PuN基态分子势能函数与热力学函数的理论计算

在Pu的相对论有效原子实势近似和N原子 6 - 311G 全电子基函数下 ,用密度泛函B3LYP方法计算得到PuN分子基态X6Σ+ 的结构与势能函数、力常数与光谱数据 .同时计算得到PuN(g)分子在 2 98K时的标准生成热力学函数ΔfH0 、ΔS0 和ΔfG0 ,分别为 - 4 87.2 39kJ/mol、95 .345J/molK和 - 5 15 .6 6 6 1kJ/mol.     

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。     

An Estimation for the Power-Law Distribution Parameter Based on Entropy

A new estimation based on the Shannon entropy for the power-law distribution parameter is presented, The maximum likelihood estimation （MLE） of the parameter is discussed and the relation between the MLE and the moment estimation of the parameter is given out. It is shown that the minimum Shannon entropy estimation is equivalent to the MLE giving the log expectation.     

Note on the Constraint on Modified Energy-Momentum Relation

Quantum gravity can modify the usual energy-momentum dispersion relation. We provide evidence for the argument that the modified dispersion relation is constrained by the black hole thermodynamics, for consistency of quantum gravity.     

相互作用对玻色气体热力学性质及稳定性的影响

根据由赝势法得到的非理想玻色气体的自由能和状态方程，研究了相互作用对凝聚温度的影响.从热力学角度揭示了存在引力作用时定压热容量、等温压缩系数、定压膨胀系数的反常热力学特性.研究了引力作用下玻色气体系统的不稳定性，给出了不稳定性的温度判据和粒子数密度判据. 关键词： 相互作用 玻色气体 热力学性质 不稳定性判据     

The Second Law of Thermodynamic in Quantum System

The second law of thermodynamics is one of the most fundamental and for-reaching laws of physics. It teaches us that when a closed system undergoes a thermodynamic process the entropy of the system never decreases; it increases, or at least remains constant. If the entropy increases the thermodynamic process is irreversible, otherwise it is reversible. Only ideal thermal process is reversible. In classical world a great number of facts have proved the second law is true. But in quantum world since the quantum coherence and correlations exist we are not sure the second law is still true, at least in principle. This is because that： 1. on the microscopic level the irreversibility is conflict with the reversibility of all fundamental physical laws ; 2. there are not enough evidences to show it is true in quantum world.     

四氯合金属(II)酸烷铵在280-500K间的热力学性质和相变:III.四氯合镉(II)酸n-十二烷铵

在280-500K温度范围内用自动绝热量热计测量了(n-C~1~2H~2~5NH~3)~2CdCl~4的热容。在所研究的温度范围内发现一个固-固相转变, 其相变温度, 相变焓和相变熵分别为(332.4±0.1)K,(48.35±0.33)kJ.mol^-^1和(145.5±1.0)J.K^-^1.mol^-^1。结合已发表的(n-C~1~2H~2~5NH~3)~2MCl~4(M=Mn, Zn)的相变参数讨论了此类配合物的中心原子对其相变的影响。[MCl~4]^2^-配位方式的不同被认为是该类配合物的相变热参数产生差异的主要原因。     

A New Holographic Entropy Bound from Conformal Field Theory at the Killing Horizon

A new holographic entropy bound is obtained by using conformal field theory at the Killing horizon.The entropy bound is tighter than the well-known bounds,such as the Bekenstein,Bekenstein-Mayo and‘t Hooft bounds.The result shows that the entropy of a system decreases when quantum effects are included.Therefore,the quantum effect will increase the degree of order of the system.     

带到达时间的单机排序中的资源分配问题

讨论两个单机排序的资源分配问题1｜rj,pj=bj-ajuj,Cmax≤｜∑uj和1｜rj,prec,pj=bj-ajuj C max≤｜∑uj并给出求其最优资源分配的多项式算法.