Insight into protein topology from Monte Carlo simulations

2002 ◽  
Vol 117 (7) ◽  
pp. 3499-3503 ◽  
Author(s):  
Philippe Derreumaux
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Protein Topology ◽  
Insight Into

Insight into the adsorption mechanism of benzene in HY zeolites: the effect of loading

RSC Advances ◽  
2016 ◽  
Vol 6 (41) ◽  
pp. 34175-34187 ◽  
Author(s):  
Huimin Zheng ◽  
Liang Zhao ◽  
Qing Yang ◽  
Shanqing Dang ◽  
Yuxian Wang ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Inflection Point ◽  
Adsorption Mechanism ◽  
Two Stage ◽  
Hy Zeolites ◽  
Insight Into

An interesting two-stage adsorption mechanism, defined as “ideal adsorption” and “insertion adsorption”, was first proposed for the benzene/HY system by Metropolic Monte Carlo simulations at loadings below and above an “inflection point”.

scholarly journals Kinetic Monte Carlo simulations of organic ferroelectrics

2019 ◽  
Vol 21 (3) ◽  
pp. 1375-1383 ◽  
Author(s):  
Tim D. Cornelissen ◽  
Michal Biler ◽  
Indre Urbanaviciute ◽  
Patrick Norman ◽  
Mathieu Linares ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Model ◽  
Organic Ferroelectrics ◽  
Kinetic Monte Carlo Simulations ◽  
Insight Into

A newly developed kinetic Monte Carlo model for organic ferroelectrics gives insight into switching kinetics.

Low-voltage EDS of magnesium ferrite Dendrites in a FEG-SEM

1996 ◽  
Vol 54 ◽  
pp. 478-479
Author(s):  
Matthew T. Johnson ◽  
Ian M. Anderson ◽  
Jim Bentley ◽  
C. Barry Carter
Keyword(s):  
Monte Carlo ◽  
Quantitative Analysis ◽  
Monte Carlo Simulations ◽  
Cross Section ◽  
Spatial Resolution ◽  
Low Voltage ◽  
Magnesium Ferrite ◽  
X Ray ◽  
Interaction Volume ◽  
Ferrite Spinel

Energy-dispersive X-ray spectrometry (EDS) performed at low (≤ 5 kV) accelerating voltages in the SEM has the potential for providing quantitative microanalytical information with a spatial resolution of ∼100 nm. In the present work, EDS analyses were performed on magnesium ferrite spinel [(MgxFe1−x)Fe2O4] dendrites embedded in a MgO matrix, as shown in Fig. 1. spatial resolution of X-ray microanalysis at conventional accelerating voltages is insufficient for the quantitative analysis of these dendrites, which have widths of the order of a few hundred nanometers, without deconvolution of contributions from the MgO matrix. However, Monte Carlo simulations indicate that the interaction volume for MgFe2O4 is ∼150 nm at 3 kV accelerating voltage and therefore sufficient to analyze the dendrites without matrix contributions.Single-crystal {001}-oriented MgO was reacted with hematite (Fe2O3) powder for 6 h at 1450°C in air and furnace cooled. The specimen was then cleaved to expose a clean cross-section suitable for microanalysis.

MONTE CARLO SIMULATIONS OF ELECTRON DRIFT VELOCITIES IN THE NOBLE GASES AND THEIR MIXTURES

1979 ◽  
Vol 40 (C7) ◽  
pp. C7-63-C7-64
Author(s):  
A. J. Davies ◽  
J. Dutton ◽  
C. J. Evans ◽  
A. Goodings ◽  
P.K. Stewart
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Noble Gases ◽  
Electron Drift
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