Metastable states at low temperature in spin crossover compounds in the framework of the atom-phonon coupling model

In the current study we report on the unusual results obtained in the framework of the atom-phonon coupling model: two metastables states at low temperatures. These results can explain the experimental results reported by Ould Moussa et al. [9] and Matsumoto et al. [10]. This type of SCO behavior is due to the competition between the Light-Induced Excited Spin State Trapping (LIESST) effect, the elastic interaction between the molecules and the thermal activation. In order to determine the stability of the states founded at low temperature, the free energy F is presented for the case of the two step spin transition of a SCO compound.     

Hypotheses Testing for Error-in-Variables Models

In this paper, hypotheses testing based on a corrected score function are considered. Five different testing statistics are proposed and their asymptotic distributions are investigated. It is shown that the statistics are asymptotically distributed according to the chisquare distribution or can be written as a linear combination of chisquare random variables with one degree of freedom. A small scale numerical Monte Carlo study is presented in order to compare the empirical size and power of the proposed tests. A comparative calibration example is used to illustrate the results obtained.     

Crystallization and structural relaxation in quasicrystalline Al6CuMg4

We report here electron microscopic, differential scanning calorimetric (DSC) and X-ray diffraction studies on the phase transition in Al₆CuMg₄ alloy. Structural analysis of the transformed crystalline phase suggests that some of the lattice sites, which define the vertices of triacontahedron - the basic volume element of three dimensional Penrose tiling for this system - are fractionally occupied. We also observed that the specific heat of the as grown quasicrystalline alloy reduces gradually from 1.08J/gm. K at 330K to the Dulong Petit value 0.84J/gm. K around 420K, due to structural relaxation of the quasicrystalline phase.     

Ising nanowires with simple core–shell structure; Their characteristic phenomena

The phase diagrams and magnetizations of Ising nanowires with simple core–shell structure are investigated by the use of the effective field theory with correlations. A lot of characteristic behaviors observed in ferromagnetic and ferrimagnetic materials as well as novel phenomena have been obtained, although one section of the system is consisted of one spin-1/2 surface shell atom and one spin-1/2 core atom and they are coupled with a positive or a negative shell–core exchange interaction.     

N-甲基-N-芳基-2-(4''''-硝基苯硫基)乙酰胺类化合物的合成

先由芳胺合成 N-甲基芳胺 ,再由氯乙酰氯酰化后与对硝基硫酚在相转移催化条件下反应 ,生成 2 -(4 -硝基苯硫基 )乙酰芳胺。该法具有操作简便 ,产率高的优点。     

A HYDROGEN BONDING ASSISTED CATALYST SCREENED OUT VIA COMBINATORIAL CHEMISTRY STRATEGY

1. INTRODUCTIONReduction of organic compounds by NaBH, is often used in organic synthesis. The reactiollis only proceeded in the interface between the organic phase and water phase because of the lowsolubility of NaBH. in organic compounds, and this results in the slow reaction rate and lowyield. In order to increase the reaction rate and yield, NaBH, was converted totetraalkylammonium borohydrides II' 'l, and this made the operating process complex and greatamount of quaternary ammon…     

Numerical simulation of a Gaussian beam profile passing through a Kerr medium

The circular Gaussian beam shape has been simulated by numerical evaluation on beam shape based on z-scan method through beam radius. This method is useful in many studies such as z-scan experiments. The validity of the relation between peak and valley separation in close aperture data and the diffraction length of the beam has been investigated by this method for some real cases. The results are in good agreement with the experimental studies.     

Stability in the presence of degeneracy and error estimation

Received February 10, 1997 / Revised version received June 6, 1998 Published online October 9, 1998     

Reconstruction of Hp -Functions: Best Approximation,Regularization and Optimal Error Estimates

Let U be the open unit disc of the complex plane. We explicitly construct the best pointwise approximation for determining a function in the Hardy space H ^p (U) from measured data at a countable set of points in U whenever the data is exact. A regularization scheme is given to deal with the case of nonexact data. Moreover, optimal error estimates are also studied.     

A comparative study of particle swarm optimization and its variants for phase stability and equilibrium calculations in multicomponent reactive and non-reactive systems

Particle swarm optimization is a novel evolutionary stochastic global optimization method that has gained popularity in the chemical engineering community. This optimization strategy has been successfully used for several applications including thermodynamic calculations. To the best of our knowledge, the performance of PSO in phase stability and equilibrium calculations for both multicomponent reactive and non-reactive mixtures has not yet been reported. This study introduces the application of particle swarm optimization and several of its variants for solving phase stability and equilibrium problems in multicomponent systems with or without chemical equilibrium. The reliability and efficiency of a number of particle swarm optimization algorithms are tested and compared using multicomponent systems with vapor–liquid and liquid–liquid equilibrium. Our results indicate that the classical particle swarm optimization with constant cognitive and social parameters is a reliable method and offers the best performance for global minimization of the tangent plane distance function and the Gibbs energy function in both reactive and non-reactive systems.