Transient dynamical behavior and phase transitions in magnetic systems

It was recently suggested that transient dynamical properties were of some use to predict equilibrium critical properties of 2D and 3D models of statistical mechanics on the lattice. We investigate such dynamical properties for three related models with competitive interactions, namely the ANNNI model, the brickwork model, and the BNNNI model. In spite of known differences in their equilibrium phase diagrams, our simulations display similar transient dynamical behaviors for all three models. The reliability of this method for probing equilibrium properties seems therefore questionable even for rather simple magnetic models without any structural disorder.On leave from Centre de Physique Théorique, Ecole Polytechnique, 91128, Palaiseau Cedex, France.     

Exact coexistence surfaces containing double critical points for a three-component solution on the Bethe,honeycomb, and square lattices

A model is considered in which the bonds of a lattice are covered by rodlike molecules. Neighboring molecular ends interact with orientation-dependent interactions. The model exhibits closed -loop phase diagrams and double critical points. Exact coexistence surfaces are calculated for the model on the Bethe, honeycomb, and square lattices. The nature of the doubling of the critical exponent near a double critical point is calculated. The behavior of the critical line in the neighborhood of a double critical point is calculated exactly.     

Chiral Potts model as a descendant of the six-vertex model

We observe that theN-state integrable chiral Potts model can be considered as a part of some new algebraic structure related to the six-vertex model. As a result, we obtain a functional equation which is supposed to determine all the eigenvalues of the chiral Potts model transfer matrix.     

An investigation of finite-size scaling for systems with long-range interaction: The spherical model

A method is suggested for the derivation of finite-size corrections in the thermodynamic functions of systems with pair interaction potential decaying at large distancesr asr ^{–d –} , whered is the space dimensionality and>0. It allows for a unified treatment of short-range (=2) and long-range (<2) interaction. The asymptotic analysis is illustrated by the mean spherical model of general geometryL ^d–d× ^d subject to periodic boundary conditions. The Fisher-Privman equation of state is generalized to arbitrary real values ofd, 0d. It is shown that the-expansion may be used to study the breakdown of standard finite-size scaling at the borderline dimensionalities.     

Infinite-order phase transition in a classical spin system

For an exactly soluble classical spin model with long-range inhomogeneous coupling it is proved that in the absence of external magnetic field the free energy is aC function of the temperature at the critical point.     

Nucleation near the spinodal in long-range Ising models

Properties of metastable long-range Ising models (LRIMs) are studied for deep quenches near the mean-field spinodal with Monte Carlo simulations using Glauber dynamics. The theory of spinodal-assisted nucleation is found to agree well with the data. Nucleating droplets are shown to have the same structure as large clusters in random long-range bond percolation.     

Relaxation in cooperative systems: Use of mixture virial coefficients

The coefficients in power series in the variable time that describe relaxation in a cooperative system can be calculated using a combinatorial approach where one considers how many ways one can introduce a given number of properly defined events in a system. The coefficients obtained in this manner can be related to the equilibrium virial coefficients for a mixture. If one assumes rapid internal equilibration, the relaxation process can be expressed completely in terms of the viral coefficients for a mixture with at most one solute particle, or, in some cases, just the virial coefficients for a single-component system. Thus, equilibrium virial coefficients can give useful information about the time evolution of processes in cooperative systems.     

Metastability and exponential approach to equilibrium for low-temperature stochastic Ising models

We present a proof of the exponential convergence to equilibrium of single-spin-flip stochastic dynamics for the two-dimensional Ising ferromagnet in the low-temperature case with not too small external magnetic fieldh uniformly in the volume and in the boundary conditions.     

将SVRT模型应用到单原子多原子反应F+CH2D2→CH2D/CHD2+DF/HF中

由于含时波包方法具有经典的直观又不乏量子力学的准确 ,选择含时波包方法来处理F +CH2 D2 →CH2 D/CHD2 +DF/HF反应 .把半刚性振转子 (SVRT)模型应用到该反应体系中 ,研究了两个通道中该反应从基态反应物开始在修正过的J1(MJ1)势能面上计算出来了反应几率、积分截面、速率常数 .反应几率随能量变化的图的数值结果给出了振荡结构 ,这些振荡结构是可以和动力学振荡联系起来的 .而这些振荡结构在积分截面随着能量变化的图中就被反应几率求和后的平均结果所掩盖了 .速率常数和实验结果的比较也得到了较好的结果 .     

Au(111)上烷烃硫醇SAMs表面应力的理论研究

应用已建立的关于金属表面吸附层中表面应力的统计热力学理论 ,计算了Au(111)上烷烃硫醇SAMs的表面应力及其与烷烃硫醇链长、吸附覆盖度的定量关系 .计算结果与实验相符 ,较好地解释了Berger等人的实验结果 ,特别是解决了在表面应力符号性质上理论与实验的矛盾 .在表面吸附层应力的多种物理起源中 ,通过底物的分子间作用力有着决定性的贡献 ,揭示了分子的吸附能间接地起着重要作用 .这与阴离子化学吸附体系Cl-/Au(111)的有关研究结果相同 .