The authors present results from molecular dynamics simulations on the effect of smooth and rough probes on the dynamics of a supercooled Lennard-Jones (LJ) mixture. The probe diameter was systematically varied from one to seven times the diameter of the large particles of the LJ mixture. Mean square displacements show that in the presence of a large smooth probe the supercooled liquid speeds u...

We identify the temperature being measured by a thermometer in a nonequilibrium scenario by studying heat conduction in a three-dimensional Lennard-Jones (LJ) system whose two ends are kept at different temperatures. It is accomplished by modeling the thermometer particles also with the LJ potential but with added tethers to prevent their rigid body motion. These models of the system and the th...

We study the dynamics of particles in a multi-component 2d Lennard-Jones (LJ) fluid in the limiting case where all the particles are different (APD). The equilibrium properties of this APD system were studied in our earlier work [L. S. Shagolsem et al., J. Chem. Phys. 142, 051104 (2015).]. We use molecular dynamics simulations to investigate the statistical properties of particle trajectories i...

Various properties of vitrifying liquids are correlated with the dispersity of the dynamics, the latter reflected in the magnitude of the nonexponentiality parameter, β(K), describing the distribution of relaxation times. These properties include the mean relaxation time, τ(α), the fragility, and the dynamic crossover. The correlations with β(K) are observed in both experimental data and the re...

Report title: Design and Test of a Low Profile Gillnet to reduce Atlantic Sturgeon and Sea Turtle By-catch in Mid-Atlantic Monkfish Fishery Key project partners: Rick Usher, A.I.S. Inc. Pingguo He, UMass Dartmouth – SMAST Funding Agency: NOAA Fisheries NOAA Contract No.: EA133F-12-SE-2094 Recipient name: A.I.S. Inc. New Bedford, MA NOAA COR: Henry Milliken Report by: Pingguo He and Natalie Jone...

Linearly sloped or "ramp" potentials belong to a class of core-softened models which possess a liquid-liquid critical point (LLCP) in addition to the usual liquid-gas critical point. Furthermore, they exhibit thermodynamic anomalies in their density and compressibility, the nature of which may be akin to those occurring in water. Previous simulation studies of ramp potentials have focused on ju...

A treatment of multiscale quasistatic processes that combines an atomistic description of microscopic heterogeneous ("near") regions of a material with a coarse-grained (quasicontinuum) description of macroscopic homogeneous ("far") regions is presented. The hybrid description yields a reduced system consisting of the original atoms of the near regions plus pseudoatoms (nodes of the coarse-grai...

The validity of the principle of corresponding states is investigated for the case of a potential with more than one intrinsic length scale. The planar surface tension of coexisting liquid and vapor phases of a fluid of Lennard-Jones atoms is studied as a function of the range of the potential using both Monte Carlo simulations and density functional theory (DFT). The interaction range is varie...