Related papers: Probabilistic Model to Treat Flexibility in Molecu…
Numerical simulations are used to determine the influence of the non-local and local interactions on the intermittency corrections in the scaling properties of 3D turbulence. We show that neglect of local interactions leads to an enhanced…
Recently, it became possible to experimentally generate and characterize a very thin silica system on a substrate which can be basically described as a 2D random network. The key structural properties, in particular related to the ring…
This paper presents a qualitative explanation for the hollowness effect based on the inelastic overlap function, claiming this result is a consequence of fundamental thermodynamic processes. Using the Tsallis entropy, one identifies the…
We present a nonlocal formulation of contact mechanics that accounts for the interplay of deformations due to multiple contact forces acting on a single particle. The analytical formulation considers the effects of nonlocal mesoscopic…
Molecular dynamics (MD) simulation, which is considered an important tool for studying physical and chemical processes at the atomic scale, requires accurate calculations of energies and forces. Although reliable energies and forces can be…
We consider mechanically generated molecular braids composed of two molecules where long range interactions between them can be considered to be very weak. We describe a model that takes account of the thermal fluctuations of the braid,…
Consider a system of N identical hard spherical particles moving in a d-dimensional box and undergoing elastic, possibly multi-particle, collisions. We develop a new algorithm that recovers the pre-collision state from the post-collision…
The extraction of inhomogeneous 3-dimensional densities around tagged solutes from molecular simulations is known to have a very high computational cost because this is traditionally performed by collecting histograms, with each discrete…
Nonlocal coordinate space optical potentials for the scattering of 65 MeV protons from nuclei ranging in mass from 6Li to 238U have been defined by folding a complex, medium dependent effective interaction with the density matrix elements…
The elastic response is studied of a single flexible chain grafted on a rigid plane and an ensemble of non-interacting tethered chains. It is demonstrated that the entropic theory of rubber elasticity leads to conclusions that disagree with…
Pedestrian groups are commonly found in crowds but research on their social aspects is comparatively lacking. To fill that void in literature, we study the dynamics of collision avoidance between pedestrian groups (in particular dyads) and…
Due to its non-crystalline nature, the glassy state has remained one the most exciting scientific challenges. To study such materials, Molecular Dynamics (MD) simulations have been extensively used because they provide a direct view into…
The method of calculating the free energy and thermodynamic characteristics of the classical n-vector three-dimensional (3D) magnetic model at the microscopic level without any adjustable parameters is proposed. Mathematical description is…
We address the problem of computing the thermodynamic properties of the repulsive one-dimensional two-component Fermi gas with contact interaction, also known as the Gaudin-Yang model. Using a specific lattice embedding and the quantum…
The efficiency of soft particles to stabilize emulsions is examined by measuring their desorption free energy, i.e., the mechanical work required to detach the particle from a fluid interface. Here, we consider rubber-like elastic as well…
This article presents computationally efficient algorithms for modeling two special cases of rigid contact---contact with only viscous friction and contact without slip---that have particularly useful applications in robotic locomotion and…
Traction force microscopy is a method widely used in biophysics and cell biology to determine forces that biological cells apply to their environment. In the experiment, the cells adhere to a soft elastic substrate, which is then deformed…
We present a newly developed approach for the calculation of interfacial stiffness and contact area evolution between two rough bodies exhibiting self affine surface structures. Using spline assisted discretization to define localised…
Contact mechanics-based models for the friction of nominally flat rough surfaces have not been able to adequately capture certain key experimentally observed phenomenona, such as the transition from a static friction peak to a lower level…
We study the plasmon mass scale in weakly coupled strongly interacting nonabelian gauge theory in a two dimensional configuration that mimics the boost invariant initial color fields in a heavy ion collision. We numerically measure the…