This paper shows the scattering mechanism at diluted magneticsemiconductors. The doped magnetic atom produces a scattering potential due to becoupled of itinerant carrier spin of host material with magnetic momentum of the dopedmagnetic atom. Formulas of scattering event were rewritten by the plane waveexpansion and then the electron mobility of DMS was calculated. Calculations showKondo effect...

The influence of pre-strain and temperature on the superior properties exhibited by an Nb nanowire embedded in a NiTi shape memory alloy (SMA) are investigated via molecular dynamics simulations. To this end, new Nb-Ni-Ti ternary interatomic potential based second nearest-neighbor modified embedded-atom method (2NN MEAM) is developed employed. origin unique phenomena quasi-linear elasticity, sl...

Phase behaviors of binary alloys with an embedded atom model potential are investigated using the thermodynamic perturbation theory. The free energies of the liquid and solid phases are computed using the fundamental measure density functional theory and accurate approximations to the hard-sphere mixture correlation functions. The method is applied to calculate the Au-Cu alloy phase diagram. To...

In this paper, we compare a variety of properties of liquid nickel calculated with two different embedded atom model functions @J. Cai and Y. Y. Ye, Phys. Rev. B 54, 8398 ~1996!; M. I. Baskes, J. I. Angelo, and N. R. Moody, in Hydrogen Effects on Material Behavior, edited by N. R. Moody and A. W. Thomson ~The Minerals, Metals, and Materials Society, Warrendale, PA, 1995!# and four variations of...

We perform atomistic simulations of dislocation nucleation in defect free crystals in 2 and 3 dimensions during indentation with circular (2D) or spherical (3D) indenters. The kinematic structure of the theory of Field Dislocation Mechanics (FDM) is shown to allow the identification of a local feature of the atomistic velocity field in these simulations as indicative of dislocation nucleation. ...

In order to study the low temperature phase transition in CaCd6, which is attributed to a reordering of the innermost tetrahedral cluster shells, accurate Embedded-Atom-Method potentials are developed for this system. With these potentials, the ideal cluster structure and the couplings between neighbouring clusters are determined. From these data, an effective hamiltonian for the cluster orient...

Hybrid reverse Monte Carlo simulations of the structure of Zr50Cu45Al5 bulk metallic glass incorporating medium-range structure from fluctuation electron microscopy data and short-range structure from an embedded atom potential produce structures with significant fractions of icosahedral- and crystal-like atomic clusters. Similar clusters group together into nanometer-scale regions, and relaxat...