%0 Journal Article %1 Ref:finnissinclair %A Finnis, M. W. %A Sinclair, J. E. %D 1984 %I Taylor & Francis %J Philosophical Magazine A %K potential %N 1 %P 45--55 %R 10.1080/01418618408244210 %T A simple empirical <i>N</i>-body potential for transition metals %U http://dx.doi.org/10.1080/01418618408244210 %V 50 %X A simple form of multi-ion interaction has been constructed for the purpose of atomistic simulation of transition metals. The model energy consists of a bonding term, which is the square-root of a site density &b.rho;<i>i</i>, summed over atoms <i>i</i>, and a repulsive pairwise term of the form The site density &b.rho;<i>i</i> is defined as sum over neighbouring sites <i>j</i> of a cohesive potential &b.phis;(<i>R</i>_ij). Both <i>V</i> and &b.phis; are assumed to be short-ranged and are parameterized to fit the lattice constant, cohesive energy and elastic moduli of the seven body-centred-cubic (b.c.c.) transition metals. The result is a simple model which, unlike a pair-potential model, can account for experimental vacancy-formation energies and does not require an externally applied pressure to balance the “Cauchy pressure”.

@article{Ref:finnissinclair, abstract = {A simple form of multi-ion interaction has been constructed for the purpose of atomistic simulation of transition metals. The model energy consists of a bonding term, which is the square-root of a site density \&b.rho;<i>i</i>, summed over atoms <i>i</i>, and a repulsive pairwise term of the form The site density \&b.rho;<i>i</i> is defined as sum over neighbouring sites <i>j</i> of a cohesive potential \&b.phis;(<i>R</i>_ij). Both <i>V</i> and \&b.phis; are assumed to be short-ranged and are parameterized to fit the lattice constant, cohesive energy and elastic moduli of the seven body-centred-cubic (b.c.c.) transition metals. The result is a simple model which, unlike a pair-potential model, can account for experimental vacancy-formation energies and does not require an externally applied pressure to balance the “Cauchy pressure”.}, added-at = {2009-05-19T18:00:18.000+0200}, author = {Finnis, M. W. and Sinclair, J. E.}, biburl = {https://www.bibsonomy.org/bibtex/2b9e935ff094c61701d849feb37100578/earthfare}, citeulike-article-id = {4544878}, description = {CiteULike: Everyone's library}, doi = {10.1080/01418618408244210}, interhash = {a71a80f7882a82be815cc523aee3d8c3}, intrahash = {b9e935ff094c61701d849feb37100578}, journal = {Philosophical Magazine A}, keywords = {potential}, number = 1, pages = {45--55}, posted-at = {2009-05-19 13:25:23}, priority = {0}, publisher = {Taylor \& Francis}, timestamp = {2009-05-19T18:03:27.000+0200}, title = {A simple empirical <i>N</i>-body potential for transition metals}, url = {http://dx.doi.org/10.1080/01418618408244210}, volume = 50, year = 1984 }