Electron Scattering from Neon Via Effective Range Theory

Elastic cross-sections for electron scattering on neon from 0 energy up to 16 eV are analyzed by an analytical approach to the modified effective range theory (MERT). It is shown that energy and angular variations of elastic differential, integral and momentum transfer cross-sections can be accurately parameterized by six MERT coefficients up to the energy threshold for the first Feshbach resonance. MERT parameters are determined empirically by numerical comparison with large collection of available experimental data of elastic total (integral) cross-sections. The present analysis is validated against numerous electron beams and swarm experiments. The comparison of derived MERT parameters with those found for other noble gases, helium, argon and krypton, is done. The derived scattering length (for the s-partial wave) in neon, 0.227 a ₀, agrees well with recent theories; it is small but, differently from Ar and Kr, still positive. Analogue parameters for the p-wave and the d-wave are negative and positive respectively for all the four gases compared.     

Monte Carlo Simulation of a Segmented Detector for Low-Energy Electron Antineutrinos

Detection of low-energy electron antineutrinos is of importance for several purposes, such as ex-vessel reactor monitoring, neutrino oscillation studies, etc. The inverse beta decay (IBD) is the interaction that is responsible for detection mechanism in (organic) plastic scintillation detectors. Here, a detailed study will be presented dealing with the radiation and optical transport simulation of a typical segmented antineutrino detector withMonte Carlo method using MCNPX and FLUKA codes. This study shows different aspects of the detector, benefiting from inherent capabilities of the Monte Carlo simulation codes.     

Pairwise clustering using a Monte Carlo Markov Chain

In this work an application of MCMC is proposed for unsupervised data classification, in conjunction with a novel pairwise objective function, which is shown to work well in situations where clusters to be identified have a strong overlap, and the centroid oriented methods (such as K-means) fail by construction. In particular, an exceptionally simple but difficult situation is addressed when cluster centroids coincide, and one can differentiate between the clusters only on the basis of their variance. Performance of the proposed approach is tested on synthetic and real datasets.     

Potential-Decomposition Strategy in Markov Chain Monte Carlo Sampling Algorithms

We introduce the potential-decomposition strategy (PDS), which can be used in Markov chain Monte Carlo sampling algorithms. PDS can be designed to make particles move in a modified potential that favors diffusion in phase space, then, by rejecting some trial samples, the target distributions can be sampled in an unbiased manner. Furthermore, if the accepted trial samples are insufficient, they can be recycled as initial states to form more unbiasedsamples. This strategy can greatly improve efficiency when the original potential has multiple metastable states separated by large barriers. We apply PDS to the 2d Ising model and a double-well potential model with a large barrier, demonstrating in these two representative examples that convergence is accelerated by orders of magnitude.     

Potential-Decomposition Strategy in Markov Chain Monte Carlo Sampling Algorithms

We introduce the potential-decomposition strategy （PDS）, which can be used in Markov chain Monte Carlo sampling algorithms. PDS can be designed to make particles move in a modified potential that favors diffusion in phase space, then, by rejecting some trial samples, the target distributions can be sampled in an unbiased manner. Furthermore, if the accepted trial samples are insumcient, they can be recycled as initial states to form more unbiased samples. This strategy can greatly improve efficiency when the original potential has multiple metastable states separated by large barriers. We apply PDS to the 2d Ising model and a double-well potential model with a large barrier, demonstrating in these two representative examples that convergence is accelerated by orders of magnitude.     

Laser-Assisted Elastic Electron Scattering from Argon

The second Born approximation （SBA） theory is applied to the study of electron-atom scattering in the presence of a CO2 laser field.The absolute differential crass sections of e-Ar scattering are calculated with multiphoton exchange in two special scattering geometries G1 （for small-angle scattering） and G2. For geometry G1, compared with the results of two different model potentials for electron elastic scattering by atoms, it is found that electronatom polarization potential plays an important role in laser-assisted electron-atom scattering. Some calculational results in geometries G2 are given. Our results are found to be better than other theoretical results as compared with the experimental data in geometries G1 and G2.     

The Convergence of Markov Chain Monte Carlo Methods: From the Metropolis Method to Hamiltonian Monte Carlo

From its inception in the 1950s to the modern frontiers of applied statistics, Markov chain Monte Carlo has been one of the most ubiquitous and successful methods in statistical computing. The development of the method in that time has been fueled by not only increasingly difficult problems but also novel techniques adopted from physics. Here, the history of Markov chain Monte Carlo is reviewed from its inception with the Metropolis method to the contemporary state‐of‐the‐art in Hamiltonian Monte Carlo, focusing on the evolving interplay between the statistical and physical perspectives of the method.     

混合模拟方法模拟电子在固体表面的背散射

将电子输运的直接模拟方法和压缩历史方法相结合,建立能量为50 eV~1 GeV范围的电子在介质中输运的混合模拟蒙特卡罗方法.通过调整散射角参数和损失能量参数控制单次碰撞发生的次数,输运过程中单次碰撞采用直接模拟,在两次直接碰撞之间使用压缩历史方法模拟发生的多次小碰撞过程.利用该方法模拟电子在固体表面的背散射过程,探讨不同计算参数对计算效率和结果的影响,计算不同能量电子在固体表面的背散射系数和出射电子能量分布,计算结果与实验数据符合较好.     

Combined constraints on modified Chaplygin gas model from cosmological observed data: Markov Chain Monte Carlo approach

We use the Markov Chain Monte Carlo method to investigate a global constraints on the modified Chaplygin gas (MCG) model as the unification of dark matter and dark energy from the latest observational data: the Union2 dataset of type supernovae Ia (SNIa), the observational Hubble data (OHD), the cluster X-ray gas mass fraction, the baryon acoustic oscillation (BAO), and the cosmic microwave background (CMB) data. In a flat universe, the constraint results for MCG model are, W_bh² = 0.02263^+0.00184_-0.00162 (1s)^+0.00213_-0.00195 (2s){\Omega_{b}h^{2}\,{=}\,0.02263^{+0.00184}_{-0.00162} (1\sigma)^{+0.00213}_{-0.00195} (2\sigma)}, B_s = 0.7788^+0.0736_-0.0723(1s)^+0.0918_-0.0904 (2s){B_{s}\,{=}\,0.7788^{+0.0736}_{-0.0723}(1\sigma)^{+0.0918}_{-0.0904} (2\sigma)}, a = 0.1079^+0.3397_-0.2539 (1s)^+0.4678_-0.2911 (2s){\alpha\,{=}\,0.1079^{+0.3397}_{-0.2539} (1\sigma)^{+0.4678}_{-0.2911} (2\sigma)}, B = 0.00189^+0.00583_-0.00756(1s)^+0.00660_-0.00915 (2s){B\,{=}\,0.00189^{+0.00583}_{-0.00756}(1\sigma)^{+0.00660}_{-0.00915} (2\sigma)}, and H₀=70.711^+4.188_-3.142 (1s)^+5.281_-4.149(2s){H_{0}=70.711^{+4.188}_{-3.142} (1\sigma)^{+5.281}_{-4.149}(2\sigma)}.     

Low-Energy Scattering of Heavy-Light Mesons from Nucleons

We study the low-energy scattering of charmed (D) and strange (K) mesons by nucleons. The short-distance part of the interaction is due to quark-gluon interchanges derived from a model that realizes dynamical chiral symmetry breaking and confines color. The quark-gluon interaction incorporates a confining Coulomb-like potential extracted from lattice QCD simulations in Coulomb gauge and a transverse hyperfine interaction consistent with a finite gluon propagator in the infrared. The long-distance part of the interaction is due to single vector (??, ??) and scalar (??) meson exchanges. We show results for scattering cross-sections for isospin I?=?0 and I?=?1.     

Cross Sections of Elastic Electron and Positron Scattering from Proton-Rich Nuclei

We investigate the cross sections of the elastic electron or positron scat tering from 208 Pb, ^12C ^12,16O and ^28,32S by the relativistic partial-wave expansion method using the static charge density distribution from the self-consistent relativistic mean fiel model and also calculate the charge form factor for ^12＇16O and ^28,32S. The numerical results are compared with the available data. Calculations indicate that the extended charge density distributions of ^12O and ^28S have observable effects on the cross sections of the electron or positron scattering as well as the charge form factors.     

低能电子在固体表面背散射系数的直接Monte Carlo方法模拟

应用单次碰撞的直接Monte Carlo方法计算能量范围从100 eV~10 keV的电子在固体Al,Si,Au表面的背散射系数,其中低能电子在固体中的弹性散射和非弹性散射截面分别应用Mott散射截面和Born近似下的广义振子强度计算模型得到.通过与压缩历史Monte Carlo方法的模拟计算结果及实验值的比较,结果表明,对于100 eV~10 keV范围的低能区电子,采用直接方法计算得到的电子背散射系数与实验值符合较好,直接方法比压缩历史方法更适合于能量在10 keV以下的电子输运计算.     

Elastic Scattering of CH4 by Electron Impact

In this work we present a theoretical study on electrons scattering by CH4 in the intermediate energy range. More specifically, we report integral and differential cross sections for electron scattering by CH4 in the （10 - 300） eV range by the Schwinger multichannel method using plane waves as a trial basis set （SMC-PW）. To include exchange effects we have used the Born-Ochkur model. Our aim is to study the numerical stability of the cross sections and our calculated results compared with experimental data and theoretical studies are encouraging.     

Elastic Scattering of CH4 by Electron Impact

In this work we present a theoretical study on electrons scattering by CH₄ in the intermediate energy range. More specifically, we report integral and differential cross sections for electron scattering by CH₄ in the (10～300) eV range by the Schwinger multichannel method using plane waves as a trial basis set (SMC-PW). To include exchange effects we have used the Born-Ochkur model. Our aim is to study the numerical stability of the cross sections and our calculated results compared with experimental data and theoretical studies are encouraging.     

A New Simulation of Track Structure of Low-Energy Electrons in Liquid Water:Considering the Condensed-Phase Effect on Electron Elastic Scattering

A new Monte Carlo simulation of the trade structure of low-energy electrons(10keV) in liquid water is presented.The feature of the simulation is taken into consideration of the condensed-phase effect of liquid water on electron elastic scattering with the use of the Champion model,while the dielectric response formalism incorporating the optical-data model developed by Emfietzoglou et al.is applied for calculating the electron inelastic scattering.The spatial distributions of energy deposition and inelastic scattering events of low-energy electrons with different primary energies in liquid water are calculated and compared with other theoretical evaluations.The present work shows that the condensed-phase effect of liquid water on electron elastic scattering may be of the influence on the fraction of absorbed energy and distribution of inelastic scattering events at lower primary energies,which also indicate potential effects on the DNA damage induced by low-energy electrons.     

Electron emission from diamondoids: a diffusion quantum Monte Carlo study

We present density-functional theory (DFT) and quantum Monte Carlo (QMC) calculations designed to resolve experimental and theoretical controversies over the optical properties of H-terminated C nanoparticles (diamondoids). The QMC results follow the trends of well-converged plane-wave DFT calculations for the size dependence of the optical gap, but they predict gaps that are 1-2 eV higher. They confirm that quantum confinement effects disappear in diamondoids larger than 1 nm, which have gaps below that of bulk diamond. Our QMC calculations predict a small exciton binding energy and a negative electron affinity (NEA) for diamondoids up to 1 nm, resulting from the delocalized nature of the lowest unoccupied molecular orbital. The NEA suggests a range of possible applications of diamondoids as low-voltage electron emitters.     

聚合物中多重光散射传导的Monte Carlo数值模拟

基于米氏散射(Mie scattering)理论,建立填充分散粒子群的聚合物对光散射传导的Monte Carlo数学模型.在此基础上,编写了一套仿真模拟程序.通过模拟单个光子在聚合物中的多重散射运动过程,把问题扩展到以激光束或线状光为入射源,得到在聚合物板块内的光传导情况,并且在计算机上图像化地重现整个物理过程,对输出光强的分布情况进行模拟统计分析.模拟结果表明,利用体散射机制,可以将点光源和线光源转换为平面光输出,输出光的状态可以通过对比计算结果实施有效控制.     

Research on Electron Emission from Dielectric Materials by a Monte Carlo Method

The charge accumulation in an insulating material under an electron beam bombardment exerts a significant influence to scanning electron microscopic imaging. This work investigates the charging formation process by a self-consistent Monte Carlo simulation of charge production and transportation based on a charge dynamics model. The charging effect in a semi-infinite SiO₂ bulk and SiO₂ trapezoidal lines on a SiO₂ or Si substrate has been studied. We used two methods to calculate the spatial distributions of electric potential and electric field for two different systems respectively: the image charge method was used to deal with a semi-infinite bulk, and, random walk method to solve the Poisson equation for a complex geometric structure. The dynamic charging behavior depending on irradiation time has been investigated for SiO₂. The simulated CD-SEM images of SiO₂ trapezoidal lines with charging effect included were compared well with experimental results, showing the contrast change of SEM image along with scanning frames due to charging.     

SiC电子输运特性的Monte Carlo数值模拟

利用系综MonteCarlo法研究了2H ,4H和6HSiC的电子输运特性.在模拟中考虑了对其输运过程有着重要影响的声学声子形变势散射、极化光学声子散射、谷间声子散射、电离杂质散射以及中性杂质散射.通过计算,获得了低场下这几种不同SiC多型电子迁移率同温度的关系,并以4H SiC为例,重点分析了中性杂质散射的影响.最后对高场下电子漂移速度的稳态和瞬态变化规律进行了研究.将模拟结果同已有的实验数据进行了比较,发现当阶跃电场强度为10×106V·cm-1时,4H Sic电子横向瞬态速度峰值接近33×107cm·s^-1,6H Sic接近30×107cm·s^-1.     

Monte Carlo simulation for Multi-Mode Elastic Peak Electron Spectroscopy of crystalline materials: Effects of surface structure and excitation

The Multi-Mode Elastic Peak Electron Spectroscopy (MM-EPES) analysis is confined to incoherent electron elastic scattering and the use of variable primary energy. This experimental method is very sensitive to the surface region of the sample. However, for quantitative interpretation, the MM-EPES method needs jointly a Monte Carlo (MC) computer simulation of electron trajectories in the solid. In the present work, we proposed a new approach to calculate the percentage η_e of elastic reflected electrons by the surface of a sample. This simulation takes into account the surface effects (i.e. surface plasmon), and the atoms arrangement in the substrate. The concept of the surface excitation parameter (SEP) is also presented. Computer simulations were performed on the three low index single crystals of Cu, Au, Si and Ag. The results confirm that the distribution of substrate atoms, according to the crystallographic structure, influences the intensity measured by EPES.A simple prediction formula was proposed to calculate η_e for elastic electrons entering in a Retarding Field Analyzer (RFA) spectrometer which is the apparatus giving experimentally numerical values of the percentage η_e.