Reverse Monte Carlo modeling of thermal disorder in crystalline materials from EXAFS spectra

2012 ◽  
Vol 183 (6) ◽  
pp. 1237-1245 ◽  
Author(s):  
Janis Timoshenko ◽  
Alexei Kuzmin ◽  
Juris Purans
Keyword(s):  
Monte Carlo ◽  
Reverse Monte Carlo ◽  
Monte Carlo Modeling ◽  
Crystalline Materials ◽  
Thermal Disorder ◽  
Exafs Spectra

Molecular dynamics and reverse Monte Carlo modeling of scheelite-type AWO4(A = Ca, Sr, Ba) WL3-edge EXAFS spectra

2016 ◽  
Vol 91 (11) ◽  
pp. 114001 ◽  
Author(s):  
Aleksandr Kalinko ◽  
Matthias Bauer ◽  
Janis Timoshenko ◽  
Alexei Kuzmin
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Reverse Monte Carlo ◽  
Monte Carlo Modeling ◽  
Exafs Spectra

Anomalous X-Ray Scattering Investigations on Metallic Glasses

2014 ◽  
Vol 783-786 ◽  
pp. 1907-1912
Author(s):  
Shinya Hosokawa
Keyword(s):  
Monte Carlo ◽  
Neutron Scattering ◽  
Metallic Glasses ◽  
Reverse Monte Carlo ◽  
Monte Carlo Modeling ◽  
Crystalline Materials ◽  
X Ray ◽  
Glass Forming ◽  
X Ray Scattering ◽  
Ray Scattering

In this article, we show principles and advantages of anomalous x-ray scattering in combination with neutron scattering and reverse Monte Carlo modeling to characterize structures of non-crystalline materials, in particular, metallic glasses. Then, we briefly introduce examples of our recent applications to Pd40Ni40P20and Zr63Ni25Al12bulk metallic glasses having good glass-forming abilities.

Local structural characteristics of Sb2Te3 films studied by reverse Monte Carlo modeling

2017 ◽  
Vol 28 (3) ◽  
Author(s):  
Ling Zhang ◽  
San-Nian Song ◽  
He Lin ◽  
Yan Cheng ◽  
Wei Xi ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Structural Characteristics ◽  
Reverse Monte Carlo ◽  
Monte Carlo Modeling

Reverse Monte Carlo modelling of neutron powder diffraction data

1999 ◽  
Vol 55 (5) ◽  
pp. 783-789 ◽  
Author(s):  
A. Mellergård ◽  
R. L. McGreevy
Keyword(s):  
Monte Carlo ◽  
Powder Diffraction ◽  
Direct Calculation ◽  
Neutron Powder Diffraction ◽  
Reverse Monte Carlo ◽  
Powder Diffraction Data ◽  
Crystalline Materials ◽  
Neutron Powder Diffraction Data ◽  
Magnetic Disorder ◽  
Initial Results

A new reverse Monte Carlo (RMC) method for modelling both lattice and magnetic disorder in powder crystalline materials by direct calculation of the structure factor has been developed. The method, the program and the basic theory are described in some detail. Initial results from modelling the lattice and magnetic structure of MnO around the Néel temperature are also presented.

scholarly journals Reverse Monte Carlo modeling of the neutron and X-ray diffraction data for new chalcogenide Ge–Sb–S(Se)–Te glasses

2013 ◽  
Vol 74 (10) ◽  
pp. 1355-1362 ◽  
Author(s):  
M. Fabian ◽  
E. Svab ◽  
V. Pamukchieva ◽  
A. Szekeres ◽  
K. Todorova ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Diffraction Data ◽  
Reverse Monte Carlo ◽  
X Ray Diffraction ◽  
Monte Carlo Modeling ◽  
X Ray
Sign in / Sign up

Export Citation Format

Share Document