第一性原理研究Ir的热力学和弹性性质

基于准谐近似理论,运用第一性原理投影缀加波方法研究了Ir的热力学和弹性性质,得到Ir的声子谱、状态方程、热容、熵、焓和线膨胀系数,以及弹性常数、弹性模量、剪切模量和杨氏模量随温度的变化关系.结果表明,计算的Ir声子谱和有限的实验测量结果一致;考虑电子对体系自由能贡献后计算的热容、熵、焓和线膨胀系数与实验值符合较好;在2600 K时,Ir的电子定压热容占总定压热容的17％,因此在高温时电子对Ir定压热容的贡献是不能忽略的;理论预测的Ir室温下的弹性常数、弹性模量、剪切模量、杨氏模量和实验值测量值基本吻合,并随温度的增加而逐渐减小.     

On the second law of thermodynamics

The second law of thermodynamics has two distinct aspects to its foundations. The first concerns the question of why entropy goes up in the future, and the second, of why it goes down in the past. Statistical physicists tend to be more concerned with the first question and with careful considerations of definition and mathematical detail. The second question is of quite a different nature; it leads into areas of cosmology and quantum gravity, where the mathematical and physical issues are ill understood.     

现行电力系统热经济性状态方程

本文用系统工程观点,定义了热力发电厂热经济性系统状态方程。指出,状态方程的结构与系统的结构一一对应,系统的热经济性取决于系统的结构及系统所处热力学状态。该方程的出现为电厂热经济性的计算、分析与综合提供了新的基础和研究方法。     

The surface phase transition and low-temperature phase of α-Ga(0 1 0) studied by SPA-LEED

The order–disorder phase transition on the α-Ga(0 1 0) structure was studied by spot-profile analysis low energy electron diffraction (SPA-LEED). A low temperature diffraction pattern reveals a small splitting of the overlayer spots which corresponds to a real-space distance of 81 Å, equivalent to 18 unit cells. The splitting is interpreted as caused by a regular ordering of anti-phase domains of the low-temperature phase. Due to the low symmetry of the surface, the domain boundaries are aligned only in one direction, giving rise to a regular, one-dimensional grid. The temperature dependence of the intensity and width of the reconstruction-induced diffraction spots is also investigated. It suggests that the phase transition takes place at a critical temperature T_c=232 K and that anti-phase boundary proliferation plays a role.     

Submonolayer Au on Si(111) phase diagram

Based on a review of the current literature, a surface phase diagram is proposed for the submonolayer Au on Si(111) system. Kinetic considerations are reviewed and key surface phase diagram features such as the Θ < 0.4 ML metastable structure and the high temperature to Si(111)-(1 × 1)Au second order phase transition are discussed. Experiments to verify certain portions of the phase diagram are proposed.     

Unique edge structure and stability of fabricated dimer islands on Si(001)

The edge structure and stability of monolayer-high islands fabricated on Si(001) surfaces by scanning tunneling microscopy have been analyzed theoretically. In contrast to the edges of similar islands grown by depositing Si, the properties of edges of fabricated islands are determined by the length of the trench of dimers that are removed to create the island. We demonstrate the possibility of controlling the edge structure, and thus the stability, through a selective process of atom removal.     

X-ray reflectivity study on gold films during sputter deposition

We performed in-situ X-ray reflectivity measurements of gold films during sputter deposition on polished silicon substrates. The measurements were performed at several substrate temperatures and under two argon pressures. The gold surfaces were also examined by scanning tunneling microscopy after deposition to obtain their real-space topographic images. These images were used to complement the X-ray reflectivity measurements in determining the effect of argon pressure on the gold surface and its height-height difference functions. An approximation for height-height difference functions was employed to analyze the X-ray reflectivity data. The measured interface width during growth followed a simple power law, consistent with recent theoretical results of dynamic scaling behavior. The scaling exponents, however, do not agree well with predictions based on some models in 2 + 1 dimensions.     

Scale-free behavior of the Internet global performance

Measurements and data analysis have proved very effective in the study of the Internet's physical fabric and have shown heterogeneities and statistical fluctuations extending over several orders of magnitude. Here we focus on the relationship between the Round-Trip-Time (RTT) and the geographical distance. We define dimensionless variables that contain information on the quality of Internet connections finding that their probability distributions are characterized by a slow power-law decay signalling the presence of scale-free features. These results point out the extreme heterogeneity of Internet delay since the transmission speed between different points of the network exhibits very large fluctuations. The associated scaling exponents appear to have fairly stable values in different data sets and thus define an invariant characteristic of the Internet that might be used in the future as a benchmark of the overall state of “health” of the Internet. Received 25 January 2003 Published online 7 May 2003     

现代热力学的完整分类系统--非平衡非耗散热力学新领域

在同一体系中同时有多个不可逆过程时，不可逆过程之间会有相互影响，原来的非自发过程有可能在其他自发过程的影响下得以进行，这种现象就称为热力学耦合或反应耦合，长期以来，经典热力学把热力学第二定律的等式作为平衡体系的充分必要条件，其中隐含了一个前提性的假定，即经典热力学的对象只限于非耦合的体系，摈弃这一隐含的前提性假定以后，热力学自身就发展成为一个现代热力学的完整学术体系，适用于任何宏观体系（包括极其复杂的生命体系），现代热力学的完整学术体系中包含了一个崭新的非平衡非耗散热力学新领域，由于该领域属于热力学第二定律的等式部分，因此可以定量计算，并得到一系列理论计算的非平衡相图，与文献上报道的激尖低压金刚石合成等的大量实验数据相符。     

分析热力学的应用：平衡态热力学中温度的相对论变换

用分析热力学的观点和方法研究了温度的相对论变换公式，得到了与Planck，Einstein和de Broglie完全相同的结果：T=1-β²T₀；分析热力学的特色和 优点是，在推演过程 中根本不需要δQ=1-βδQ₀这一可能引起争议的和p=p₀这 一显而易见的相对论变换公式，它们是作为附带结果出现的. 关键词： 分析热力学 相对论热力学 平衡态热力学 热力学基本Poisson括号