Ed. D. Stauffer, World Scientific.
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