Monte Carlo simulation on the dynamics of a semi-flexible polymer in the presence of nanoparticles

2018 ◽  
Vol 20 (41) ◽  
pp. 26333-26343 ◽  
Author(s):  
Yi Peng ◽  
Huan Zhang ◽  
Xiao-Wei Huang ◽  
Jian-Hua Huang ◽  
Meng-Bo Luo
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Polymer Dynamics ◽  
Polymer Nanoparticle ◽  
Chain Stiffness ◽  
Flexible Polymer ◽  
Semi Flexible Polymer

Polymer dynamics vary non-monotonically with chain stiffness at strong polymer–nanoparticle attraction: stiff polymers can move faster than flexible ones.

Effect of chain stiffness on the morphology of polyelectrolyte complexes. A Monte Carlo simulation study

Polymer ◽  
2010 ◽  
Vol 51 (14) ◽  
pp. 3293-3302 ◽  
Author(s):  
C.F. Narambuena ◽  
E.P.M. Leiva ◽  
M. Chávez-Páez ◽  
E. Pérez
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Simulation Study ◽  
Monte Carlo Simulation Study ◽  
Polyelectrolyte Complexes ◽  
Chain Stiffness

scholarly journals On the Pseudo Phase Diagram of Single Semi-Flexible Polymer Chains: A Flat-Histogram Monte Carlo Study

Polymers ◽  
2017 ◽  
Vol 9 (12) ◽  
pp. 38 ◽  
Author(s):  
Benno Werlich ◽  
Mark Taylor ◽  
Timur Shakirov ◽  
Wolfgang Paul
Keyword(s):  
Phase Diagram ◽  
Monte Carlo ◽  
Monte Carlo Study ◽  
Polymer Chains ◽  
Flexible Polymer ◽  
Semi Flexible Polymer

scholarly journals Some aspects of a two-pore translocation problem

2021 ◽  
Vol 2122 (1) ◽  
pp. 012003
Author(s):  
Aniket Bhattacharya
Keyword(s):  
Brownian Dynamics ◽  
Coarse Grained ◽  
Mean First Passage Times ◽  
Chain Stiffness ◽  
Flexible Polymer ◽  
Simulation Results ◽  
The Right ◽  
Polymer Segment ◽  
Semi Flexible Polymer ◽  
Passage Times

Abstract We report Brownian dynamics (BD) simulation results for a coarse-grained (CG) model semi-flexible polymer threading through two nanopores. Particularly we study a “tug-of-war” situation where equal and opposite forces are applied on each pore to avoid folds for the polymer segment in between the pores. We calculate mean first passage times (MFPT) through the left and the right pores and show how the MFPT decays as a function of the off-set voltage between the pores. We present results for several bias voltages and chain stiffness. Our BD simulation results validate recent experimental results and offer avenues to further explore various aspects of multi-pore translocation problem using BD simulation strategies which we believe will provide insights to design new 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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