skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Phonon dispersion and local density of states in NiPd alloy using modified embedded atom method potential

Abstract

A modified embedded atom method (MEAM) potential model up to second neighbours has been used to calculate the phonon dispersions for Ni{sub 0.55}Pd{sub 0.45} alloy in which Pd is introduced as substitutional impurity. Using the force-constants obtained from MEAM potential, the local vibrational density of states in host Ni and substitutional Pd atoms using Green’s function method has been calculated. The calculation of phonon dispersions of NiPd alloy shows a good agreement with the experimental results. Condition of resonance mode has also been investigated and resonance mode in the frequency spectrum of impurity atom at low frequency is observed.

Authors:
; ;
Publication Date:
OSTI Identifier:
22591269
Resource Type:
Journal Article
Journal Name:
AIP Conference Proceedings
Additional Journal Information:
Journal Volume: 1728; Journal Issue: 1; Conference: ICC 2015: International conference on condensed matter and applied physics, Bikaner (India), 30-31 Oct 2015; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0094-243X
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; DENSITY OF STATES; GREEN FUNCTION; INTERMETALLIC COMPOUNDS; NICKEL; PALLADIUM; PHONONS; POTENTIALS; RESONANCE

Citation Formats

Joshi, Subodh, Chand, Manesh, Dabral, Krishna, and Semalty, P. D., E-mail: semalty@rediffmail.com. Phonon dispersion and local density of states in NiPd alloy using modified embedded atom method potential. United States: N. p., 2016. Web. doi:10.1063/1.4946139.
Joshi, Subodh, Chand, Manesh, Dabral, Krishna, & Semalty, P. D., E-mail: semalty@rediffmail.com. Phonon dispersion and local density of states in NiPd alloy using modified embedded atom method potential. United States. doi:10.1063/1.4946139.
Joshi, Subodh, Chand, Manesh, Dabral, Krishna, and Semalty, P. D., E-mail: semalty@rediffmail.com. Fri . "Phonon dispersion and local density of states in NiPd alloy using modified embedded atom method potential". United States. doi:10.1063/1.4946139.
@article{osti_22591269,
title = {Phonon dispersion and local density of states in NiPd alloy using modified embedded atom method potential},
author = {Joshi, Subodh and Chand, Manesh and Dabral, Krishna and Semalty, P. D., E-mail: semalty@rediffmail.com},
abstractNote = {A modified embedded atom method (MEAM) potential model up to second neighbours has been used to calculate the phonon dispersions for Ni{sub 0.55}Pd{sub 0.45} alloy in which Pd is introduced as substitutional impurity. Using the force-constants obtained from MEAM potential, the local vibrational density of states in host Ni and substitutional Pd atoms using Green’s function method has been calculated. The calculation of phonon dispersions of NiPd alloy shows a good agreement with the experimental results. Condition of resonance mode has also been investigated and resonance mode in the frequency spectrum of impurity atom at low frequency is observed.},
doi = {10.1063/1.4946139},
journal = {AIP Conference Proceedings},
issn = {0094-243X},
number = 1,
volume = 1728,
place = {United States},
year = {2016},
month = {5}
}