scholarly journals Determination of the structural properties of the aqueous electrolyteLiCl6H2Oat the supercooled state using the Reverse Monte Carlo (RMC) simulation

2017 ◽  
Vol 186 ◽  
pp. 012010
Author(s):  
M. ZIANE ◽  
M. HABCHI ◽  
A. DEROUICHE ◽  
S.M. MESLI ◽  
F. BENZOUINE ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Structural Properties ◽  
Reverse Monte Carlo ◽  
Supercooled State

scholarly journals Determination of Internal Density Profiles of Smart Acrylamide-Based Microgels by Small-Angle Neutron Scattering: A Multishell Reverse Monte Carlo Approach

Langmuir ◽  
2018 ◽  
Vol 34 (50) ◽  
pp. 15403-15415 ◽  
Author(s):  
Marian Cors ◽  
Lars Wiehemeier ◽  
Yvonne Hertle ◽  
Artem Feoktystov ◽  
Fabrice Cousin ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Neutron Scattering ◽  
Small Angle ◽  
Small Angle Neutron Scattering ◽  
Reverse Monte Carlo ◽  
Density Profiles ◽  
Monte Carlo Approach

Structural properties of poly(propylene oxide) from diffraction experiments and reverse Monte Carlo simulation

1998 ◽  
Vol 109 (19) ◽  
pp. 8719-8728 ◽  
Author(s):  
P. Carlsson ◽  
J. Swenson ◽  
L. Börjesson ◽  
L. M. Torell ◽  
R. L. McGreevy ◽  
...  
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Structural Properties ◽  
Propylene Oxide ◽  
Reverse Monte Carlo ◽  
Reverse Monte Carlo Simulation ◽  
Poly Propylene

scholarly journals Determination of the Partial Structure Factors of Amorphous CuZr by Anomalous X-Ray Scattering and Reverse Monte Carlo

1996 ◽  
Vol 51 (1-2) ◽  
pp. 71-82
Author(s):  
M. Bionducci ◽  
F. Buffa ◽  
G. Licheri ◽  
G. Navarra ◽  
B. Bouchet-Fabre ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Linear Equations ◽  
Local Order ◽  
Reverse Monte Carlo ◽  
Partial Structure ◽  
X Ray ◽  
X Ray Scattering ◽  
Structure Factors ◽  
Ray Scattering

Abstract Anomalous X-ray Scattering experiments have been performed to study the local order in an amorphous CuZr sample prepared by mechanical alloying. The three partial structure factors were extracted both using a regularization algorithm to solve an ill-conditioned system of linear equations and applying the reverse Monte Carlo technique to the experimental data. Then the short range atomic distributions of similar samples prepared by different methods and investigated by different techniques are compared.

Reverse Monte Carlo Analysis of Powder Patterns

1996 ◽  
Vol 29 (3) ◽  
pp. 285-290 ◽  
Author(s):  
W. Montfrooij ◽  
R. L. McGreevy ◽  
R. Hadfield ◽  
N. H. Andersen
Keyword(s):  
Monte Carlo ◽  
Bragg Peak ◽  
Monte Carlo Analysis ◽  
Monte Carlo Algorithm ◽  
Reverse Monte Carlo ◽  
Peak Intensity ◽  
Thermal Displacements ◽  
Diffraction Patterns ◽  
Best Fit

A Monte Carlo algorithm for the analysis of powder diffraction patterns is presented. One aim of this algorithm, which can be used as a supplement to the regular Rietveld refinement, is to provide a self-consistent determination of the thermal displacements of the atoms. This is achieved by modelling the total scattered intensity, comprising both the Bragg peak intensity and the diffuse contribution to the spectrum from the scattering density of an assembly of atoms. This assembly, which is constructed by the reverse Monte Carlo technique so as to yield a best fit with the data, is then used to calculate the average atomic thermal displacements. This allows for a refinement that, in principle, no longer requires angle-dependent background parameters, and that is well suited for dealing with highly anisotropic Debye–Waller factors and split atomic sites.

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