TY  - JOUR
AU  - Sukhomlinov, Sergey
AU  - Müser, Martin
TI  - Constraints on phase stability, defect energies, and elastic constants of metals described by EAM-type potentials
JO  - Journal of physics / Condensed matter
VL  - 28
IS  - 39
SN  - 1361-648X
CY  - Bristol
PB  - IOP Publ.
M1  - FZJ-2016-04539
SP  - 395701 -
PY  - 2016
AB  - We demonstrate that the embedded-atom method and related potentials predict many dimensionless properties of simple metals to depend predominantly on a single coefficient μ, which typically lies between 0.3 and 0.45. Among other relations presented in this work, we find that ${{E}_{\text{c}}}\propto {{Z}^{\mu}}$ , ${{E}_{\text{v}}}/{{E}_{\text{c}}}=\mu $ , and $G/B\propto \mu $ hold within 25% accuracy and also find a linear dependence of the melting temperature on μ. The used variables are cohesive energy E c, coordination number Z, vacancy energy E v, and bulk modulus B, while G is the average of ordinary and tetragonal shear modulus. We provide analytical arguments for these findings, which are obeyed reasonably well by several metals.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000383803700016
DO  - DOI:10.1088/0953-8984/28/39/395701
UR  - https://juser.fz-juelich.de/record/817960
ER  -