Crystal-KMC: Parallel Software for Lattice Dynamics Monte Carlo Simulation of Metal Materials

Kinetic Monte Carlo(KMC) is a widely used method for studying the evolution of materials at the microcosmic level. At present, while there are many simulation software programs based on this algorithm, most focus on the verification of a certain phenomenon and have no analog-scale requirement, so many are serial in nature. The dynamic Monte Carlo algorithm is implemented using a parallel framework called SPPARKS, but it does not support the Embedded Atom Method(EAM) potential, which is commonly used in the dynamic simulation of metal materials. Metal material — the preferred material for most containers and components — plays an important role in many fields, including construction engineering and transportation. In this paper, we propose and describe the development of a parallel software program called Crystal-KMC, which is specifically used to simulate the lattice dynamics of metallic materials. This software uses MPI to achieve a parallel multiprocessing mode, which avoid the limitations of serial software in the analog scale. Finally, we describe the use of the parallel-KMC simulation software Crystal-KMC in simulating the diffusion of vacancies in iron, and analyze the experimental results. In addition, we tested the performance of Crystal-KMC in "meta-Era" supercomputing clusters, and the results show the Crystal-KMC parallel software to have good parallel speedup and scalability.     

Global Existence and Optimal Decay Rate of the Compressible Magnetohydrodynamic Equation with Potential Force

In this paper, we consider the three dimensional compressible viscous magnetohydrodynamic equations(MHD) with the external potential force. We first derive the corresponding non-constant stationary solutions. Next, we show global wellposedness of the initial value problem for the three dimensional compressible viscous magnetohydrodynamic equations, provided that the initial data is close to the stationary solution. Finally, based on the elaborate energy estimates for the nonlinear system and L~p-L~q decay estimates of the linearized equation, we show the optimal convergence rates of the solution in L~q-norm with 2≤q≤6 and its first derivative in L~2-norm when the initial perturbation is bounded in L~p-norm with 1≤p6/5.     

Generation of Linear and Parabolic Concentration Gradients by Using a Christmas Tree-Shaped Microfluidic Network

This paper describes a simple method of generating concentration gradients with linear and parabolic profiles by using a Christmas tree-shaped microfluidic network.The microfluidic gradient generator consists of two parts:a Christmas tree-shaped network for gradient generation and a broad microchannel for detection.A two-dimensional model was built to analyze the flow field and the mass transfer in the microfluidic network.The simulating results show that a series of linear and parabolic gradient profiles were generated via adjusting relative flow rate ratios of the two source solutions(R_L~2≥0.995 and _PR~2≥0.999),which could match well with the experimental results(R_L~2≥0.987 and _PR~2≥0.996).The proposed method is promising for the generation of linear and parabolic concentration gradient profiles,with the potential in chemical and biological applications such as combinatorial chemistry synthesis,stem cell differentiation or cytotoxicity assays.     

Critical Chords of Convex Bodies of Constant Width

In this paper, we show that when Minkowski measure of asymmetry of convex body K of constant width is bigger than α (n-1), K has at least n+1 critical chords, where \(\alpha (n) = \frac{{n + \sqrt {2n(n + 1)} }}{{n + 2}}\).     

Wiener Indices in Random Cyclooctane Chains

The Wiener index of a connected graph (molecule graph) G is the sum of the distances between all pairs of vertices of G. In this paper, simple exact formula are established for the expected value of Wiener index in random cyclooctane chain. Moreover, we obtain the average value of the Wiener indices with respect to the set of all cyclooctane chains with n octagons.     

Effect of melting temperature on microstructural evolutions,behavior and corrosion morphology of Hadfield austenitic manganese steel in the casting process

In this study, the effect of melting temperature on the microstructural evolutions, behavior, and corrosion morphology of Hadfield steel in the casting process is investigated. The mold was prepared by the sodium silicate/CO₂ method, using a blind riser, and then the desired molten steel was obtained using a coreless induction furnace. The casting was performed at melting temperatures of 1350, 1400, 1450, and 1500℃, and the cast blocks were immediately quenched in water. Optical microscopy was used to analyze the microstructure, and scanning electron microscopy (SEM) and X-ray diffractrometry (XRD) were used to analyze the corrosion morphology and phase formation in the microstructure, respectively. The corrosion behavior of the samples was analyzed using a potentiodynamic polarization test and electrochemical impedance spectroscopy (EIS) in 3.5wt% NaCl. The optical microscopy observations and XRD patterns show that the increase in melting temperature led to a decrease of carbides and an increase in the austenite grain size in the Hadfield steel microstructure. The corrosion tests results show that with increasing melting temperature in the casting process, Hadfield steel shows a higher corrosion resistance. The SEM images of the corrosion morphologies show that the reduction of melting temperature in the Hadfield steel casting process induced micro-galvanic corrosion conditions.     

EMRC和EMRL治疗上消化道早期癌及癌前病变

目的:探讨EMRC和EMRL两种EMR技术在上消化道早期癌及癌前病变中的临床应用价值。方法:18例病人(其中食管病变5例、胃内病变13例。超声内镜及病理检查早期胃癌1例、食管平滑肌瘤1例、增生性息肉7例、扁平腺瘤6例、不典型增生3例)。7例用EMRC、11例用EMRL技术进行了内镜下粘膜切除术。结果EMRC技术对食管平滑肌瘤、增生性息肉、扁平腺瘤、不典型增生的完全切除率分别为100%、100%、85.71%、85.71%,平均92.86%。而EMRL对胃早期胃癌,增生性息肉,扁平腺瘤,不典型增生的完全切除率分别为100%、100%、90.91%、90.91%,平均95.46%。结论EMRC和EMRL对上消化道早期癌、癌前期病变、黏膜下肿瘤及宽基息肉等均有较高的完全切除率。作为一项微创内镜技术,可替代部分胃肠道早期癌肿的外科手术治疗,降低治疗费用,且创伤性小,并发症少,疗效可靠,具有广阔的临床应用前景。     

特大型高铁车站候车厅建筑声环境分析

我国新建的高铁车站候车厅体积巨大,对该类超大体积空间的声场特性缺乏深入研究.文中以一候车厅为例,采用现场测量和声场计算机仿真技术,对该候车厅的室内声场参数进行深入分析和讨论.结果表明:该空间混响时间较长,呈现中频较长(达9.21 s)、低频和高频比中频短的频率特性;在该空间中,语言传输指数与早期衰变时间(500和1 000 Hz倍频带)高度相关,而与混响时间(500和1 000 Hz倍频带)的相关性不大;增加建筑界面的吸声量,声场参数得到显著改善;A声级与声源和接收点距离的对数值高度相关,混响时间(500和1 1000Hz倍频带)与声源和接收点的距离无关.在一定距离范围内,声场参数早期衰变时间(500和1 000Hz倍频带)、清晰度(500和1 000Hz倍频带)、语言传输指数与声源和接收点的距离高度相关.候车空间的分布式扬声器系统与旅客的距离需仔细设计,以满足语言清晰度的要求.     

用于多指数拟合的一种混沌免疫粒子群优化

为了更好地逼近真实物理场景,对传统的多指数模型作了一些改进,将权因子设置为噪声方差平方的倒数,提出一种基于循环矩阵(CM)的算法用于估计衰减项数.为了求解上述改进模型,提出一种混沌免疫粒子群优化(CIPSO)算法.该算法将人工免疫系统中的克隆、交叉、变异和接收器修正算法嵌入粒子群算法中,并采用混沌算子实现变异,然后将惯性因子改为自适应变化.实验表明:提出的权因子设置更符合实际;用于估计项数的CM算法在估计精度与运行时间上均优于传统的ILS算法;CIPSO算法在收敛精度与运行时间上也优于传统的优化算法,如可信域法、LM法、高斯-牛顿法、差分进化算法和粒子群算法等.     

一个机械手臂系统的键图模型及其仿真

键图模型是描述动态系统的一种新的图示模型。该文采用这个方法建立了一个简单机械手臂系统的模型。方法简单,仿真结果表明该方法在非线性系统建模中应用的可行性及可推广性。