Gravitational Entropy in Cosmological Models

We discuss whether an appropriately defined dimensionless scalar function might be an acceptable candidate for the gravitational entropy, by explicitly considering Szekeres and Bianchi type VI _h models that admit an isotropic singularity. We also briefly discuss other possible gravitational entropy functions, including an appropriate measure of the velocity dependent Bel-Robinson tensor. PACS: 04.20.-q 95.30.Sf 98.80.Jk     

Theoretical insight of adsorption thermodynamics of multifunctional molecules on metal surfaces

Adsorption thermodynamics based on density functional theory (DFT) calculations are exposed for the interaction of several multifunctional molecules with Pt and Au(1 1 0)-(1 × 2) surfaces. The Gibbs free adsorption energy explicitly depends on the adsorption internal energy, which is derived from DFT adsorption energy, and the vibrational entropy change during the chemisorption process. Zero-point energy (ZPE) corrections have been systematically applied to the adsorption energy. Moreover the vibrational entropy change has been computed on the basis of DFT harmonic frequencies (gas and adsorbed phases, clean surfaces), which have been extended to all the adsorbate vibrations and the metallic surface phonons. The phase diagrams plotted in realistic conditions of temperature (from 100 to 400 K) and pressure (0.15 atm) show that the ZPE corrected adsorption energy is the main contribution. When strong chemisorption is considered on the Pt surface, the multifunctional molecules are adsorbed on the surface in the considered temperature range. In contrast for weak chemisorption on the Au surface, the thermodynamic results should be held cautiously. The systematic errors of the model (choice of the functional, configurational entropy and vibrational entropy) make difficult the prediction of the adsorption-desorption phase boundaries.     

Hawking Absorption and Planck Absolute Entropy of Kerr-Newman Black Hole

We find the existence of a quantum thermal effect, “Hawking absorption.” near the inner horizon of the Kerr–Newman black hole. Redefining the entropy, temperature, angular velocity, and electric potential of the black hole, we give a new formulation of the Bekenstein–Smarr formula. The redefined entropy vanishes for absolute zero temperature of the black hole and hence it is interpreted as the Planck absolute entropy of the KN black hole.     

树映射的分布混沌

设T是个有限树,f是T上的连续映射．证明了f是分布混沌的当且仅当它的拓扑熵是正数．一些已知结论得到了改进．     

He-HCl体系各向异性势及分波散射截面的理论研究

首先用BFW势函数形式拟合了在CCSD(T)/aug-cc-pVQZ理论水平下计算的He-HCl相互作用能数据，获得了He原子与HCl分子相互作用的各向异性势；然后采用CC近似方法计算了He-HCl碰撞体系的微分散射截面和分波散射截面，并总结了分波散射截面的变化规律.结果表明，拟合势不但表达形式简洁，而且较好地描述了He-HCl系统相互作用的各向异性特征；利用碰撞体系分子间势的量子化学从头计算结果，可解决势能参数难以确定的问题.对进一步研究原子与分子碰撞机理有一定参考价值. 关键词： 各向异性势 势能参数 密耦近似 分波散射截面     

从新《大纲》看文化差异教学

化与语言的相互依存，使化教学日益成为英语教学的重要环节。本结合新《高等学校英语专业英语教学大纲》讨论了化差异敏感性与跨化交际能力的正比关系，探讨了化差异教学的主要内容，并提出了化差异教学的教学原则。     

吸附树脂对对甲苯胺的静态吸附行为及其热力学性质的研究

对比 Amberlite XAD-4与两种新型吸附树脂 NK和新 H对对甲苯胺的静态吸附行为 ,根据吸附等温线研究并讨论吸附热力学性质 .两种新型吸附树脂对对甲苯胺的吸附能力明显强于 Amberlite XAD-4 ,微孔作用机制及表面部分极性起决定作用 .吸附焓变 ΔH<0表明吸附为放热过程 ,降低温度有利于吸附 .对吸附焓变和自由能变的讨论同时表明树脂对对甲苯胺的吸附为多层物理吸附过程 .吸附熵变 ΔS表明吸附树脂表面的不均匀性和吸附质分子在树脂表面的分布及其局域运动与吸附有密切关系 .     

Tunneling Radiation of a Torus-Like Black Hole in Anti-de Sitter Space-Time

An extension of the Parikh-Wilczek's semi-classical quantum tunneling method, the tunneling radiation of the charged particle from a torus-like black hole is investigated. Difference from the uncharged mass-less particle, the geodesics of the charged massive particle tunneling from the black hole is not light-like, but determined by the phase velocity. The derived result shows that the tunneling rate depends on the emitted particle's energy and electric charge, and takes the same functional form as uncharged particle. It proves also that the exact emission spectrum is not strictly pure thermal, but is consistent with the underlying unitary theory. PACS Numbers: 04.70.Dy, 97.60.Lf, 05.30.Ch.     

Hierarchy of rational order families of chaotic maps with an invariant measure

We introduce an interesting hierarchy of rational order chaotic maps that possess an invariant measure. In contrast to the previously introduced hierarchy of chaotic maps [1–5], with merely entropy production, the rational order chaotic maps can simultaneously produce and consume entropy. We compute the Kolmogorov-Sinai entropy of these maps analytically and also their Lyapunov exponent numerically, where the obtained numerical results support the analytical calculations.