Surface structure and lattice dynamics of KI(001) studied by high-resolution ion scattering combined with molecular dynamics simulation

2002 ◽  
Vol 66 (12) ◽  
Author(s):  
T. Okazawa ◽  
T. Nishimura ◽  
Y. Kido
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
High Resolution ◽  
Surface Structure ◽  
Lattice Dynamics ◽  
Dynamics Simulation ◽  
Ion Scattering

Molecular dynamics simulation study of various zeolitic imidazolate framework structures

2016 ◽  
Vol 45 (10) ◽  
pp. 4289-4302 ◽  
Author(s):  
Min Gao ◽  
Alston J. Misquitta ◽  
Leila H. N. Rimmer ◽  
Martin T. Dove
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Simulation Study ◽  
Lattice Dynamics ◽  
Dynamics Simulation ◽  
Zeolitic Imidazolate Framework ◽  
Dynamics Simulations

We report the results of a series of molecular dynamics simulations on a number of zinc zeolitic imidazolate framework (ZIF) structures together with some lattice dynamics calculations on ZIF-4, providing information about the flexibilities of these structures.

Growth and lattice dynamics of Co nanoparticles embedded in Ag: A combined molecular-dynamics simulation and Mössbauer study

2000 ◽  
Vol 62 (8) ◽  
pp. 5117-5128 ◽  
Author(s):  
Marc Hou ◽  
Mahjoub El Azzaoui ◽  
Hugo Pattyn ◽  
Joris Verheyden ◽  
Gerhard Koops ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Lattice Dynamics ◽  
Dynamics Simulation ◽  
Mössbauer Study ◽  
Co Nanoparticles
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