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Interatomic potential
Known as:
Interatomic potentials
Interatomic potentials are mathematical functions for calculating the potential energy of a system of atoms with given positions in space…
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Related topics
Related topics
16 relations
Approximation
Bond order potential
Buckingham potential
Density functional theory
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Broader (1)
Computational physics
Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
2015
2015
Implementation of Shifted Periodic Boundary Conditions in the Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) Software
N. Weingarten
,
J. Larentzos
2015
Corpus ID: 61866289
Abstract : To observe screw dislocation motion on an infinite glide plane in atomistic simulations, shifted periodic boundary…
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2015
2015
Film-substrate hydrodynamic interaction initiated by femtosecond laser irradiation
V. Khokhlov
,
N. Inogamov
,
V. Zhakhovsky
,
D. Ilnitsky
,
K. Migdal
,
V. Shepelev
2015
Corpus ID: 136153805
Action of an ultrashort single laser pulse onto a thin metal film is considered. Disruption of a plane freestanding film quickly…
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2011
2011
Conversion of ethanol to acetone & other produces using nano-sensor SnO2(110): Ab initio DFT
L. Mahdavian
2011
Corpus ID: 62803119
The material considered in this study, SnO2 (110), has a widespread use as gas sensor and oxygen vacancies are known to act as…
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2005
2005
Double VNS for the Molecular Distance Geometry Problem
L. Liberti
,
C. Lavor
,
N. Maculan
2005
Corpus ID: 15388064
In this paper we propose a VNS-based algorithm for the solution of the Molecular Distance Geometry Problem. First, we use VNS to…
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2002
2002
Effects of Defects on the Strength of Nanotubes: Experimental-Computational Comparisons
T. Belytschko
,
S. Xiao
,
R. Ruoff
2002
Corpus ID: 55901068
The failure stresses and strains of nanotubes given by theoretical or numerical predictions are much higher than observed in…
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2001
2001
Four-Reference State-Specific Brillouin-Wigner Coupled-Cluster Method: Study of the IBr Molecule
J. Pittner
,
Ondřej Demel
,
P. Čársky
,
I. Hubač
2001
Corpus ID: 11955448
We implemented the state-specific Brillouin–Wigner coupled-cluster method for the complete model space spanned by four reference…
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1991
1991
Kinks in the Klein-Gordon model with anharmonic interatomic interactions : a variational approach
O. Braun
,
Z. Fei
,
Luis Vhzquez
1991
Corpus ID: 18664535
We consider the nonlinear Klein-Gordon chain including anharmonic interatomic interactions. We use a direct perturbation method…
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Highly Cited
1982
Highly Cited
1982
Multiproperty empirical interatomic potentials for ArXe and KrXe
R. T. Pack
,
J. Valentini
,
C. Becker
,
R. Buss
,
Yuan‐Pern Lee
1982
Corpus ID: 97018812
Crossed molecular beam measurements of elastic differential cross sections (DCS) for the scattering of Ar and Kr by Xe are…
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1973
1973
ATOMISTIC CALCULATIONS ON EDGE DISLOCATIONS IN IONIC CRYSTALS OF ROCK SALT STRUCTURE
F. Granzer
,
V. Belzner
,
M. Bücher
,
P. Petrasch
,
C. Teodosiu
1973
Corpus ID: 53496248
For the first time atomistic calculations of the core configuration of edge dislo- cations in NaCI-type crystals have been…
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1940
1940
The Extra Spots of the Laue Photograph
W. Bragg
Nature
1940
Corpus ID: 33734462
SEVERAL workers have recently discussed the diffuse spots which often appear in Laue X-ray crystal photographs and do not belong…
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