Icosahedral order in Cu-Zr amorphous alloys studied by means of X-ray absorption fine structure and molecular dynamics simulations

2012 ◽  
Vol 92 (15) ◽  
pp. 1865-1875 ◽  
Author(s):  
J. Antonowicz ◽  
A. Pietnoczka ◽  
T. Drobiazg ◽  
G.A. Almyras ◽  
D.G. Papageorgiou ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Fine Structure ◽  
Molecular Dynamics Simulations ◽  
Amorphous Alloys ◽  
X Ray ◽  
Absorption Fine ◽  
Dynamics Simulations ◽  
X Ray Absorption

Molecular dynamics simulations of EXAFS in germanium

Open Physics ◽  
2011 ◽  
Vol 9 (3) ◽  
Author(s):  
Janis Timoshenko ◽  
Alexei Kuzmin ◽  
Juris Purans
Keyword(s):  
Molecular Dynamics ◽  
Fine Structure ◽  
Molecular Dynamics Simulations ◽  
Multiple Scattering ◽  
Thermal Effects ◽  
Single Scattering ◽  
X Ray ◽  
Classical Molecular Dynamics ◽  
Dynamics Simulations ◽  
X Ray Absorption

AbstractClassical molecular dynamics simulations have been performed for crystalline germanium with the aim to estimate the thermal effects within the first three coordination shells and their influence on the single-scattering and multiple-scattering contributions to the Ge K-edge extended x-ray absorption fine structure (EXAFS).

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