TEM investigation of the formation mechanism of deformation twins in Fe–Mn–Si–Al TWIP steels

The microstructure of a Fe–Mn–Si–Al twinning-induced plasticity (TWIP) steel exhibiting remarkable work hardening rate under uniaxial tensile deformation was investigated using transmission electron microscopy to uncover the mechanism(s) controlling the nucleation and growth of the mechanically induced twins. The results show that the stair-rod cross-slip deviation mechanism is necessary for the formation of the twins, while large extrinsic stacking faults homogenously distributed within the grains could act as preferential sources for the activation of the deviation process. The influence of such features on the thickness and strength of the twins and the resulting mechanical behaviour is discussed and compared to similar works recently performed on Fe–Mn–C TWIP steels.     

Long‐range analysis of density fitting in extended systems

Density fitting scheme is analyzed for the Coulomb problem in extended systems from the correctness of long‐range behavior point of view. We show that for the correct cancellation of divergent long‐range Coulomb terms it is crucial for the density fitting scheme to reproduce the overlap matrix exactly. It is demonstrated that from all possible fitting metric choices the Coulomb metric is the only one which inherently preserves the overlap matrix for infinite systems with translational periodicity. Moreover, we show that by a small additional effort any non‐Coulomb metric fit can be made overlap‐preserving as well. The problem is analyzed for both ordinary and Poisson basis set choices. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008     

一个新的高维向量Lie代数及其应用

构造了一个新的8维向量Lie代数,通过适当设计等谱问题,利用屠格式和扩展的迹恒等式得到了AKNS族的可积耦合及Hamilton结构.     

Chern-simons theory in the SO(5)/U(2) harmonic superspace

We consider the superspace of D=3, N=5 supersymmetry using SO(5)/U(2) harmonic coordinates. Three analytic N=5 gauge superfields depend on three vector and six harmonic bosonic coordinates and also on six Grassmann coordinates. Decomposing these superfields in Grassmann and harmonic coordinates yields infinite-dimensional supermultiplets including a three-dimensional gauge Chern-Simons field and auxiliary bosonic and fermionic fields carrying SO(5) vector indices. The superfield action of this theory is invariant with respect to the D=3, N=6 conformal supersymmetry realized on N=5 superfields. __________ Translated from Teoreticheskaya i Matematicheskaya Fizika, Vol. 157, No. 2, pp. 217–234, November, 2008.     

Extended Bose-Hubbard model with pair hopping on triangular lattice

We study systematically an extended Bose-Hubbard model on the triangular lattice by means of a meanfield method based on the Gutzwiller ansatz. Pair hopping terms are explicitly included and a three-body constraint is applied. The zero-temperature phase diagram and a variety of quantum phase transitions are investigated in great detail. In particular, we show the existence and the stability of the pair supersolid phase.     

Bifurcation method for solving multiple positive solutions to Henon equation

Three algorithms based on the bifurcation method are applied to solving the D4 symmetric positive solutions to the boundary value problem of Henon equation. Taking r in Henon equation as a bi- furcation parameter, the D4-Σd(D4-Σ1, D4-Σ2) symmetry-breaking bifurcation points on the branch of the D4 symmetric positive solutions are found via the extended systems. Finally, Σd(Σ1, Σ2) sym- metric positive solutions are computed by the branch switching method based on the Liapunov-Schmidt reduction.     

广义Stirling数偶的理论及应用

The object of this expository paper is to sum up several results concerning generalized Stirling number (GSN) pairs investigated earlier by the author. Also expounded in some detail are two kinds of extended GSN pairs with applications (illustrative examples).     

P-twisted affine Lie algebra and its realizations by twisted vertex operators

In this paper, we define a P-twisted affine Lie algebra, and construct its realizations by twisted vertex operators.     

Numerical examination of the extended phase‐space volume‐preserving integrator by the Nosé‐Hoover molecular dynamics equations

This article illustrates practical applications to molecular dynamics simulations of the recently developed numerical integrators [Phys Rev E 2006, 73, 026703] for ordinary differential equations. This method consists of extending any set of ordinary differential equations in order to define a time invariant function, and then use the techniques of divergence‐free solvable decomposition and symmetric composition to obtain volume‐preserving integrators in the extended phase space. Here, we have developed the technique by constructing multiple extended‐variable formalism in order to enhance the handling in actual simulation, and by constituting higher order integrators to obtain further accuracies. Using these integrators, we perform constant temperature molecular dynamics simulations of liquid water, liquid argon and peptide in liquid water droplet. The temperature control is obtained through an extended version of the Nosé‐Hoover equations. Analyzing the effects of the simulation conditions including time step length, initial values, boundary conditions, and equation parameters, we investigate local accuracy, global accuracy, computational cost, and sensitivity along with the sampling validity. According to the results of these simulations, we show that the volume‐preserving integrators developed by the current method are more effective than traditional integrators that lack the volume‐preserving property. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2009