Related papers: Conformational isomerization dynamics in solvent v…
Non-equilibrium molecular dynamics simulations, of crucial importance in sliding friction, are hampered by arbitrariness and uncertainties in the removal of the frictionally generated Joule heat. Building upon general pre-existing…
By simulating the first order globule-crystal transition of a flexible homopolymer chain, both by collision dynamics and Monte Carlo with non-kinetic moves, we show that the effective and the thermodynamic transition temperatures are…
We study the behavior of a flexible polymer chain in the presence of a low-molecular weight solvent in the vicinity of a liquid-gas critical point within the framework of a self-consistent field theory. The total free energy of the dilute…
Nonequilibrium molecular dynamics simulations are used to study the shear thinning behavior of immiscible symmetric polymer blends. The phase separated polymers are subjected to a simple shear flow imposed by moving a wall parallel to the…
The influence of viscosity on the flow behaviour in spherically symmetric accretion, has been studied here. The governing equation chosen has been the Navier-Stokes equation. It has been found that at least for the transonic solution,…
When fluid is confined between two molecularly smooth surfaces to a few molecular diameters, it shows a large enhancement of its viscosity. From experiments it seems clear that the fluid is squeezed out layer by layer. A simple solution of…
Isoscaling is found to hold for fragment yields in the antisymmetrized molecular dynamics (AMD) simulations for collisions of calcium isotopes at 35 MeV/nucleon. This suggests the applicability of statistical considerations to the dynamical…
We perform extensive molecular dynamics simulations of dense liquids composed of bidisperse dimer- and ellipse-shaped particles in 2D that interact via repulsive contact forces. We measure the structural relaxation times obtained from the…
Generalizing the mode-coupling theory for ideal liquid-glass transitions, equations of motion are derived for the correlation functions describing the glassy dynamics of a diatomic probe molecule immersed in a simple glass-forming system.…
Molecular Dynamics simulations of high density hard sphere fluids clearly show a breakdown of the Stokes-Einstein equation (SE). This result has been conjectured to be due to the presence of mobile particles, i.e., ones which have the…
We present an implicit, fully-coupled hydro-mechanical solver for the three dimensional simulation of fluid-driven rupture propagation along existing discontinuities. The solver handles simultaneously frictional slip (shear failure) and…
The interdiffusion of a solvent into a polymer melt has been studied using large scale molecular dynamics and Monte Carlo simulation techniques. The solvent concentration profile and weight gain by the polymer have been measured as a…
We numerically investigate the dynamics and linear rheology of disordered systems made of patchy particles, focussing on the role of valence, temperature and bonding mechanism. We demonstrate that the dynamics is enslaved to bonding, giving…
Contacts between particles in dense, sheared suspensions are believed to underpin much of their rheology. Roughness and adhesion are known to constrain the relative motion of particles, and thus globally affect the shear response, but an…
In the present article we carry out a molecular dynamics study of the core-softened system and show that the existence of the water-like anomalies in this system depends on the trajectory in $P-\rho-T$ space along which the behavior of the…
This paper is part of a study of the frictional dynamics of a confined solid lubricant film - modelled as a one-dimensional chain of interacting particles confined between two ideally incommensurate substrates, one of which is driven…
We investigate how anisotropic molecular rotation and internal molecular flexibility influence liquid dynamics in 1-phenylalkanes. To this end, we combine depolarized dynamic light scattering, nuclear magnetic resonance spectroscopy and…
Kinetics of collision-sticking processes between vapor molecules and molecular clusters of low volatile compounds facilitates the initial steps of atmospheric clustering. Conventional theoretical models are quite inaccurate due to the…
Frictional properties of contacts between a smooth viscoelastic rubber and rigid surfaces are investigated using a torsional contact configuration where a glass lens is continuously rotated on the rubber surface. From the inversion of the…
We investigate the diffusion of an intruder in a granular gas, with both components modeled as smooth hard spheres, both immersed in a low viscosity carrier fluid to form a particle-laden suspension. In this system, dissipative particle…