神经网络全局势函数在多相催化中的应用

当今的多相催化研究需要新的技术和方法从原子尺度上表征活性中心结构和反应中间体。本文作者课题组近期开发了理论模拟新技术来探索催化剂活性位点结构，即基于神经网络势函数的大规模原子模拟（LASP）软件中实现的全局神经网络势函数计算方法。本文介绍了该方法可以显著降低催化体系的计算代价，而维持与密度泛函理论同一级别的计算精度，从而解决多相催化中的许多复杂问题。本文对神经网络势函数方法的实现细节和目前已实现的应用场景进行了详细介绍。神经网络势函数可以用来预测材料晶体结构，理解高压氢化条件下TiO₂表面的结构演化和确定三元氧化物ZnCrO晶相中合成气制甲醇活性位点。最后文章分析了神经网络势函数的局限性和今后可能的三个研究方向，即材料性质预测、多元素体系神经网络势函数构造和化学反应拟合。     

热冲压工艺参数对22MnB5马氏体钢汽车B柱性能影响的有限元模拟

通过有限元仿真软件Autoform分析了热冲压过程中工艺参数的变化对22MnB5马氏体钢B柱起皱、回弹、减薄、马氏体量以及强度的影响。结果表明:22MnB5马氏体钢B柱热冲压最优化工艺参数为加热温度930 ℃,冷却速率80 ℃/s。该工艺参数下,热冲压过程各处均完成马氏体转变,硬度分布均匀,材料减薄率较低,热冲压成形效果好,尺寸精度高,冲压件强度均大于1400 MPa。     

某铅锌矿的三维地质模型及储量估算

针对矿山现有的地质信息数据等，建立了以利用Surpac软件的三维地表模型、矿体模型及地质数据库，对矿山资源储量进行计算。基于地质统计学的理论，建立某铅锌矿地表模型、钻孔数据库、矿体模型、块体模型，对矿体内样品进行组合分析统计，采用幂次距离反比法对块体品位进行估值，最后根据国内对地质矿产资源的分类方法，按照不同边界品位、工业品位等分类依据，得出资源储量核实报告，为铅锌矿的后续生产，提供了可靠保证。结果表明：通过构建该矿地质数据库，建立的三维模型，可对地质工程、采矿工程、储量估算、矿石品位动态管理等提供技术支持。     

在线SDN控制器性能监控器设计与研究

随着网络规模和网络数据流量的变大,软件定义网络控制器性能问题可能成为网络瓶颈,为了在动态负载情况下仍然可以获取控制器准确的性能状态,设计了一个在线的性能监控器框架,并定义了控制器时延性能衡量指标Lpdex.在一款广泛使用的FloodLight控制器中实现了性能监控器的简单原型,经过实验评估,验证了控制器性能监控器的可行性和Lpdex可在线准确地反映控制器在不同负载情况下时延性能的变化.     

基于MCGS的洗油空穴反应实验装置计算机控制系统设计

介绍了基于MCGS的洗油空穴反应实验装置远程计算机自动控制系统的硬件、软件设计及其实现过程,为后续进一步的研究工作提供理论和实践基础。     

基于UG软件的手机模具设计及数控加工仿真

数控设备在加工制造精密复杂零件方面得到了广泛应用.数控加工要达到预期的加工效果,需要编制高质量的数控程序.重点介绍了UG软件中模具设计及数控加工模块,通过手机实例分析了设计、加工步骤.利用UG软件进行数控加工,可以方便建立实体模型,直观观察刀具的运动过程,提高程序的正确性和安全性,提高工作效率.     

A Reference Architecture to support the development of mobile applications based on self-adaptive services

Nowadays, most human daily tasks can be performed by means of Mobile Applications (MobApps). Devices running such applications have some limitations (e.g., processing and storage) compared to personal computers. Therefore, integration of MobApps into service-based systems has been a feasible alternative to overcome these limitations. Moreover, these applications must be prepared to deal with the changes at runtime (e.g., user’s new needs or modifications in their execution environment). In parallel, Reference Architectures (RA) have been used as an important way to support the development, standardization, and evolution of software systems. Although relevant, RA for the domain of MobApps based on services that require adaptation at runtime is still an issue to be explored in depth. This paper presents a RA for Self-MobApps (named RA4Self-MobApps), which aims to support the development of such applications. To show the applicability of our RA, a case study was conducted. As result, we observe our RA has good perspective to efficiently contribute to the Self-MobApps domain.     

基于卷积神经网络的构件分类策略的研究

为了提高软件复用过程中构件检索的效率，分析了软件构件分类技术的优缺点以及构件特征，从构件刻面信息的角度，采用卷积神经网络技术，提出一种基于卷积神经网络的构件分类策略；利用卷积神经网络对构件刻面特征进行提取，减少人为因素，提高刻面信息提取精确性，并训练出基于卷积神经网络的构件分类模型，通过具体的实验，来论证该模型的准确性，以达到提高构件检索效率的目的。     

Learning about distillation curves as a way to define a process stream from crude petroleum

The advanced courses of Separation Processes use to include some reference to the different types of distillation curves, such as the True Boiling Point (TBP) curves, in order to characterize crude petroleum or its derivatives. The concept of pseudocomponents as well as the way to extract them from a TBP curve can be easily understood by reading classical bibliographic references. Chemical process simulation software packages serve as a useful tool that, once the desired number of pseudocomponents to be considered has been specified, automatically generate them. Nevertheless, the lack of correspondence between cuts of a TBP curve and zones with slight temperature changes makes difficult to identify pseudocomponents and to decide on the adequate number of pseudocomponents to be defined. In this work, a very simple exercise is proposed to introduce the idea of TBP distillation curves in the classroom and to explore their characteristics through the analysis of the influence of the number of extracted pseudocomponents.     

基于CDEGS软件设计的下水库接地网改造

本文利用CDEGS软件,对天荒坪抽水蓄能电站水库区域的土壤及岩石等地质参数进行分析和拟合,并构建土壤的分层模型;然后通过对地网的网格大小、导体的疏密程度、接地网的面积、水平接地体的长度等因素进行经济比较和优化分析,设计出了符合安全标准的水下接地网。结果表明:水下接地网的设计满足设计要求,达到了改善接地网参数性能的目标。