Molecular Dynamics Study of Fluctuation and Relaxation in Disordered Systems — Liquid and Glass

1992 ◽  
pp. 49-64
Author(s):  
F. Yonezawa ◽  
S. Sakamoto
Keyword(s):  
Molecular Dynamics ◽  
Disordered Systems

scholarly journals Combination of XANES spectroscopy and molecular dynamics to probe the local structure in disordered systems

2001 ◽  
Vol 64 (9) ◽  
Author(s):  
Patrick J. Merkling ◽  
Adela Muñoz-Páez ◽  
Rafael R. Pappalardo ◽  
Enrique Sánchez Marcos
Keyword(s):  
Molecular Dynamics ◽  
Local Structure ◽  
Disordered Systems ◽  
Xanes Spectroscopy

Electron transport in disordered systems: A nonequilibrium quantum-molecular-dynamics approach

1991 ◽  
Vol 43 (13) ◽  
pp. 10928-10932 ◽  
Author(s):  
A. Nakano ◽  
P. Vashishta ◽  
R. K. Kalia
Keyword(s):  
Molecular Dynamics ◽  
Electron Transport ◽  
Disordered Systems ◽  
Quantum Molecular Dynamics

Diffusion of Hydrogen in Amorphous Ni-Zr Alloys

2011 ◽  
Vol 312-315 ◽  
pp. 149-153
Author(s):  
E.A. Pastukhov ◽  
N.I. Sidorov ◽  
A.A. Vostrjakov ◽  
V.P. Chentsov
Keyword(s):  
Molecular Dynamics ◽  
Diffusion Coefficients ◽  
Amorphous Alloys ◽  
Disordered Systems ◽  
Distribution Functions ◽  
Structure Factors ◽  
Partial Distribution ◽  
Diffusion Of Hydrogen ◽  
Dynamics Method ◽  
Zr Alloys

Amorphous alloys Ni64Zr36 and Ni36Zr64 structure and hydrogen mobility are researched by the molecular dynamics method. The analysis of structure factors and partial distribution functions of atoms revealed hydrogen affects the short order parameters of the disordered systems. Diffusion coefficients of hydrogen are shown to depend on its concentration.

Quantitative analysis of XANES spectra of disordered systems based on molecular dynamics

2004 ◽  
Vol 12 (1) ◽  
pp. 75-79 ◽  
Author(s):  
Otello Maria Roscioni ◽  
Paola D'Angelo ◽  
Giovanni Chillemi ◽  
Stefano Della Longa ◽  
Maurizio Benfatto
Keyword(s):  
Molecular Dynamics ◽  
Quantitative Analysis ◽  
Disordered Systems

Nonequilibrium Molecular Dynamics

2017 ◽  
Author(s):  
Billy D. Todd ◽  
Peter J. Daivis
Keyword(s):  
Molecular Dynamics ◽  
Nonequilibrium Molecular Dynamics

Molecular dynamics of cyclohexane guest molecules in the cyclohexane/thiourea inclusion compound: an incoherent quasielastic neutron scattering investigation

1998 ◽  
Vol 93 (4) ◽  
pp. 545-554 ◽  
Author(s):  
MATTHEW JONES ◽  
FRANCOIS GUILLAUME ◽  
KENNETH HARRIS ◽  
ABIL ALIEV ◽  
PASCALE GIRARD ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Neutron Scattering ◽  
Inclusion Compound ◽  
Guest Molecules ◽  
Quasielastic Neutron ◽  
Quasielastic Neutron Scattering
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