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 framework for personalized adaptive user interest prediction based on topic model and forgetting mechanism

User interest is not static and changes dynamically. In the scenario of a search engine, this paper presents a personalized adaptive user interest prediction framework. It represents user interest as a topic distribution, captures every change of user interest in the history, and uses the changes to predict future individual user interest dynamically. More specifically, it first uses a personalized user interest representation model to infer user interest from queries in the user’s history data using a topic model; then it presents a personalized user interest prediction model to capture the dynamic changes of user interest and to predict future user interest by leveraging the query submission time in the history data. Compared with the Interest Degree Multi-Stage Quantization Model, experiment results on an AOL Search Query Log query log show that our framework is more stable and effective in user interest prediction.     

A Time-Domain Electromagnetic Transmitter with Great Power and Large Current by Using a Closed-Loop Phase Shifting Control Strategy

A time-domain electromagnetic transmitter (TDET) with great power and large current was designed by using a closed-loop phase shifting control strategy. A clamping voltage source circuit was applied in this system to improve the falling edge of emission current and shorten the turn-off time. The simulated results showed that this TDET exhibited the advantages including a large current, strong capability for rapid turn-off, stably output voltage, preferably dynamic performance, a widely adjustable range in transmitting voltage, accurate measurement precision.     

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.     

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.     

基于柔度曲率曲线拟合的薄板结构损伤识别研究

提出了基于柔度曲率多项式曲线拟合的损伤识别方法,并用该方法对薄板结构进行损伤研究。采用有限元软件ANSYS进行模态分析,得到损伤薄板的模态振型和固有频率,进而得到X方向和Y方向柔度曲率,然后分别在X方向和Y方向进行多项式曲线拟合。基于拟合值与原始值的差值构造新的损伤指标。数值算例的结果表明,基于柔度曲率多项式曲线拟合的方法相比仅采用柔度曲率矩阵的方法能够更好地进行平板损伤定位,同时相比柔度曲率差等需要结构损伤前后模态数据的损伤识别方法,该方法不需要用到结构损伤前的模态数据,可以运用于难以获得健康结构的模态振型数据的结构损伤识别中。     

鸡树条荚蒾对干旱胁迫的生理响应

采用盆栽试验,测定鸡树条荚!扦插苗和播种苗在干旱胁迫下的生理指标.结果表明:鸡树条荚!嫩枝扦插苗、播种苗和硬枝扦插苗叶片相对含水量(RWC)均呈下降趋势,说明干旱胁迫下鸡树条荚!叶片保水能力较弱;3种鸡树条荚!幼苗叶片可溶性蛋白、游离脯氨酸(Pro)、丙二醛(MDA)、相对电导率和叶绿素含量均表现为先增加后降低的变化规律,各生理指标在第12天和第15天达到峰值.     

基于PCR-RFLP的西洋参和人参指纹特征鉴定

目的建立西洋参与人参限制性片段长度多态性聚合酶链式反应(polymerase chain reaction restriction fragment length polymorphism,PCR-RFLP)的鉴定方法.方法采用改良的CTAB法从西洋参和人参中提取基因组DNA.应用生物信息学软件设计西洋参与人参核糖体DNA ITS序列的特异性引物,利用PCR技术对指定序列进行扩增,并通过RFLP方法酶切后进行指纹图谱的鉴别比较.结果提取西洋参与人参基因组DNA19 kb,并扩增核糖体122 bp大小的基因片段,经酶切后西洋参为80 bp和42 bp长度的两条片段,而人参仍然为122 bp长度的单一片段.结论西洋参与人参DNA具有特异性酶切位点,可作为西洋参与人参鉴定的有效方法,该方法简便快速,结果可靠.     

心绞痛患者经PCI治疗后不良心脏事件与血清总胆红素水平相关性分析

目的分析心绞痛患者经PCI治疗后不良心脏事件与血清总胆红素水平的相关性.方法选取行PCI的129例心绞痛患者,根据血清TBIL水平将患者分为对照组和观察组,比较两组患者实验室检查指标;比较分析两组患者冠状动脉造影检查结果;比较分析两组患者行PCI的相关指标;比较两组患者发生不良心血管事件(MACE)的情况,并进行Cox比例风险回归分析.结果观察组患者TG,TC水平高于对照组,差异具有统计学意义(P0.05),而其余指标(血糖、Scr、Hb、LDL-C、HDL-C、AST)两组患者比较差异无统计学意义(P0.05);观察组患者冠状动脉病变支数、靶病变部位、慢性闭塞病变及LVEF≤40%与对照组比较差异均无统计学意义(P0.05);观察组患者置入支架长度长于对照组,差异具有统计学意义(P0.05);两组患者经桡动脉途径行PCI者所占比例、置入支架数和置入支架直径与对照组比较,差异无统计学意义(P0.05);术后观察组患者随访期间MACE发生率为24.1%,高于对照组的8.4%,差异具有统计学意义(P0.05);Cox比例风险回归分析结果显示:血清TBIL水平是心绞痛患者PCI后MACE的保护因素,置入支架长度则是危险因素.结论心绞痛患者PCI后血清TBIL水平越低其预后越差;血清TBIL水平是心绞痛患者PCI后MACE的保护因素,置入支架长度则是危险因素.     

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.