Ground state study of simple atoms within a nano-scale box

Ground state energies for confined hydrogen (H) and helium (He) atoms, inside a penetrable/impenetrable compartment have been calculated using Diffusion Monte Carlo (DMC) method. Specifically, we have investigated spherical and ellipsoidal encompassing compartments of a few nanometer size. The potential is held fixed at a constant value on the surface of the compartment and beyond. The dependence of ground state energy on the geometrical characteristics of the compartment as well as the potential value on its surface has been thoroughly explored. In addition, we have investigated the cases where the nucleus location is off the geometrical centre of the compartment.Comment: 9 pages, 5 eps figures, Revte

Temporal and structural characteristics of a two-dimensional gas of hard needles

We have simulated the dynamics of a 2D gas of hard needles by event-oriented molecular dynamics. Various quantities namely translational and rotational diffusion constants and intermediate self-scattering function have been explored and their dependence on density is obtained. Despite absence of positional ordering, the rotational degree of freedom behaves nontrivially. Slowing down is observed in the angular part of the motion. It is shown that above a certain density the rotational mean-square displacement exhibits a three-stage regime including a plateau

Dilemma game in a cellular automaton model with a non-signalized intersection

We numerically study traffic flow, energy dissipation and social payoff in the Nagel-Schreckenberg model with a non-signalized intersection. In terms of game theory, we analyze dilemma game observed in some traffic states. There are four traffic phases: free-flow phase, phase-segregated 1, phase-segregated 2 and jammed phase in the case of vmax > 1. In phase-segregated 1, maximum traffic flow corresponds to minimal energy dissipation. Dilemma game is observed at the phase-segregated 1 in the case of vmax > 1, and phase segregation state when vmax = 1. Theoretical analyses give an agreement with numerical results