相关论文: Lattice Resistance to Dislocation Motion at the Na…
Here using LAMMPS molecular dynamics (MD) software, we simulate polymer translocation in 2 dimensions. We do the simulations for weak and moderate forces and for different pore diameters. Our results show that in both non-equilibrium and…
We describe benchmark experiments to evaluate the frictional properties of laser patterned low-density polyethylene as a function of sliding velocity, normal force and humidity. The pattern is a square lattice of square cavities with sub-mm…
The translocation of a polymer through a pore in a membrane separating fluids of different viscosities is studied via several computational approaches. Starting with the polymer halfway, we find that as a viscosity difference across the…
Recent experiments have shown that spatial dispersion may have a conspicuous impact on the response of plasmonic structures. This suggests that in some cases the Drude model should be replaced by more advanced descriptions that take spatial…
To study the nanoscopic interaction between edge dislocations and a phase boundary within a two-phase microstructure the effect of the phase contrast on the internal stress field due to the dislocations needs to be taken into account. For…
The steady state motion of cylindrical droplets under the action of external body force is investigated both theoretically and via lattice Boltzmann simulation. As long as the shape-invariance of droplet is maintained, the droplet's…
We employ a multiscale approach to model the translocation of biopolymers through nanometer size pores. Our computational scheme combines microscopic Langevin molecular dynamics (MD) with a mesoscopic lattice Boltzmann (LB) method for the…
Confining glassy polymer into films can substantially modify their local and film-averaged properties. We present a lattice model of film geometry with void-mediated facilitation behaviors but free from any elasticity effect. We analyze the…
Transport phenomena involving condensate liquids generated from the phase change heat transfer in microchannels and in engineered superhydrophobic surfaces require consideration of slip effects. In this study, the laminar film condensation…
Dislocations, as topological defects in crystal lattices, are fundamental to understanding plasticity in materials. Similar periodic structures also arise in continuum field theories, such as chiral soliton lattices (CSLs), which appear in…
Equations for dislocation evolution bridge the gap between dislocation properties and continuum descriptions of plastic behavior of crystalline materials. Computer simulations can help us verify these evolution equations and find their…
The impact of twin boundaries (TBs) on the microstructure evolution and plastic deformation mechanisms of face-centered cubic (FCC) metals has been extensively studied since the discovery that nanotwinned materials exhibit a favorable…
Plastic deformation In crystalline materials is controlled by the motion and interactions of dislocations [AND 17]. Discrete Dislocation Dynamics (DDD) simulations have now existed for about 25 years to investigate plastic flow at the…
Nanodroplets residing near wedges or edges of solid substrates exhibit a disjoining pressure induced dynamics. Our nanoscale hydrodynamic calculations reveal that non-volatile droplets are attracted or repelled from edges or wedges…
Large-scale atomistic calculations, using empirical potentials for modeling semiconductors, have been performed on a stressed system with linear surface defects like steps. Although the elastic limits of systems with surface defects remain…
Large-scale molecular dynamics simulations are used to simulate a layer of nanoparticles diffusing on the surface of a liquid. Both a low viscosity liquid, represented by Lennard-Jones monomers, and a high viscosity liquid, represented by…
The detailed nature of spatially heterogeneous dynamics of glycerol-silica nanocomposites is unraveled by combining dielectric spectroscopy with atomistic simulation and statistical mechanical theory. Analysis of the spatial mobility…
We present a procedure to map the constitutive laws of elasticity (both in the linear and nonlinear regime) onto a discrete atomic lattice and we apply the resulting elastic lattice model to investigate the strain field within an embedded…
We analyze a mathematical model of elastic dislocations with applications to geophysics, where by an elastic dislocation we mean an open, oriented Lipschitz surface in the interior of an elastic solid, across which there is a discontinuity…
Dislocation jogs have strong effects on dislocation motion that governs the strain-hardening behavior of crystalline solids, but how to properly account for their effect in mesoscale models remains poorly understood. We develop a mobility…