摘要：Taking Ta–W alloy system as an example, the concentration formulae of alloy genes of DO3-type alloys in BCC structures were derived on the basis of the theory of alloy genes and the number of coordination atoms. The concentrations of alloy genes of DO3-TaW3 and DO3-Ta3W ordered alloys were calculated as functions of composition xW and ordering degree （s）. When s=smax, the concentrations of alloy genes of stoichiometric DO3-TaW3 compound are equal to those of alloys, that is, x8^Ta=0.25（at）,x4^W=0.5（at）,x8^W=0.25（at）The concentrations of alloy genes of stoichiometric DO3-Ta3W compound are also equal to those of alloys, that is,x0^Ta=0.25（at）,x4^Ta=0.5（at）,x0^W=0.25（at）. As ordering degree decreases, alloy genes of DO3-TaW3 and DO3-Ta3W ordered alloys will split. And the degree of splitting of alloy genes increases with the ordering degree decreasing. The atomic states and properties of DO3-TaW3 and DO3-Ta3W ordered alloys were calculated as a function of composition xW. The reason was pointed out that preparation of DO3-TaW3 and DO3-Ta3W intermetallic compounds is difficult due to small differences in their cohesive energies. It will provide theoretical guidance for the scientific designation to new candidate for ultra- high-temperature materials in areo-engine applications.

摘要：应用合金系统科学(SSA)框架,确定FCC Ti-Al合金系结构参数和性质及相应特征晶体的基本信息;在FCC Ti-Al系中,通过SSA框架计算得到Ti和Al特征原子序列的电子结构和性质;确定新的Gibbs能函数与结构参数和性质能紧密关联。研究结果表明,应用特征原子排列设计可设计无序和有序合金,它们的电子结构、晶格常数、物理性质和热力学性质随成分的变化都可由此求得。

摘要：据纯金属单原子理论确定面心立方结构(fcc)贵金属Ir的原子状态为[Xe](5dn)4.50(5dc)2.50(6sc)1.63-(6sf)0.37,并对金属Ir的密排六方结构(hcp)和体心立方结构(bcc)初态特征晶体及初态液体的原子状态进行研究;在此基础上,解释Ir的原子状态与晶体结构的关系,计算fcc-Ir的势能曲线,体弹性模量、线热膨胀系数、晶格常数和比热容等随温度变化的曲线。研究结果表明:计算值与实验值基本吻合,计算值可用于电催化剂的优化设计。

摘要：以系统科学哲学为指导,以Au-Cu合金系为实例,介绍了以下内容:合金基因、合金基因全息信息传输的Gibbs能函数以及AuCuI(Cu4Au8AA)化合物无序化的平衡和亚平衡传输方式,Au3Cu、AuCu和AuCu3亚格子系统的平衡全息网络相图(HNP);描述组元—成分—结构—性能—温度之间的关系;预测设计合金信息的蓝图:Au-Cu合金系的平衡和亚平衡HNP图。实现"网络化、信息化和智能化设计与研发先进合金"的路径规程是"基本组元合金系统—合金基因序列—亚格子合金系统的平衡HNP图—合金系的平衡和亚平衡HNP图—合金基因工程—合金系统全息知识与数据库"。实施此路径规程的基地称之为"全息合金定位设计与研发系统(HAPDS)"。

摘要：利用密度泛函理论中的电荷自洽离散变分Xα 方法 (Self consistent chargediscretevariationalmethod ,简称DVM或DV Xα 方法 )计算出单质Fe的电子结构为 (3dc) 4.0 77(3dm) 2 .190 (4sc+4sf) 0 .790 (4p) 0 .94 3 ,结合能为5 2 9.30 7kJ/mol,磁矩为 18.82× 10 2 4 A·m2 。将该法计算结果与纯金属单原子理论 (即OA理论 )所得结果进行了比较 ,并讨论了两种方法的优劣。

摘要：依据金属单原子理论确定了密排六方结构α Sc和α Y的电子结构分别为 [Ar]( 3dc) 1.3315( 4sc) 0 .90 50 ( 4sf) 0 .7635和 [Kr]( 4dc) 1.2 930 ( 5sc) 0 .94 70( 5sf) 0 .760 0 ,并计算了它们的势能曲线、晶格常数、结合能、弹性和热膨胀系数随温度的变化。对其体心立方结构初态特征晶体和初态液体的电子结构进行了研究。提供了不同晶体结构Sc和Y的结构参数和性能参数 ,为金属Sc和Y及其相关材料的理论设计提供了完整的数据资料。

摘要：针对基于大气散射模型的图像去雾算法存在的图像去雾后颜色偏暗、对比度过度增强的问题,提出一种基于灰色关联度引导滤波的图像去雾算法。首先,假设有雾图像的像素可以分为正常像素和被雾霾颗粒破坏的像素,应用灰色关联理论对雾霾图像的像素值进行判断;然后,对雾霾颗粒破坏的像素进行引导滤波,通过取对数的方法缩小原始图像和滤波以后图像像素值之间的差异,在对数域中计算雾气面纱值;最后,依据大气散射退化模型反演复原清晰的图像。实验结果表明,该算法不仅可以有效改善雾霾图像的清晰度,而且能够解决去雾后存在的亮度偏暗,色彩失真等问题。

摘要：目的研究基于心流体验的游戏化教学方式在高职化学复习课中的应用。方法采用对照法。选取本校药学专业2个平行班级为研究对象。其中实验班应用游戏化教学方式,对照班应用传统多媒体授课方式。针对前后成绩和心流体验调查问卷进行统计分析。结果实验班期末平均成绩优于对照班,差异具有统计学意义(p<0.01)。问卷调查显示实验班整体心流水平(M=4.08)高于对照班(M=3.68)。结论游戏化教学方式可以通过诱发心流体验增加学生内在驱动力,从而提高教学效果。推荐在高职化学复习课上进行广泛应用。

摘要：根据2018CNCAP草案及2012CNCAP,进行某A级车侧面碰撞性能的对比分析,通过侧面结构的侵入量、侵入速度的对比分析,明确该车型2018CNCAP侧碰性能水平。并结合CAE分析及试验结果,进行相关性分析,在相关性良好的整车模型基础上,开展基于侧面结构及材料的优化设计,确保乘员生存空间及乘员舱侵入速度满足项目要求。

摘要：Taking Au?Cu system as an example, three discoveries and two methods were presented. First, a new way for boosting sustainable progress of systematic metal materials science (SMMS) and alloy gene engineering (AGE) is to establish holographic alloy positioning design (HAPD) system, of which the base consists of measurement and calculation center, SMMS center, AGE center, HAPD information center and HAPD cybernation center; Second, the resonance activating-sychro alternating mechanism of atom movement may be divided into the located and oriented diffuse modes; Third, the equilibrium and subequilibrium holographic network phase diagrams are blueprints and operable platform for researchers to discover, design, manufacture and deploy advanced alloys, which are obtained respectively by the equilibrium lever numerical method and cross point numerical method of isothermal Gibbs energy curves. As clicking each network point, the holographic information of three structure levels for the designed alloy may be readily obtained: the phase constitution and fraction, phase arranging structure and properties of organization; the composition, alloy gene arranging structure and properties of each phase and the electronic structures and properties of alloy genes. It will create a new era for network designing advanced alloys.