Related papers: Green-Kubo stress correlation function at the atom…
We study the friction coefficient of a macroscopic sphere in a viscous fluid at low Reynolds number. First, Kirkwood's formula for the friction coefficient is reviewed on the basis of the Hamiltonian description of particle systems.…
In this paper, we propose a robust low-order stabilization-free virtual element method on quadrilateral meshes for linear elasticity that is based on the stress-hybrid principle. We refer to this approach as the Stress-Hybrid Virtual…
Theory and simulation of Brownian colloids suspended in an implicit solvent, with the hydrodynamics of the fluid accounted for by effective interactions between the colloids, are shown to yield a marked and hitherto unobserved discrepancy…
The mean stress tensor is essential to investigate the dynamics of granular material. In this paper, we use Hamilton's principle of least action to derive the averaged stress tensor of discrete granular assemblies subjected to hydraulic…
The eigenvectors of the electronic stress tensor have been identified as useful for the prediction of chemical reactivity because they determine the most preferred directions to move the bonds that correspond to a qualitative change in the…
Consistently atomistic understanding of the mechanism behind the intriguing behavior of low-dimensional systems including monatomic chains, hollow tubes, surface skins, nanocavities, nanowires, and nanograins has long been a high challenge.…
The two point correlation function of the stress-energy-momentum tensor describes the propagation of a space-time "micro-earthquake" in the vacuum. In the framework of the path integral formulation of field theory in curved space-time, we…
Several advances in the theory of space-resolved viscoelasticity of liquids and other amorphous systems are discussed in the present paper. In particular, considering long-time regimes of stress relaxation in liquids we obtain the…
The chemical bond is an important local concept to understand chemical compounds and processes. Unfortunately, like most local concepts, the chemical bond and the bond order do not correspond to any physical observable and thus cannot be…
Correlation functions of components of second-order tensor fields in isotropic systems can be reduced to an isotropic forth-order tensor field characterized by a few invariant correlation functions (ICFs). It is emphasized that components…
Motivated by the structure of networks of cross-linked cytoskeletal biopolymers, we study the orientationally ordered phases in two-dimensional networks of randomly cross-linked semiflexible polymers. We consider permanent cross-links which…
We perform molecular dynamics simulations under uniaxial tension to investigate the micromechanisms underlying strain hardening in glassy polymers. By decomposing the stress into virial components associated with pair, bond, and angle…
A recently introduced particle-based model for fluid dynamics with effective excluded volume interactions is analyzed in detail. The interactions are modeled by means of stochastic multiparticle collisions which are biased and depend on…
Local stresses and pressures always exist in glasses. In this letter we consider their effects on the structure and structural correlations in simple glasses. We find that extreme values of local pressures are related to well defined local…
This paper presents a proposal of a rather new type of effective interatomic interaction for molecular dynamics and similar applications. The model consists of atoms with prescribed geometric arrangement of active orbitals, represented by…
A thermodynamic measure of the fragility of liquids has recently (Ito et al ref.1) been defined in terms of the temperature dependence of the excess entropy of liquid over crystal, scaled by the excess entropy at the glass transition…
The purpose of this study is to provide a reproducible framework in the use of the Green-Kubo formalism to extract transport coefficients. More specifically, in the case of shear viscosity, we investigate the limitations and technical…
Plastic deformation of crystalline and amorphous matter often involves intermittent local strain burst events. To understand the physical background of the phenomenon a minimal stochastic mesoscopic model was introduced, where…
We introduce models for viscoelastic materials, both solids and fluids, based on logarithmic stresses to capture the elastic contribution to the material response. The matrix logarithm allows to link the measures of strain, that naturally…
A new approach to chemical bonding is introduced in order to provide an improved understanding of the connection between basic quantum mechanics and the covalent pair bond. It's focus is on the fact that the energy of the bond is largely…