Unsupported nanometer-sized copper clusters studied by electron diffraction and molecular dynamics

1998 ◽  
Vol 58 (8) ◽  
pp. 4917-4926 ◽  
Author(s):  
D. Reinhard ◽  
B. D. Hall ◽  
P. Berthoud ◽  
S. Valkealahti ◽  
R. Monot
Keyword(s):  
Molecular Dynamics ◽  
Electron Diffraction ◽  
Copper Clusters

ISOMERS OF COPPER CLUSTERS OBTAINED BY A MOLECULAR DYNAMICS MODEL

2005 ◽  
Vol 19 (15n17) ◽  
pp. 2359-2364
Author(s):  
LING WANG ◽  
XI-JING NING
Keyword(s):  
Molecular Dynamics ◽  
Tight Binding ◽  
Magic Number ◽  
Tight Binding Model ◽  
Dynamics Model ◽  
Binding Model ◽  
Higher Symmetry ◽  
Empirical Potential ◽  
Copper Clusters ◽  
Moment Approximation

A molecular dynamics model was developed to search for stable copper clusters with up to 60 atoms by Gupts empirical potential based on the second-moment approximation to tight-binding model (TB-SMA). We found that isomers do not emerge until the clusters have more than 7 atoms, getting more for clusters with 30~52 atoms, and the magic number, 13, 19, 23, 26, 28, 32, 38, 43, 46, 49, and 55 have ground clusters with higher symmetry and have few isomers.

Characterization of Amorphous Materials by Electron Diffraction and Atomistic Modeling

2000 ◽  
Vol 6 (4) ◽  
pp. 329-334 ◽  
Author(s):  
D.J.H. Cockayne ◽  
D.R. McKenzie ◽  
W. McBride ◽  
C. Goringe ◽  
D. McCulloch
Keyword(s):  
Molecular Dynamics ◽  
Electron Diffraction ◽  
Diffraction Data ◽  
Amorphous Materials ◽  
Atomistic Modeling ◽  
Amorphous Structures

AbstractThe technique of energy selected electron diffraction gives information about amorphous structures which can be used to characterize amorphous materials in terms of their structure. The diffraction data can be used to refine models obtained using molecular dynamics, resulting in physically reasonable models consistent with the diffraction data.

Laser-induced electron diffraction: a new tool for probing ultrafast molecular dynamics

1996 ◽  
Vol 259 (3-4) ◽  
pp. 313-320 ◽  
Author(s):  
T. Zuo ◽  
A.D. Bandrauk ◽  
P.B. Corkum
Keyword(s):  
Molecular Dynamics ◽  
Electron Diffraction

Ultrafast imaging of molecular dynamics with electron diffraction (Conference Presentation)

2017 ◽  
Author(s):  
Martin Centurion ◽  
Jie Yang ◽  
Markus Guehr ◽  
Xiaozhe Shen ◽  
Renkai Li ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electron Diffraction ◽  
Ultrafast Imaging

MOLECULAR-DYNAMICS SIMULATION OF RADIATION DAMAGE ON COPPER CLUSTERS

2000 ◽  
Vol 11 (05) ◽  
pp. 1025-1032
Author(s):  
ŞAKIR ERKOÇ
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Kinetic Energy ◽  
Potential Energy ◽  
Radiation Damage ◽  
Potential Energy Function ◽  
Dynamics Simulation ◽  
External Radiation ◽  
Empirical Potential ◽  
Copper Clusters

The effect of radiation damage on copper clusters has been investigated by performing molecular-dynamics simulation using empirical potential energy function for interaction between copper atoms. The external radiation is modeled by giving extra kinetic energy in the range of 5–50 eV to initially chosen atom in the cluster. It has been found that the atom having extra kinetic energy dissociates independently from the amount of given energy in the studied range.

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