Protein Conformation of a Lattice Model Using Tabu Search

We apply tabu search techniques to the problem of determining the optimal configuration of a chain of protein sequences on a cubic lattice. The problem under study is difficult to solve because of the large number of possible conformations and enormous amount of computations required. Tabu search is an iterative heuristic procedure which has been shown to be a remarkably effective method for solving combinatorial optimization problems. In this paper, an algorithm is designed for the cubic lattice model using tabu search. The algorithm has been tested on a chain of 27 monomers. Computational results show that our method outperforms previously reported approaches for the same model.     

Thermal helium clusters at 3.2 Kelvin in classical and semiclassical simulations

The thermodynamic stability of⁴He_4–13 at 3.2 K is investigated with the classical Monte Carlo method, with the semiclassical path-integral Monte Carlo (PIMC) method, and with the semiclassical all-order many-body method. In the all-order many-body simulation the dipole-dipole approximation including short-range correction is used. The resulting stability plots are discussed and related to recent TOF experiments by Stephens and King. It is found that with classical Monte Carlo of course the characteristics of the measured mass spectrum cannot be resolved. With PIMC, switching on more and more quantum mechanics. by raising the number of virtual time steps results in more structure in the stability plot, but this did not lead to sufficient agreement with the TOF experiment. Only the all-order many-body method resolved the characteristic structures of the measured mass spectrum, including magic numbers. The result shows the influence of quantum statistics and quantum mechanics on the stability of small neutral helium clusters.     

Heat transfer in lattice BGK modeled fluid

The thermal lattice BGK model is a recently suggested numerical tool aiming at solving problems of thermohydrodynamics. The quality of the lattice BGK simulation is checked in this paper by calculating temperature profiles in the Couette flow under different Eckert and Mach numbers. A revised lower order model is proposed to improve the accuracy and the higher order model is proved to be advantageous in this respect, especially in the flow regime with a higher Mach number.     

Metastability of a circular o-ring due to intrinsic curvature

An o-ring takes spontaneously the shape of a chair when strong enough torsion is applied in its tangent plane. This state is metastable, since work has to be done on the o-ring to return to the circular shape. We show that this metastable state exists in a Hamiltonian where curvature and torsion are coupled via an intrinsic curvature term. If the o-ring is constrained to be planar (2d case), this metastable state displays a kink-anti-kink pair. This state is metastable if the ratio is less than , where C and A are the torsion and the bending elastic constants [#!landau!#]. In three dimensions, our variational approach shows that . This model can be generalized to the case where the bend is induced by a concentration field which follows the variations of the curvature. Received: 27 August 1997 / Revised: 23 October 1997 / Accepted: 12 November 1997     

短脉冲载荷下金属材料的层裂破坏

 本文用点炮加载聚酯薄膜飞片撞击金属靶材料，飞片速度0.714~2.24 km/s，脉冲宽度40~80 ns，击靶压力为2.280~11.952 GPa。在回收的铝、铜和钢靶样品上观察到层裂现象。通过金相分析发现它们的破坏方式与在一般较长脉冲加载下的破坏方式相似，铝和铜以延性方式破坏；钢则以脆性方式破坏。一维和二维数值模拟结果表明通常的几种层裂判据在这个应力、应变和应变率范围内也基本上适用。     

Some properties of the bilevel programming problem

The purpose of this paper is to elaborate on the difficulties accompanying the development of efficient algorithms for solving the bilevel programming problem (BLPP). We begin with a pair of examples showing that, even under the best of circumstances, solutions may not exist. This is followed by a proof that the BLPP is NP-hard.This work was partially supported by a grant from the Advanced Research Program of the Texas Higher Education Coordinating Board.     

On acoustic and electric waves diffraction in piezoelectric medium by a permeable half-plane crack

The problem of electric and acoustic waves diffraction by a half-plane crack in a transversal isotropic piezoelectric medium is investigated. The crack is assumed to be electric permeable and free of tractions. The so-called “quasi-hyperbolic approximation” [15] is adopted. Applying Laplace transformations and Wiener–Hopf technique a closed form solution is obtained. By the means of Cagniard–de Hoop method a detailed dynamic full electroacoustic wavefield’s investigation is conducted. Mode conversion between electric and acoustic waves, effect of electroacoustic head wave, Bleustein–Gulyaev surface wave and the wavefield structure depending on the type of the incident wave (acoustic or electric) and its angle of incidence are analyzed in details. The dynamic field intensity factors at the crack tip depending on the angle of incidence and on time are derived explicitly. Numerical analysis is presented.     

Metric fluctuations,entropy, and the Wheeler-deWitt equation

Quantization using quantum potentials is described in terms of momentum fluctuations, and it is related to Fisher information and entropy. __________ Translated from Teoreticheskaya i Matematicheskaya Fizika, Vol. 152, No. 1, pp. 32–44, July, 2007.     

Adhesion studies of latex film surfaces on the meso- and nanoscale

In this paper the effects of surface roughness and annealing temperature (T) of latex coating films on adhesion are discussed for the different stages of the film formation process. The surface free energy of latex films was assessed in terms of practical work of adhesion (W) (or adherence) using a custom-built adhesion-testing device (ATD), atomic force microscopy (AFM), and contact angle measurements. For preannealed latex films surface roughness averages (R_a) were determined from AFM height images and were related to the values of W obtained from ATD measurements at room temperature. The results obtained using these tests exhibiting surface behavior on different length scales indicate a dependence of the measured adhesion on surface roughness and temperature, as well as on the length scale of the measurements.First preannealed samples were studied, which were obtained by heat treatment above the respective glass transition temperatures (T_g). Increasing the temperature of preannealing resulted in a decrease of the adherence observed in ATD experiments at room temperature. However, on the nanoscale, using AFM, no significant variation of the adherence was observed. This observation can be explained by roughness arguments. Preannealing decreases roughness which results in lower adherence values measured by ATD while for essentially single asperity AFM experiments roughness has an insignificant effect. Specimens were also annealed over a constant period of time (90 min) at different temperatures. At the end of the heat treatment, adhesion was measured at the treatment temperature by ATD. The amplified effect of temperature observed in this case on adherence is attributed to the combination of roughness decrease and increasing test temperature. In a third set of experiments completely annealed samples were studied by ATD as well as by AFM as a function of temperature. With increasing T values ATD showed a decrease in adherence, which is attributed to a decreasing surface free energy of the annealed films at elevated T values. AFM, on the other hand, showed an opposite trend which is assigned to increasing penetration of the tip into the tip/wetting polymer samples versus increasing temperature. Finally, annealing isotherms as a function of time were investigated by ATD in situ at different temperatures. This last set of experiments allowed us to optimize annealing time and temperature to achieve complete curing.     

A Model for Spacetime: The Role of Interpretation in Some Grothendieck Topoi

We analyse the proposition that the spacetime structure is modified at short distances or at high energies due to weakening of classical logic. The logic assigned to the regions of spacetime is intuitionistic logic of some topoi. Several cases of special topoi are considered. The quantum mechanical effects can be generated by such semi-classical spacetimes. The issues of: background independence and general relativity covariance, field theoretic renormalization of divergent expressions, the existence and definition of path integral measures, are briefly discussed in the proposal. The connection with some problems in foundations of mathematics and differential topology are also discussed.