Effective surface tension for small binary clusters by Monte Carlo simulation

2000 ◽  
Author(s):  
J. Kiefer
Keyword(s):  
Surface Tension ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Effective Surface ◽  
Binary Clusters

scholarly journals Monte Carlo Calculations of Effective Surface Tension for Small Clusters

1996 ◽  
Vol 49 (2) ◽  
pp. 425 ◽  
Author(s):  
Barbara N Hale
Keyword(s):  
Surface Tension ◽  
Monte Carlo ◽  
Free Energy ◽  
Water Clusters ◽  
Bulk Liquid ◽  
Effective Surface ◽  
Pair Potentials ◽  
Excess Surface ◽  
Metropolis Monte Carlo ◽  
Small Clusters

In this study we have calculated configurational Helmholtz free energy differences between n and n – 1 molecule water clusters and nand n – 1 atom argon clusters using classical effective atom-atom pair potentials and the Bennett–Metropolis Monte Carlo technique. When plotted versus n–1/ 3 the slope of the free energy differences yields an effective surface tension, σ. It is found that these slopes display a universal (material independent) property related to the excess surface entropy / κ per molecule (or atom), Ω. For most materials (in the bulk liquid state) the latter quantity is about 2. The results indicate that clusters as small as n = 10 display bulk surface free energy properties. The temperature dependence of the effective surface tension for the model water clusters is also investigated and is consistent with a simple scaled form, σ / κTρ2/3liquid ≈ Ω(Tc /T – 1), where Tc = 647 K and Ω = 1�9.

A Monte Carlo simulation on surface tension of liquid nickel

2000 ◽  
Vol 292 (2) ◽  
pp. 203-206 ◽  
Author(s):  
Min Chen ◽  
Chun Yang ◽  
Zeng-Yuan Guo
Keyword(s):  
Surface Tension ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Liquid Nickel

scholarly journals Vapour–liquid interfacial properties of square-well chains from density functional theory and Monte Carlo simulation

2017 ◽  
Vol 19 (19) ◽  
pp. 12296-12309 ◽  
Author(s):  
Francisco José Martínez-Ruiz ◽  
Felipe J. Blas ◽  
A. Ignacio Moreno-Ventas Bravo ◽  
José Manuel Míguez ◽  
Luis G. MacDowell
Keyword(s):  
Density Functional Theory ◽  
Surface Tension ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Density Functional ◽  
Liquid Surface ◽  
Interfacial Properties ◽  
Functional Theory ◽  
Liquid Surface Tension ◽  
Square Well

Vapour–liquid surface tension for tangent (open symbols) and vibrating (filled symbols) square-well chains.

Monte Carlo simulation for surface tension of liquid Co–Mo alloys

2007 ◽  
Vol 87 (9) ◽  
pp. 613-623 ◽  
Author(s):  
W. J. Yao ◽  
F. P. Dai ◽  
B. Wei
Keyword(s):  
Surface Tension ◽  
Monte Carlo Simulation ◽  
Monte Carlo

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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