The concentration effect on the ‘hydrophobic’ and ‘hydrophilic’ behaviour around DMSO in dilute aqueous DMSO solutions. A computer simulation study

We have carried out a molecular dynamics study of dimethyl sulfoxide (DMSO) in water at 298 K at two different densities by simulating two different concentrations: 0.055 and 0.19 mole fraction. We have found an enhancement in the structure of water, an effect that becomes more pronounced as the concentration of DMSO increases. At both concentrations there is a well-defined hydration structure around the oxygen atom of DMSO, which is able to establish strong hydrogen bonds with surrounding water molecules. An increase in the concentration of DMSO depletes the solution of bulk water molecules, reducing the number of hydrogen bonds that water can have in the immediate vicinity of DMSO but increasing the strength of the hydrogen bonds made between the oxygen atom of DMSO and water. There is clear evidence of ‘hydrophobic’ hydration around the methyl groups of DMSO, which is enhanced as the concentration of DMSO increases.     

Fitting the control parameters of a genetic algorithm: An application to technical trading systems design

This paper studies the problem of how changes in the design of the genetic algorithm (GA) have an effect on the results obtained in real-life applications. In this study, focused on the application of a GA to the tuning of technical trading rules in the context of financial markets, our tentative thesis is that the GA is robust with respect to design changes. The optimization of technical trading systems is a suitable area for the application of the GA metaheuristic, as the complexity of the problem grows exponentially as new technical rules are added to the system and as the answer time is crucial when applying the system to real-time data. Up to now, most of GAs applications to this subject obviated the question of possible “design dependence” in their results. The data we report, based on our experiments, do not allow us to refute the hypothesis of robustness of the GA to design implementation, when applying to technical trading systems tuning.     

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.     

Multibody dynamics of aircraft occupants seated behind interior walls

To improve aircraft crash safety, conditions critical to occupants survival during a crash must be known. In view of the importance of this problem, studies of post-crash dynamic behavior of victims are necessary in order to reduce severe injuries. In this study, crash dynamics program SOM-LA/TA, incorporating a dynamic model of the human body with a finite element model of the seat structure was used. Modifications were performed in the program for reconstruction of an occupant's head impact with the interior walls or bulkhead. A viscoelastic-type contact force model was used to represent the compliance characteristics of the bulkhead. Correlated studies of analytical simulations with impact sled test results were accomplished. A parametric study of the coefficients in the contact force model was then performed in order to obtain the correlations between the coefficients and the Head Injury Criteria. A measure of optimal values for the bulkhead compliance and displacement requirements was thus achieved in order to keep the possibility of a head injury as little as possible. This information could in turn be used in the selection of suitable materials for the bulkhead, instrument panel, or interior walls of an aircraft.     

Simulation and Experimental Analysis of Super High-Speed Grinding of Ductile Material

This study aims to reduce the work-affected layer of the machined surface by carrying out the grinding at the speed over static pr o pagation speed of plastic wave of ductile materials and also aims to clarify suc h super high-speed machining mechanism.This paper reports on the result obtain ed through the molecular dynamics simulations and experiments on the super-spee d grinding below and beyond static propagation speed of aluminum.From the simul ation results,it is verified that the plastic deformation ...     

Molecular dynamics simulation of entropy and surface tension for grain boundary of α-Fe

The grain boundary is an interface and the surface tension is one of its important thermodynamic properties. In this paper, the surface tension of the ∑9 grain boundary for α-Fe at various temperatures and pressures is calculated by means of Computer Molecular Dynamics (CMD). The results agree satisfactorily with the experimental data. It is shown that the contribution of entropy to surface tension of grain boundary can be ignored. The project supported by the National Natural Science Foundation of China and the Science Foundation of Chinese Academy of Sciences.     

Lagrange方程的动力学本质

对广泛应用的Lagrange方程的动力学本质做了探讨,指出在引入速度变换矩阵后,Lagrange方程实际上是牛顿第二定律的一种表示方式;由于引入了速度变换矩阵,Lagrange方程可以方便地在任意的坐标系中建立,对动力学问题的求解提供了一个途径。     

一类三参数混沌动力学系统模型及其在经济增长研究中的应用

从非线性自回归模型Xt+1=-αXtλ+1+βXt+γ出发,通过变量替换Xt=aYt,推出三参数混沌动力学系统模型Yt+1=kYt(1-Ytλ)+c;采用线性回归与非线性回归相结合的改进的混合法,对模型参数作了估计;实际研究表明,该模型可以用于对国内生产总值GDP增长的研究.     

A numerical study of time-dependent schr?dinger equation for multiphoton vibrational interaction of NO molecule, modelled as Morse oscillator, with intense far-infrared femtosecond lasers

For the NO molecule, modelled as a Morse oscillator, time-dependent (TD) nuclear Schr?dinger equation has been numerically solved for the multiphoton vibrational dynamics of the molecule under a far-infrared laser of wavelength 10503 nm, and four different intensities,I = 1 × 10⁸, 1 × 10¹³, 5 × 10¹⁶, and 5 × 10¹⁸ W cm⁻² respectively. Starting from the vibrational ground state at zero time, various TD quantities such as the norm, dissociation probability, potential energy curve and dipole moment are examined. Rich high-harmonics generation (HHG) spectra and above-threshold dissociation (ATD) spectra, due to the multiphoton interaction of vibrational motions with the laser field, and consequent elevation to the vibrational continuum, have been obtained and analysed. Dedicated to Professor C N R Rao on his 70th birthday An erratum to this article is available at .