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.     

Influence of strategy continuity on cooperation in spatial prisoner’s dilemma games with migrating players

The phenomenon of cooperation is prevalent in both nature and human society. In this paper a simulative model is developed to examine how the strategy continuity influences cooperation in the spatial prisoner’s games in which the players migrate through the success-driven migration mechanism. Numerical simulations illustrate that the strategy continuity promotes cooperation at a low rate of migration, while impeding cooperation when the migration rate is higher. The influence of strategy continuity is also dependent on the game types. Through a more dynamic analysis, the different effects of the strategy continuity at low and high rates of migration are explained by the formation, expansion, and extinction of the self-assembled clusters of “partial- cooperators” within the gaming population.     

Seasonal Variation and Land-Use/Land-Cover Type Impacts on the Correlation of Urban Heat Island Intensity and Difference Vegetation Index with Satellite Data in Xi’an,China

Green coverage has pronounced influences on urban heat island (UHI) effect, while the impacts of seasonal variation and Land-Use/Land-Cover (LULC) types on this effect has not been implemented. This paper investigated the spatio-seasonal characteristics of urban thermal environment and the vegetation-soil mixed area, and then explored the effects of vegetation status on UHI intensity from the perspectives of seasons and regions in Xi’an using four Landsat 8 images. UHI intensity index was implemented to extract UHI intensity based on thermal infrared imagery, and difference vegetation index (DVI) was used to represent vegetation-soil mixed area. Results indicated that DVI has impacts on UHI intensity, and their relations vary with season and region. In the whole Xi’an, if UHI intensity is smaller than -0.1, DVI increases with the increase of UHI intensity; whereas for UHI intensity is greater than -0.1, DVI decreases with increases of the UHI intensity from early spring to autumn. The highest correlation level was discovered in the autumn map (R²=0.713). Results of correlation analysis further displayed that DVI positively correlated with UHI intensity at impervious surface, and that the main urban area possessed the best correlation with R²=0.564 5.     

联合检测血清胱抑素C、β2微球蛋白和转铁蛋白对原发性肾小球肾炎的早期诊断价值

目的探讨联合检测血清胱抑素C(CYSC)、β_2微球蛋白(β_2-MG)和尿转铁蛋白(TRF)对原发性肾小球肾炎患者的早期诊断价值.方法选择原发性肾小球肾炎患者50例为观察组,选择体检中心健康体检者50例作对照组,比较两组3种检验指标的结果并进行分析.结果观察组血清中CYS C,β_2-MG和TRF水平高于健康对照组,差异具有统计学意义(P0.05).观察组根据临床病理分型的Ⅱ,Ⅲ,Ⅳ型患者血清中CYSC,β_2-MG,TRF水平浓度均高于Ⅰ型,血清水平呈递增性升高.结论通过联合检测CYSC,β_2-MG,TRF有助于原发性肾小球肾炎的早期诊断,并且能够准确、灵敏地反映肾小球功能损伤程度.     

张力带与髌骨爪置入治疗单纯横行和粉碎性髌骨骨折疗效分析

目的比较张力带和髌骨爪置入治疗单纯横行骨折和粉碎性骨折患者疗效,为临床两种手术方法的选择提供依据.方法对接受治疗的38例髌骨骨折患者进行回顾性分析,其中20例患者采用张力带疗法,18例患者采用髌骨爪疗法,比较不同疗法患者手术时间、术中出血量、并发症发生率、骨折愈合时间、膝关节功能恢复情况.结果张力带固定组患者术中出血量(305.2±36.5)m L,显著高于髌骨爪固定组患者(283.4±24.8)m L(P0.05),张力带固定组粉碎性骨折患者平均手术时间(54.1±9.1)min,显著长于髌骨爪固定组粉碎性骨折患者(52.9±2.8)min(P0.05).两组患者骨折愈合时间无显著性差异(11.9±1.9,12.4±1.8)周,膝关节功能评价平均分髌骨爪固定组患者(78.7±9.3)分,显著优于张力带固定组患者(84.7±9.2)分(P0.05).结论对于一般髌骨横行骨折患者,可采用张力带固定方式,而对于年龄较大、身体素质较差、粉碎性骨折患者,推荐采用髌骨爪固定方式,以减少术后并发症发生,促进膝关节功能恢复.     

一种新型冷轧辊用钢的组织演变

本文以一种新型冷轧辊用钢为研究对象,借助金相显微镜和扫描电子显微镜分析了试验钢在正火、球化退火、淬火、回火过程中的组织演变,研究了碳化物的成分变化和溶解析出行为。结果显示,试验钢正火后得到马氏体+部分颗粒状和少量块状碳化物的显微组织;球化退火后的显微组织为铁素体基体上分布有大量颗粒状碳化物+少量块状碳化物,球化退火组织评定为为2~3级;淬火后的组织为马氏体+部分颗粒状和少量块状碳化物;三次回火后的组织为回火马氏体+部分颗粒状和少量块状碳化物。试验钢中的块状碳化物在整个热处理过程中始终存在,1100℃以下奥氏体化时只发生边缘部分的少量溶解。颗粒状碳化物主要为M23C6型,在热处理过程中存在明显的溶解和析出行为,1100℃以下奥氏体化时部分溶解。     

POM@Fe-MOF衍生物的结构及其电化学性能

采用溶剂热法将Keggin型H_3PW_(12)O_(40)作为次级结构单元引入Fe-MOF结构中,合成出具有花状结构的POM@Fe-MOF材料,以其为模板在不同工艺条件下制备出衍生物WO_2@FePO_4和WO_3@WC@C。借助SEM、XRD等分析了衍生物的表面形貌及物相结构,并将WO_2@FePO_4和WO_3@WC@C分别作为超级电容器的正、负极材料,利用三电极体系在浓度为6mol/L的KOH电解质溶液中对其电化学性能进行表征,在0.5A/g的充电电流密度下分别得到了68.6F/g和70F/g的最高比电容。     

分级多孔纳米炭纤维的结构及电容性能

以酚醛树脂为碳源、PVP为纺丝助剂、纳米MgO颗粒为模板剂,通过静电纺丝法制得酚醛树脂基纳米炭纤维,经过炭化、KOH活化、酸洗后得到分级多孔纳米炭纤维,利用SEM、XRD、XPS、拉曼光谱仪及氮气吸脱附实验,对所制多孔纳米炭纤维的结构和形貌进行表征,并将其作为模拟电容器的电极,利用循环伏安、恒电流充放电及交流阻抗方法测试了材料的电化学性能。结果表明,KOH活化引入了数量可观的微孔,所得纳米炭纤维表现出明显的"微孔-中孔-大孔"分级孔分布的特点,其比表面积达到1058.4m~2/g,总孔容为1.64cm~3/g。电化学测试结果表明,所制分级多孔纳米炭纤维在6mol/L KOH电解液中显示出优异的电容性能,在0.2A/g的电流密度下,其放电比容量达到198F/g,在20A/g电流密度下,电容保持率达到65%。     

Nb微合金化对低合金高强钢耐海水腐蚀性能的影响

利用室内模拟海水加速腐蚀试验及电化学分析,研究了Nb微合金化对Cu-Cr-Ni-P系低合金高强钢耐海水腐蚀性能的影响。结果表明,含Nb钢与不含Nb钢组织均由铁素体和珠光体构成,但Nb微合金化后钢中珠光体组织减少且晶粒细化明显,其在模拟海水介质中的平均腐蚀速率与不含Nb钢相比,降低了约12%,阳极腐蚀电流密度也有所降低。由此可见,在Cu-Cr-Ni-P系低合金高强钢中加入Nb元素有助于提高其耐海水腐蚀性能。