Molecular dynamics simulations of fine structure in oxygenK-edge x-ray emission spectra of liquid water and ice

2009 ◽  
Vol 79 (14) ◽  
Author(s):  
Michael Odelius
Keyword(s):  
Molecular Dynamics ◽  
Fine Structure ◽  
Molecular Dynamics Simulations ◽  
Liquid Water ◽  
Emission Spectra ◽  
X Ray ◽  
Dynamics Simulations

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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