Monte Carlo Simulation of Strain-Enhanced Stereocomplex Polymer Crystallization

2018 ◽  
Vol 122 (48) ◽  
pp. 10928-10933 ◽  
Author(s):  
Xinchao Guan ◽  
Jiping Wang ◽  
Wenbing Hu
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Polymer Crystallization

scholarly journals Monte Carlo Simulation for the Morphology and Kinetics of Spherulites and Shish-Kebabs in Isothermal Polymer Crystallization

2015 ◽  
Vol 2015 ◽  
pp. 1-10 ◽  
Author(s):  
Chunlei Ruan ◽  
Chuntai Liu ◽  
Guoqiang Zheng
Keyword(s):  
Growth Rate ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Monte Carlo Method ◽  
Crystallization Rate ◽  
Polymer Crystallization ◽  
Nucleation Density ◽  
Length Growth ◽  
Average Size ◽  
Kinetics Of

Monte Carlo method is used to capture the evolution of spherulites and shish-kebabs and to predict the crystallization kinetics in isothermal polymer crystallization. Effects of nucleation density and growth rate of spherulites, nucleation density, and length growth rate of shish-kebabs, respectively, on crystallization are investigated. Results show that nucleation densities of both spherulites and shish-kebabs strongly affect crystallization rate as well as morphology. An increase in nucleation density of either spherulites or shish-kebabs leads to a quicker crystallization rate and a smaller average spherulite size. It is also shown that nucleation density of shish-kebabs has a stronger impact on crystallization rate. Growth rate of spherulites and length growth rate of shish-kebabs also have significant effect on crystallization rate and morphology. An increase in growth rate of spherulites or length growth rate of shish-kebabs also speeds up the crystallization rate; additionally, a decrease in growth rate of spherulites or an increase in length growth rate of shish-kebabs results in a more highly anisotropic shish-kebab structure and a smaller average size of spherulites. Results also show that the effect of growth rate of spherulites is more important than the effect of length growth rate of shish-kebabs on crystallization.

Molecular Simulation of Polymer Crystallization under Chain and Space Confinements

2021 ◽  
Author(s):  
Yongqiang Ming ◽  
Zhiping Zhou ◽  
Tongfan Hao ◽  
Yijing Nie
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Melting Temperature ◽  
Molecular Simulation ◽  
Polymer Crystallization ◽  
Confined Systems ◽  
Simulation Results

The polymer crystallization under chain and space confinements are studied by Monte Carlo simulation. Simulation results show that the crystallinity and melting temperature of confined systems increase with the increase...

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.

Sign in / Sign up

Export Citation Format

Share Document