密排六方金属中多空位的改进分析型嵌入原子法计算

应用改进分析型嵌入原子法(Modified Analytical Embedded-Atom Method,MAEAM),计算了密排六方(Hexagonal Closed-Packed,HCP)金属(c/a<1.633)单空位形成能以及双空位与三空位的形成能与结合能.空位形成能的最小值或结合能的最大值均表明,双空位稳定结构是第一近邻[1n]、第二近邻[2n]或第三近邻[3n];三空位稳定结构是三空位组成两个第一近邻和一个第二近邻[112]、一个第一近邻和一个第二近邻以及一个第三近邻[123]或三个第二近邻[222].这说明在密排六方金属(c/a<1.633)中存在空位聚集趋势.     

非对称噪声的Langevin谐振子模型的随机共振

本文研究了周期调制噪声和非对称双态噪声联合驱动下具有频率涨落的谐振子的随机共振现象,本文的主要工作是通过Shapiro-Logniov公式求解了谐振子系统的稳态响应一阶矩的解析表达式,并且推到了谐振子系统的稳态响应一阶矩的稳定性条件。最后发现了系统关于不同参数的广义随机共振现象,出现了双峰共振现象等丰富的动力学行为。     

Structure,scale and emergence

In this paper I consider the structures that chemists and physicists attribute at the molecular scale to substances and materials of various kinds, and how they relate to structures and processes at other scales. I argue that the structure of a substance is the set of properties and relations which are preserved across all the conditions in which it can be said to exist. In short, structure is abstraction. On the basis of this view, and using concrete examples, I argue that structures, and therefore the chemical substances and other materials to which they are essential, are emergent. Firstly, structures themselves are scale-dependent because they can only exist within certain physical conditions, and a single substance may have different structures at different scales (of length, time and energy). Secondly, the distinctness of both substances and structures is a scale-dependent relationship: above a certain point, two distinct possibilities may become one. Thirdly, the necessary conditions for composition, for both substances and molecular species, are scale-dependent. To know whether a group of nuclei and electrons form a molecule it is not enough to consider energy alone: one also has to know about their environment and the lifetime over which the group robustly hangs together.     

一类含立方项非线性振动微分方程的解析解

依据弹性力作用下系统机械能守恒的原理,求解出一类含有线性项和立方项的非线性微分方程的雅克比椭圆函数型的精确解析解.通过对常见算例的讨论,以及与系统数值解的比较,说明了解析解是有效的.     

基于恒等变换的单摆振动解析逼近

应用修正的谐波平衡法构造了单摆大幅振动的解析逼近周期和周期解.通过引入三角变换或反三角变换将单摆振动方程恒等变形为关于新变量的Duffing方程或其他易于处理的非线性振动方程,利用牛顿谐波平衡法构造了单摆振动的解析逼近解.给出的解析逼近周期及周期解简单易用,几乎在振幅(初始摆角)的全部取值范围内,都有很高的逼近精度.     

由General Chemistry的译名说起

本文提出我国化学教育中的两点失误原因,其中对General一词翻译有误,也导致了在化学教育中的不利影响,应该予以纠正,重新修订化学专业教学计划和课程设置方案,把化学教学改革推向前进.     

改革有机化学实验教学提高学生综合实验能力

有机化学实验是一门重要的专业基础课,它与课程教学是相辅相成,密不可分的统一体.该文从加强学生基本操作训练,增加综合性设计性实验以及开放实验室等方面进行了有机化学实验改革的探讨.     

我国旅行社应对旅游危机的决策分析和处理机制研究--以SARS危机事件为例

旅游危机严重影响旅游业的健康发展,应当引起高度重视.旅行社是旅游业的主体构成,是旅游者和旅游目的地之间的桥梁.为科学合理处理旅游危机,旅行社要建立危机管理制度和预警系统,提高员工危机意识,以便通过层次决策分析方法确定应采取的措施,最大限度地规避风险和减少损失.     

The landing zone – Ground for model transfer in chemistry

This essay proposes a new notion - the landing zone - in order to identify conceptual features that allow modelers to transfer mathematical tools across disciplinary borders. This discussion refers to the transferable models as ‘templates’. Templates are functions, equations, or computational methods that are capable of being generalized from a particular subject matter. There are formal and conceptual prerequisites for the transfer of a template to a new domain. A landing zone is an ontology that contributes to the satisfaction of these conditions for successful transfer. This paper presents a case study on a model in chemistry - the Quantum Theory of Atoms in Molecules (QTAIM) - that makes use of transferred templates from physics - the virial theorem and the wave function. The landing zone in this case is a new ontological notion, that of the topological atom, which prepares ground for the use of the virial theorem and the wave function in chemistry. The virial theorem requires that there exists in-principle stability to the system that it represents, and the wave function requires transformation in its representation that is justified. The ontology of QTAIM - the landing zone for these templates - grounds the scientific use of these templates in the context of chemistry.     

发散思维教学与学生创新能力的培养

本文用发散思维方法于无机化学教学过程，从不同的方向，不同的侧面，不同的层次，横向拓展，纵向深入，将学生的思维积极引向探索创新，克服思维定势，激发思维潜能，有助于学生全面把握相关知识点的相互联系和创新能力的提高。