We describe a Continuous Hugoniot Method for the efficient simulation of shock wave fronts. This approach achieves a significantly improved efficiency in the generation of individual steady-state shock front states, and allows for the study of shocks as a function of a continuous shock strength parameter, vp. This is, to our knowledge, the first attempt to map the Hugoniot continuously. We appl...

This paper presents a new method for smoothing haptic interaction with molecular force calculations that uses Lennard-Jones forcefield. The gradient of the forcefield is used unaltered when the distance between two atoms is greater than the sum of their van der Waals radii. However, when they are smaller, a hard-surface wall implemented using a spring model is used to repel two atoms. This elim...

A density functional study of the structure of a layer formed by chain molecules pinned to a solid surface is presented. The chains are modeled as freely joined spheres. Segments and all components interact via LennardJones (12–6) potential. The interactions of fluid molecules with the wall are described by the Lennard-Jones (9–3) potential. We analyze how different parameters of the model affe...

Molecular dynamics studies of Go models of proteins with the 10-12 contact potential and the bond and dihedral angle terms indicate statistical similarities to other Go models, e.g. with the Lennard-Jones contact potentials. The folding times depend on the protein size as power laws with the exponents depending on the native structural classes. There is no dependence of the folding times on the...

For investment decisions the development of market trends is very important. In this contribution we present our results concerning the influence of news on market trends. We processed the stock news delivered by the Wall Street Journal with two methods of text mining – Bayes classification and grammar-driven classification. We found some potentialities of Dow Jones trend prediction and present...

We present a study of the expected properties of the low redshift damped Ly-α absorber population determined from a sample of HI-selected galaxies in the local universe. We use measurements of the number density and HI cross-section of galaxies to show that the total HI cross-section at column densities sufficient to produce damped Ly-α absorption is consistent with no evolution of the absorber...

We consider general nanotubes of atoms in R3 where each atom interacts with all others through a two-body potential. When there are no exterior forces, a particular family of nanotubes is the set of perfect nanotubes at the equilibrium. When exterior forces are applied on the nanotube, we compare the nanotube to nanotubes of the previous family. This quantitative comparison is formulated in our...

A geometric description of the Lienard-Wiechert field of a single point charge is given. The dual of the Lienard-Wiechert field can be considered as the curvature in a bundle of 2-planes distributed smoothly over space-time. This geometric construction also accounts for the Teitelboim splitting of the total field into bound and radiative parts: The radiation field can be identified with the cur...

We investigate cut-eliminability and decidability for implicational sequent calculi with prime contraction. The prime contraction is a restricted version of the contraction rule in LJ (the rule does not permit the contraction of implication formulas). Decision problems for the implicational sequent calculi LBB′IW (the system for the logic BB′IW) and FLc→ (the implicational fragment of the full ...

For the metallic glass NigIB|9 the partial pair-distribution functions are determind up to 14Ä by a molecular dynamics simulation using effective Lennard-Jones potentials. The obtained pair-distribution functions are in good agreement with the measured ones. As the simulation was carried out at the thermodynamic conditions for a liquid, we conclude that the characteristic features of the struct...