Monte Carlo Simulation of Inlayer Structure Formation in Thin Liquid Films

Langmuir ◽  
1994 ◽  
Vol 10 (12) ◽  
pp. 4403-4408 ◽  
Author(s):  
X. L. Chu ◽  
A. D. Nikolov ◽  
D. T. Wasan
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Structure Formation ◽  
Liquid Films ◽  
Thin Liquid Films

scholarly journals Modeling Replenishment of Ultrathin Liquid Perfluoropolyether Z Films on Solid Surfaces Using Monte Carlo Simulation

2014 ◽  
Vol 2014 ◽  
pp. 1-9
Author(s):  
M. S. Mayeed ◽  
T. Kato
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Liquid Films ◽  
Experimental Results ◽  
Solid Surfaces ◽  
Carbon Surface ◽  
Radius Of Gyration ◽  
Constant Multiple ◽  
Molecular Weights ◽  
Lattice Polymer

Applying the reptation algorithm to a simplified perfluoropolyether Z off-lattice polymer model an NVT Monte Carlo simulation has been performed. Bulk condition has been simulated first to compare the average radius of gyration with the bulk experimental results. Then the model is tested for its ability to describe dynamics. After this, it is applied to observe the replenishment of nanoscale ultrathin liquid films on solid flat carbon surfaces. The replenishment rate for trenches of different widths (8, 12, and 16 nms for several molecular weights) between two films of perfluoropolyether Z from the Monte Carlo simulation is compared to that obtained solving the diffusion equation using the experimental diffusion coefficients of Ma et al. (1999), with room condition in both cases. Replenishment per Monte Carlo cycle seems to be a constant multiple of replenishment per second at least up to 2 nm replenished film thickness of the trenches over the carbon surface. Considerable good agreement has been achieved here between the experimental results and the dynamics of molecules using reptation moves in the ultrathin liquid films on solid surfaces.

Replenishment of Ultrathin Liquid Perfluoropolyether Z Films on Solid Surfaces

2011 ◽  
Author(s):  
Mohammed S. Mayeed ◽  
Takahisa Kato
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Liquid Films ◽  
Experimental Results ◽  
Solid Surfaces ◽  
Carbon Surface ◽  
Radius Of Gyration ◽  
Constant Multiple ◽  
Molecular Weights ◽  
Lattice Polymer

Applying the reptation algorithm to a simplified perfluoropolyether Z off-lattice polymer model an NVT Monte Carlo simulation has been performed. Bulk condition has been simulated first to compare the average radius of gyration with the bulk experimental results. Then the model is tested for its ability to describe dynamics. After this, it is applied to observe the replenishment of ultrathin (4 nm thickness) liquid films on solid flat carbon surfaces. The replenishment rate for trenches of different widths (8, 12 and 16 nm for molecular weight of 3840 g/mol and 12 nm for molecular weights of 2500 and 1700 g/mol) between two films of perfluoropolyether Z from the Monte Carlo simulation are compared to those obtained solving the diffusion equation using the experimental diffusion coefficients of Ma et al. with room condition in both the cases. Replenishment per Monte Carlo cycle seems to be a constant multiple of replenishment per second at least up to 2 nm replenished film thickness of the trenches over the carbon surface. Considerable good agreement has been achieved here between the experimental results and the dynamics of molecules using reptation moves in the ultrathin liquid films on solid surfaces.

Phase behavior and structure formation in linear multiblock copolymer solutions by Monte Carlo simulation

2008 ◽  
Vol 128 (16) ◽  
pp. 164906 ◽  
Author(s):  
Marian E. Gindy ◽  
Robert K. Prud’homme ◽  
Athanassios Z. Panagiotopoulos
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Phase Behavior ◽  
Structure Formation ◽  
Multiblock Copolymer

Electron Scattering in Solids

1990 ◽  
Vol 48 (2) ◽  
pp. 4-5
Author(s):  
Ryuichi Shimizu ◽  
Ze-Jun Ding
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Angular Distribution ◽  
Elastic Scattering ◽  
Electron Scattering ◽  
Cross Sections ◽  
Expansion Method ◽  
Electron Excitation ◽  
Partial Wave Expansion ◽  
Backscattered Electrons

Monte Carlo simulation has been becoming most powerful tool to describe the electron scattering in solids, leading to more comprehensive understanding of the complicated mechanism of generation of various types of signals for microbeam analysis.The present paper proposes a practical model for the Monte Carlo simulation of scattering processes of a penetrating electron and the generation of the slow secondaries in solids. The model is based on the combined use of Gryzinski’s inner-shell electron excitation function and the dielectric function for taking into account the valence electron contribution in inelastic scattering processes, while the cross-sections derived by partial wave expansion method are used for describing elastic scattering processes. An improvement of the use of this elastic scattering cross-section can be seen in the success to describe the anisotropy of angular distribution of elastically backscattered electrons from Au in low energy region, shown in Fig.l. Fig.l(a) shows the elastic cross-sections of 600 eV electron for single Au-atom, clearly indicating that the angular distribution is no more smooth as expected from Rutherford scattering formula, but has the socalled lobes appearing at the large scattering angle.

Determination of Stoichiometry of GaAs Component in (Gaas)Ge Epitaxially Grown Thin Films by Electron Microprobe X-Ray Analysis

1990 ◽  
Vol 48 (2) ◽  
pp. 264-265
Author(s):  
D. R. Liu ◽  
S. S. Shinozaki ◽  
R. J. Baird
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Compound Semiconductors ◽  
Energy Dispersive Analysis ◽  
X Ray ◽  
Metastable Alloys ◽  
Lower Voltage

The epitaxially grown (GaAs)Ge thin film has been arousing much interest because it is one of metastable alloys of III-V compound semiconductors with germanium and a possible candidate in optoelectronic applications. It is important to be able to accurately determine the composition of the film, particularly whether or not the GaAs component is in stoichiometry, but x-ray energy dispersive analysis (EDS) cannot meet this need. The thickness of the film is usually about 0.5-1.5 μm. If Kα peaks are used for quantification, the accelerating voltage must be more than 10 kV in order for these peaks to be excited. Under this voltage, the generation depth of x-ray photons approaches 1 μm, as evidenced by a Monte Carlo simulation and actual x-ray intensity measurement as discussed below. If a lower voltage is used to reduce the generation depth, their L peaks have to be used. But these L peaks actually are merged as one big hump simply because the atomic numbers of these three elements are relatively small and close together, and the EDS energy resolution is limited.

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