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Molecular Dynamics Simulations of Substitutional Diffusion.

Conference ·
Abstract not provided.
Research Organization:
Sandia National Laboratories (SNL-CA), Livermore, CA (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA)
DOE Contract Number:
AC04-94AL85000
OSTI ID:
1400045
Report Number(s):
SAND2016-10255C; 648234
Country of Publication:
United States
Language:
English

References (14)

III–nitrides: Growth, characterization, and properties journal February 2000
Rapid estimation of elastic constants by molecular dynamics simulation under constant stress journal April 2004
Stillinger-Weber potential for the II-VI elements Zn-Cd-Hg-S-Se-Te journal August 2013
A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble journal April 2006
A space–time-ensemble parallel nudged elastic band algorithm for molecular kinetics simulation journal February 2008
Congruent melting of gallium nitride at 6 GPa and its application to single-crystal growth journal October 2003
Melting line of aluminum from simulations of coexisting phases journal February 1994
A climbing image nudged elastic band method for finding saddle points and minimum energy paths journal December 2000
Computer simulation of local order in condensed phases of silicon journal April 1985
Fast Parallel Algorithms for Short-Range Molecular Dynamics journal March 1995
Molecular Dynamics Simulations of Hydrogen Diffusion in Aluminum journal March 2016
Influence of apparatus geometry and deposition conditions on the structure and topography of thick sputtered coatings journal July 1974
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points journal December 2000
Canonical dynamics: Equilibrium phase-space distributions journal March 1985

Cited By (3)

Predictive modeling of misfit dislocation induced strain relaxation effect on self-rolling of strain-engineered nanomembranes journal September 2018
Effect of indium doping on motions of 〈 a 〉-prismatic edge dislocations in wurtzite gallium nitride journal May 2019
Vacancy-assisted core transformation and mobility modulation of a-type edge dislocations in wurtzite GaN journal September 2019

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