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.     

A Generic TC-Based Method to Find the Weakness in Different Phases of Masking Schemes

Masking is one of the most commonly used Side-Channel Attack(SCA) countermeasures and is built on a security framework, such as the ISW framework, and ensures theoretical security through secret sharing.Unfortunately, the theoretical security cannot guarantee practical security, because several possible weaknesses may exist in the actual implementation. These weaknesses likely come from the masking schemes or are introduced by the implementation methods. Finding the possible weakness of the masking scheme is an interesting and important issue for real applications. In this paper, the possible weaknesses for masking schemes in FieldProgrammable Gate Array(FPGA) design are discussed. It was found that the combinational circuit is the key to the security of masking schemes. The Toggle Count(TC) method and its extension are utilized to evaluate the security of masking schemes in the design phase and the implementation phase separately. Comparing different logic-level simulators for the Xilinx FPGA platform, the behavioral and post-translate simulations are considered as the analysis method in the design phase, while the post-map and the post-route simulations are used to find the weakness during the implementation phase. Moreover, a Standard Delay Format(SDF) based improvement scheme is proposed to significantly increase the effectiveness of the TC model.     

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.     

1996-2016年五味子在国产保健食品中的应用与分析

目的 分析五味子21 a间在国产保健食品中作为原料的应用情况,为进一步研发五味子保健食品提供参考.方法 利用回顾性调查方法,抽取国家食品药品监督管理总局(CFDA)网站中1996—2016年已注册的保健食品信息,建立五味子保健食品专题数据库,分析五味子相关保健食品的功能分布、与之配伍的中药种类、频次、功效成分(或标志性成分)、地区分布及年代分布等.结果 1996—2016年期间含五味子的国产保健食品共有351个,涉及功能20种,配方原料数量最多6种,与五味子配伍使用的原料前5位为枸杞子、酸枣仁、人参、葛根、黄芪,功效成分涉及118种,申请地中前5位依次为北京市、广东省、陕西省、吉林省及黑龙江省.结论 含五味子保健食品的开发总量不足,档次较低,接近食品形态的剂型较少,没有形成基于五味子医药文化及民俗文化的品牌优势.     

3D建模与快速成型技术在个体化膝关节假体术中的应用

目的探讨3D建模与快速成型技术在个体化膝关节肿瘤假体手术治疗中的新方法,评价3D建模与快速成型技术的应用价值.方法选取3例膝关节骨肿瘤患者,术前均对膝关节周围病损区行CT扫描,获得原始数据后,导入Mimics19.0软件,在软件中模拟手术规划,并且设计与切除后剩余的骨组织相契合的钛合金"植物.随访期间应用国际骨与软组织肿瘤保肢(Musculoskeletal Tumor Society,MSTS)功能评分系统对患者的术后功能情况进行评价.结果 3例患者均获随访,随访时间5~26个月,平均16个月.末次随访MSTS得分为18~29分,平均24.3分,其中优2例,良1例,优良率达100%.结论通过3D建模与快速成型技术在膝关节肿瘤手术中的应用,可精确指导截骨界限,设计个体化膝关节假体,韧带附丽点接近生理结构,为膝关节骨肿瘤治疗提供新方法.     

自体腓骨长肌腱和腘绳肌腱在关节镜下重建膝关节前交叉韧带临床研究

目的探讨关节镜下自体腓骨长肌腱和腘绳肌腱重建膝关节前交叉韧带的临床疗效.方法选取47例前交叉韧带损伤患者,应用随机数字表法将患者分为两组,分别行关节镜下腓骨长肌腱(A组)与腘绳肌腱(B组)重建膝关节交叉韧带,比较两组患者术后一般情况;分析两组患者术前、术后3个月、术后6个月的膝关节功能、稳定性,分析腓骨长肌腱组足弓的静力学变化.结果术后随访时,A组大腿周长减小与B组比较差异无统计学意义(P0.05);两组患者术后Tegner评分、Lysholm评分、IKDC评分结果差异无统计学意义(P0.05);A,B两组患者术后胫骨前移比较差异无统计学意义(P0.05);A组患者足弓情况与术前比较,术后6个月、术后1 a足弓的静力学指标无明显变化(P0.05).结论自体腓骨长肌腱重建膝关节前交叉韧带断裂与自体腘绳肌腱取得的临床效果相当.     

京津冀协同视角下区域大气污染现状及综合防治研究

京津冀区域大气污染已成为全国空气污染的重灾区,目前京津冀区域大气污染合作治理共识已基本形成。本文在对京津冀大气污染区域合作治理现状进行系统研究的基础上,以SO2、NO2、PM10、PM2.5四种污染物为指标,对京津冀目前大气质量状况以及15年来的大气质量变化趋势做了全面梳理分析。对存在的问题进行了探讨,并针对当前京津冀区域大气污染防治措施提出了建议,以期为破解区域大气污染治理困境提供借鉴参考。     

Shear-thickening behavior of Fe-ZSM5 zeolite slurry and its removal with alumina/boehmites

A cryogenic scanning electron microscopy (cryo-SEM) technique was used to explore the shear-thickening behavior of Fe-ZSM5 zeolite pastes and to discover its underlying mechanism. Bare Fe-ZSM5 zeolite samples were found to contain agglomerations, which may break the flow of the pastes and cause shear-thickening behaviors. However, the shear-thickening behaviors can be eliminated by the addition of halloysite and various boehmites because of improved particle packing. Furthermore, compared with pure Fe-ZSM5 zeolite samples and its composite samples with halloysite, the samples with boehmite (Pural SB or Disperal) additions exhibited network structures in their cryo-SEM images; these structures could facilitate the storage and release of flow water, smooth paste flow, and avoid shear-thickening. By contrast, another boehmite (Versal 250) formed agglomerations rather than network structures after being added to the Fe-ZSM5 zeolite paste and resulted in shear-thickening behavior. Consequently, the results suggest that these network structures play key roles in eliminating the shear-thickening behavior.     

Solid-phase synthesis of Cu<Subscript>2</Subscript>MoS<Subscript>4</Subscript> nanoparticles for degradation of methyl blue under a halogen-tungsten lamp

The Cu₂MoS₄ nanoparticles were prepared using a relatively simple and convenient solid-phase process, which was applied for the first time. The crystalline structure, morphology, and optical properties of Cu₂MoS₄ nanoparticles were characterized using X-ray diffraction, X-ray photoelectron spectroscopy, field emission scanning electron microscopy, and UV-vis spectrophotometry. Cu₂MoS₄ nanoparticles having a band gap of 1.66 eV exhibits good photocatalytic activity in the degradation of methylene blue, which indicates that this simple process may be critical to facilitate the cheap production of photocatalysts.