Supramolecular Polymer Formation by Metal−Ligand Complexation:  Monte Carlo Simulations and Analytical Modeling

2004 ◽  
Vol 126 (45) ◽  
pp. 14972-14978 ◽  
Author(s):  
Chun-Chung Chen ◽  
Elena E. Dormidontova
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Analytical Modeling ◽  
Supramolecular Polymer ◽  
Polymer Formation ◽  
Metal Ligand

scholarly journals Early stages of phase selection in MOF formation observed in molecular Monte Carlo simulations

RSC Advances ◽  
2019 ◽  
Vol 9 (25) ◽  
pp. 14382-14390
Author(s):  
Stephen A. Wells ◽  
Naomi F. Cessford ◽  
Nigel A. Seaton ◽  
Tina Düren
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Interaction Potentials ◽  
Phase Selection ◽  
Early Stages ◽  
Metal Ligand

Clusters produced in simulations of MOF assembly at metal : ligand ratios of (a) 5 : 1 and (b) 1 : 1 with identical interaction potentials.

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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