Branched amphiphilic molecules on a water surface: a Monte Carlo simulation

2007 ◽  
pp. 31-34 ◽  
Author(s):  
H. Stettin ◽  
H. -J. Mögel
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Water Surface ◽  
Amphiphilic Molecules

Adsorption of Octyl Cyanide at the Free Water Surface as Studied by Monte Carlo Simulation

2007 ◽  
Vol 111 (21) ◽  
pp. 5885-5895 ◽  
Author(s):  
Pál Jedlovszky ◽  
Lívia B. Pártay
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Water Surface ◽  
Free Water ◽  
Free Water Surface

Adsorption of 1-octanol at the free water surface as studied by Monte Carlo simulation

2004 ◽  
Vol 120 (24) ◽  
pp. 11839-11851 ◽  
Author(s):  
Pál Jedlovszky ◽  
Imre Varga ◽  
Tibor Gilányi
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Water Surface ◽  
Free Water ◽  
Free Water Surface

CONFORMATION OF AMPHIPHILIC MOLECULES GRAFTED OR ADSORBED ON A SOLID SUBSTRATE: MONTE CARLO SIMULATION

1996 ◽  
Vol 07 (01) ◽  
pp. 73-88 ◽  
Author(s):  
DEBASHISH CHOWDHURY ◽  
AMERICO T. BERNARDES ◽  
DIETRICH STAUFFER
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Laboratory Experiments ◽  
Solid Substrate ◽  
Amphiphilic Molecules ◽  
Microscopic Models ◽  
Mc Simulation ◽  
Dynamics Simulations ◽  
Novel Algorithm

We develop a novel algorithm for Monte Carlo (MC) simulation of two microscopic models for monolayers of amphiphilic molecules; in the first model polar heads of the amphiphiles are grafted on to a solid substrate whereas in the second the polar heads are adsorbed on a solid substrate. In both models the hydrophobic tails are in the air above the substrate. Carrying out extensive MC simulations of these models, we compute several quantities which characterise various aspects of the conformations of the amphiphiles. We compare our results with the corresponding results of earlier MC and molecular dynamics simulations as well as laboratory experiments.

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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