Monte Carlo Simulations of the Uptake of Chiral Compounds on Solid Surfaces

2017 ◽  
Vol 122 (2) ◽  
pp. 444-454 ◽  
Author(s):  
Stavros Karakalos ◽  
Francisco Zaera
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Solid Surfaces ◽  
Chiral Compounds

Spreading Characteristics of Molecularly Thin Lubricant on Surfaces With Groove-Shaped Textures: Effects of Molecular Weight and End-Group Functionality

2003 ◽  
Vol 125 (2) ◽  
pp. 350-357 ◽  
Author(s):  
Hedong Zhang ◽  
Yasunaga Mitsuya ◽  
Maiko Yamada
Keyword(s):  
Molecular Weight ◽  
Monte Carlo ◽  
Monte Carlo Method ◽  
Ising Model ◽  
Monte Carlo Simulations ◽  
Simulation Method ◽  
Solid Surfaces ◽  
The Monte Carlo Method ◽  
End Groups ◽  
End Group

Effects of molecular weight and end-group functionality on spreading of molecularly thin perfluoropolyether (PFPE) film over solid surfaces with groove-shaped textures have been studied by experiments and Monte Carlo simulations. In the experiments, lubricant spreading on a surface with groove-shaped textures was measured by making use of the phenomenon in which diffracted light weakens in the lubricant-covered region. It is found that grooves serve to accelerate spreading and this effect increases for deeper grooves, and also the accelerating rate becomes larger for a lubricant having a larger molecular weight or functional end-groups. In the simulations, the Monte Carlo method based on the Ising model was extended to enable us to evaluate the effect of molecular weight on the spreading of non-functional lubricant inside a groove. The validity of the newly developed simulation method was well confirmed from the agreement between the simulation and experimental results.

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.

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