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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.
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.