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.

Autorentext

Dr. Sevgi Ozdemir Kart received her BS degree in Physics from Middle East Technical University in 1993. She acquired her MS and PhD degrees in Condensed Matter in 1997 and 2004, respectively,at METU. She works as Assistant Professor at Pamukkale University, Physics Department in Denizli,Turkey. She study MD and ab-initio calculations.

Klappentext

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.