Physical Properties of Pd, Ni Metals and Their Binary Alloys

Computer modeling of material behavior and material design are becoming reliable tools for scientific investigations. The system-driven computational design approaches save the cost of discovery, by using computers to design, characterize, and optimize materials before beginning the expensive experimental processes of characterization, synthesis, processing and testing. Molecular dynamics is one of commonly used in simulation methods on the molecular scale. This book defines the application of the molecular dynamics simulation to investigate solid, liquid, and glassy properties of Pd-Ni system. It is interested in the concentration and temperature dependence of phonon dispersion relation and elastic constants to show the validity of potential energy function. The melting temperatures for Pd-Ni alloys are predicted. The eutectic alloy is quenched at different cooling rates for the solidification process.This book will be of value to graduate students and researchers in physics and materials science in universities and industrial laboratories.