Li-Ga-S体系热力学函数的第一性原理计算

采用第一性原理的平面波赝势法计算Li-Ga-S体系LiGa,Li₂S,GaS,Ga₂S₃和LiGaS₂的热力学数据,分析可能发生的化学反应,其中4个化学反应可以生成目标产物LiGaS₂.单质直接化合生成LiGaS₂的反应自由能变较高,Li₂S与Ga₂S₃化合生成LiGaS₂的反应自由能变随温度升高而降低,但体系很难获得Ga₂S₃,LiGa与S生成LiGaS₂和Li₂S与GaS化合生成LiGaS₂的自由能变较小,且体系生成Li₂S,GaS和LiGa的自由能变也较小,由此推断LiGaS₂多晶原料可以通过后两个反应获得.     

Further results on complete synchronization for noise-perturbed chaotic systems

In this Letter, a class of general systems which covers several famous chaotic systems is studied in complete synchronization with noise perturbation. Special nonlinear coupling techniques as well as LaSalle-type invariance principle of stochastic differential equations are employed to deduce our sufficient conditions for complete synchronization without involving the boundedness of chaotic systems. Furthermore, the correlative numerical simulations are given to illustrate the effectiveness of our theoretic results.     

基于电子结构理论的能量转移速率计算

以高精度的完全活化空间自洽场及二级微扰能量校正(CASPT2//CASSCF)电子结构计算为基础, 利用Förster和Dexter 2种模型, 建立了能量转移速率的数值模拟方案, 并将其用于2种典型的有机发光二极管发光分子Pt-4和FPt的光物理过程的计算, 结果发现, 蓝光态到红光态的能量转移和蓝光态到基态的辐射跃迁之间的竞争决定了发光颜色的浓度依赖性, 阐明了2个配合物溶液体系发射白光的微观机制. 通过比较2个配合物单体和双体不同电子态的结构和性质的差异, 对发光颜色与溶液浓度依赖性的微观本质给出了新的理论. 此外, 本文建立的能量转移速率模拟方案, 同时适用于其它激发态电子结构方法, 因此具有普适性.     

On Completeness and Minimality of Random Exponential System in a Weighted Banach Space of Functions Continuous on the Real Line

In this paper, the completeness and minimality properties of some random exponential system in a weighted Banach space of complex functions continuous on the real line for convex nonnegative weight are studied. The results may be viewed as a probabilistic version of Malliavin's classical results.     

Fast yet accurate computation of the complete radiance distribution in the coupled atmosphere-ocean system

The iteration of the source-function technique is used in conjunction with the discrete ordinate radiative transfer (DISORT) method to derive analytic solutions for the radiances at arbitrary polar angles and arbitrary levels in a multiple scattering (random) medium consisting of two strata with a change in the index of refraction across the interface between them. The atmosphere overlying a body of water (the ocean) serves as a prime example of such a system consisting of two adjacent strata with different indices of refraction. The accuracy of the solutions is tested by considering the coupled atmosphere-ocean system where absorption and scattering by molecules and particles are included. The tests show that these analytic solutions are superior to a spline interpolation that has been used previously in connection with the DISORT method applied to a random medium consisting of two strata with different indices of refraction.     

A characterization of complete integrability for partial differential equations of first order

We give a characterization of the notion of complete integrability for overdetermined systems of first order partial differential equations of real valued functions.Dedicated to the memory of Professor Masahisa Adachi     

On the asymptotic behavior of a complete bounded minimal surface in

In this paper we construct an example of a complete minimal disk which is properly immersed in a ball of .

     

Symbiotic Fusion Through Single-Crystal Li6D

A symbiotic fusion scheme is introduced. In the first phase of the process, a low-density current of deuterons propagates in a circular tunnel in the interior of a block of single-crystal Li⁶D with cubic crystal structure. Energy of the deuterons is limited by the condition that they not be neutralized by collisions with the tunnel wall. Deuteron current is driven through a rapidly rising magnetic field normal to the plane of the loop. Because of the coupling of the beam to the periodic array of molecules in the host, the beam goes into extended states. At the critical temperature (T _c 9.07 K) it becomes superconducting and with sufficient wave function overlap in this phase, it is proposed that fusion takes place. A superconducting product wave function is given by Gaussian space components and spin-1 functions polarized in the direction of the applied magnetic field. The Landau—Ginzberg equation is employed to calculate the coherence length for this process which is found to be of the order of the spread of the Gaussian per period of the wave function. This value of coherence length is consistent with significant wavefunction overlap. In the second phase, for a cubic fuel sample of edge length 15 cm, emitted particles interact with the host nuclei in a chain reaction. Assuming a probability of 0.01 that deuterons in the superconducting loop fuse, in 1 ms the device produces a yield 0.2 GJ. Injection and magnetic rise-time intervals are described and the interval over which the beam goessimultaneously to a superconducting phase from an extended state that fills the current tube. A model is described for this process that gives a criterion for the onset of fusion. A study of deuteron interaction in the superconducting state leads to a requirement for the tensile strength of the tunnel material. Another study derives the property that the Coulomb singularity between deuterons is reduced in the superconducting phase.     

Formality of equivariant intersection cohomology of algebraic varieties

We present a proof that the equivariant intersection cohomology of any complete algebraic variety acted by a connected algebraic group is a free module over .

     

Frustration without competing interactions

The concept of frustration is investigated following an idea of Anderson. A simple, frustrated in Anderson's sense, nonrandom classical lattice spin system without competing interactions is discussed, which exhibits infinitely many equilibrium states at low temperature. The overlap distribution function is calculated exactly to be a delta function at zero.