Computational Physics with Particles – Nonequilibrium Molecular Dynamics and Smooth Particle Applied Mechanics

Institute for Mathematical Physics Computer Simulation of Irreversible Expansions via Molecular Dynamics, Smooth Particle Applied Mechanics, Eulerian, and Lagrangian Continuum Mechanics Computer Simulation of Irreversible Expansions via Molecular Dynamics, Smooth Particle Applied Mechanics, Eulerian, and Lagrangian Continuum Mechanics

We simulate the far-from-equilibrium irreversible expansion of a compressed ideal gas in two space dimensions. For this problem the particle trajectories from conventional Smooth Particle Applied Mechanics are isomorphic to those from a corresponding molecular dynamics simulation. The smooth-particle \weight function", used to describe the expanding gas, is identical to the pair potential gover...

molecular dynamics: the computational molecular microscope

advanced technologies in molecular biology and modern experimental biophysics heavily rely not only on the knowledge of structure of essential proteins but also on their structural dynamics. the function of these bimolecular systems and the pathways along which the biological phenomena take place can be determined based on the knowledge of the molecular structure and behavior. as such, the simp...

Liquid drops and surface tension with smoothed particle applied mechanics

Smoothed particle applied mechanics (SPAM), also referred to as smoothed particle hydrodynamics, is a Lagrangian particle method for the simulation of continuous flows. Here we apply it to the formation of a liquid drop, surrounded by its vapor, for a van der Waals (vdW) fluid in two dimensions. The cohesive pressure of the vdW equation of state gives rise to an attractive, central force betwee...

Nonequilibrium statistical mechanics of swarms of driven particles

As a rough model for the collective motions of cells and organisms we develop here the statistical mechanics of swarms of self-propelled particles. Our approach is closely related to the recently developed theory of active Brownian motion and the theory of canonicaldissipative systems. Free motion and motion of a swarms confined in an external field is studied. Briefly the case of particles con...

Doing Physics with Matlab Quantum Mechanics Wave Particle Dualitiy