Size dependence of self-diffusion in the hard-square lattice gas

A striking size dependence of the mean-square displacement of diffusing particles in the two-dimensional lattice gas of hard squares has been observed by Monte Carlo simulation. It is shown that the size effect is due to the formation of a stable cage structure in small lattices when the particle concentration is high. The formation of cages is governed by a new type of percolation problem related to bootstrap percolation.     

Monte Carlo simulation of grain growth in polycrystalline materials

Understanding the kinetics of grain growth, under the influence of second phase (such as impurities, voids and bubbles) is fundamental to advances in the control of microstructural evolution. As a precursor to this objective, we have investigated the grain growth kinetics in a polycrystalline material using a standard Q-state Potts’ model under Monte Carlo settings. Based on physical reasoning, new modifications are suggested to circumvent some of the disadvantages in the basic Potts model. The efficacy of these modifications vis-à-vis the basic model is verified. The influence of second phase particles on the impurity loaded grain boundaries is investigated for the study of grain growth kinetics.     

A 3D-BPP approach for optimising stowage plans and terminal productivity

This paper addresses the problem of determining stowage plans for containers in a ship, that is the so-called master bay plan problem (MBPP).     

The phase diagram of a single polymer chain: New insights from a new simulation method

We present simulation results for the phase behavior of a single chain for a flexible lattice polymer model using the Wang-Landau sampling idea. Applying this new algorithm to the problem of the homopolymer collapse allows us to investigate not only the high temperature coil–globule transition but also an ensuing crystallization at lower temperature. Performing a finite size scaling analysis on the two transitions, we show that they coincide for our model in the thermodynamic limit corresponding to a direct collapse of the random coil into the crystal without intermediate coil–globule transition. As a consequence, also the many chain phase diagram of this model can be predicted to consist only of gas and crystal phase in the limit of infinite chain length. This behavior is in agreement with findings on the phase behavior of hard-sphere systems with a relatively short-ranged attractive square well. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 2542–2555, 2006     

SIMPLE TECHNIQUES FOR DETERMINING THE SMALL-SIGNAL EQUIVALENT CIRCUIT OF MESFET’s

Simple techniques for determining the broadband small signal equivalent circuit (SSEC) of MESFETs are presented in this paper. The intrinsic elements are calculated using two-dimensional method from the Y parameters, which are obtained from the Fourier analysis of the device transient response to voltage-step perturbations at the drain and gate electrodes. Whereas, the parasitic external elements are determined by simple approximations used in transmission line modeling. In addition, a new technique is also proposed to determine the source and drain series resistances. A comparison of the SSEC of three different MESFETs technologies shows that the MESFETs on GaN and 4H-SiC are suitable for high power applications. The method used to determine the intrinsic elements is validated with simulated data obtained by Monte Carlo method.     

The nanogranular nature of C-S-H

Despite its ubiquitous presence as binding phase in all cementitious materials, the mechanical behavior of calcium-silicate-hydrates (C-S-H) is still an enigma that has deceived many decoding attempts from experimental and theoretical sides. In this paper, we propose and validate a new technique and experimental protocol to rationally assess the nanomechanical behavior of C-S-H based on a statistical analysis of hundreds of nanoindentation tests. By means of this grid indentation technique we identify in situ two structurally distinct but compositionally similar C-S-H phases heretofore hypothesized to exist as low density (LD) C-S-H and high density (HD) C-S-H, or outer and inner products. The main finding of this paper is that both phases exhibit a unique nanogranular behavior which is driven by particle-to-particle contact forces rather than by mineral properties. We argue that this nanomechanical blueprint of material invariant behavior of C-S-H is a consequence of the hydration reactions during which precipitating C-S-H nanoparticles percolate generating contact surfaces. As hydration proceeds, these nanoparticles pack closer to center on-average around two characteristic limit packing densities, the random packing limit (η=64%) and the ordered face-centered cubic (fcc) or hexagonal close-packed (hcp) packing limit (η=74%), forming a characteristic LD C-S-H and HD C-S-H phase.     

Constant Q-curvature metrics in arbitrary dimension

Working in a given conformal class, we prove existence of constant Q-curvature metrics on compact manifolds of arbitrary dimension under generic assumptions. The problem is equivalent to solving a nth-order non-linear elliptic differential (or integral) equation with variational structure, where n is the dimension of the manifold. Since the corresponding Euler functional is in general unbounded from above and below, we use critical point theory, jointly with a compactness result for the above equation.     

On the evolution of two-dimensional patterns in an inviscid liquid sheet

We perform an analysis of the pattern formation for a moving sheet of inviscid fluid. The sheet, which is assumed to have an infinite horizontal extent, moves at some prescribed velocity into a passive surrounding gas. The sheet’s thickness is assumed much smaller than the horizontal scale of the fluid motion. By considering a system that is symmetric with respect to the horizontal planes, long scale asymptotics are used to reduce the full governing equations in three dimensions to a set of three coupled nonlinear partial differential equations for the horizontal components of the velocity field and the height of the interface profile. The interfacial conditions consisting of the kinematic and normal stress balance are incorporated into these evolution equations. Investigations are carried out as function of the sole dimensionless parameter, namely the Weber number. A small amplitude stability analysis around the planar gas–liquid interface reveals that wave patterns in the form of traveling plane waves occur subcritically, and are therefore unstable. The reduced evolution equations are solved numerically for fixed values of the Weber number. Since the reduced system of equations is homogeneous, the wave motion is generated by initial conditions. Five initial conditions have been imposed: one-dimensional rolls, two-dimensional squares, two-dimensional hexagons, two-dimensional ridges, and smooth peaks. The ensuing evolution of the liquid sheet’s shape and corresponding flow fields are described by illustrations of the changes in the sheet’s morphology with time.     

BNCT优化网格设计及相关算法研究

用MCNP蒙特卡罗程序模拟了硼中子俘获治疗(BNCT)3种国际基准网格模型, 并与 修正的Snyder椭球模型进行了比较. 在此基础上, 给出了一种保质量守恒、内存量少、易于产生输入文件的4种基本材料成分的BNCT网格模型. 计算结果表明, 在4mm网格下, 新模型可以达到基准模型的精度; 根据解析模型剂量随深度的变化规律, 研究构造了多网格组合模型, 在重要区域计算精度不损失的条件下, 计算时间大大缩短. 最后研究给出了一个既保证精度、又在可接受的时间内完成剂量计算的模型、样本数和相应的算法, 它基本上满足临床BNCT的要求.     

Combinational simulations of free energy of polymer solution

It is conceptually proposed that the total entropy of polymer solution is contributed from two distinct parts: the positional and the oomformational. The former can be represented analytically, while the latter can be simulated with the random self-avoiding walk model on the simple cubic lattice for multichain systems. The obtained results indicated that both the conformational entropy and the mixing heat are consistent with the scaling laws wry well.