相关论文: Analysis of structural correlations in a model bin…
Considerations of local atomic level stresses associated with each atom represent a particular approach to address structures of disordered materials at the atomic level. We studied structural correlations in a two-dimensional model liquid…
We studied the connection between the structural relaxation and viscosity for a binary model of repulsive particles in the supercooled liquid regime. The used approach is based on the decomposition of the macroscopic Green-Kubo stress…
In order to get insight into the connection between the vibrational dynamics and the atomic level Green-Kubo stress correlation function in liquids we consider this connection in a model crystal instead. Of course, vibrational dynamics in…
Recently there have been several considerations by different authors of viscosity and the Green-Kubo stress correlation function from the microscopic perspective. In most of these and earlier works the atomic level stress is the minimal…
Simulation studies of the atomic shear stress in the local potential energy minima (inherent structures) are reported for binary liquid mixtures in 2D and 3D. These inherent structure stresses are fundamental to slow stress relaxation and…
We report on a further investigation of a new method that can be used to address vibrational dynamics and propagation of stress waves in liquids. The method is based on the decomposition of the macroscopic Green-Kubo stress correlation…
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…
We study the electronic structure of small lithium clusters Li_n (n=2-8) using the electronic stress tensor. We find that the three eigenvalues of the electronic stress tensor of the Li clusters are negative and degenerate, just like the…
In order to understand whether internal stresses in glasses are correlated or randomly distributed, we study the organization of atomic bond tensions (normal forces between pairs of atoms). Measurements of the invariants of the atomic bond…
We analyze the friction force exerted on a small probe particle sliding over an atomic-scale surface by means of a Green-Kubo relation and classical Molecular Dynamics simulations. We find that, on the atomic scale, the friction tensor can…
By combining confocal microscopy and Stress Assessment from Local Structural Anisotropy (SALSA), we directly measure stresses in 3D quiescent colloidal liquids. Our non-invasive and non-perturbative method allows us to measure forces…
Atomistic deformation simulations in the nominally elastic regime are performed for a model binary glass with strain rates as low as $10^{4}$/sec (corresponding to 0.01 shear strain per 1$\mu$sec). A robust elasticity is revealed that…
We study multicomponent liquids by increasing the mass of $15\%$ of the particles in a binary Kob-Andersen model. We find that the heavy particles have dual effects on the lighter particles. At higher temperatures, there is a significant…
We study in this article multiplicities of eigenvalues of tensors. There are two natural multiplicities associated to an eigenvalue $\lambda$ of a tensor: algebraic multiplicity $\operatorname{am}(\lambda)$ and geometric multiplicity…
Stress tensors are derived for the multiparticle collision dynamics algorithm, a particle-based mesoscale simulation method for fluctuating fluids, resembling those of atomistic or molecular systems. Systems with periodic boundary…
We have studied the shear and bulk viscosities of asymmetric nuclear matter in the mechanical and chemical instability region based on IBUU transport simulations in a box system. The Green-Kubo method is used to calculate these viscosities…
We determine the nonlocal stress autocorrelation tensor in an homogeneous and isotropic system of interacting Brownian particles starting from the Smoluchowski equation of the configurational probability density. In order to relate stresses…
A structural transformation in water upon compression was recently observed at the temperature $T=277$~K in the vicinity of the pressure $p \approx 2\;000$~Atm [R.M. Khusnutdinoff, A.V. Mokshin, J. Non-Cryst. Solids \textbf{357}, 1677…
Atomic correlations in a simple liquid in steady-state flow under shear stress were studied by molecular dynamics simulation. The local atomic level strain was determined through the anisotropic pair-density function (PDF). The atomic level…
Most atomic nuclei are deformed with a quadrupole shape described by its overall strength $\beta_2$ and triaxiality $\gamma$. The deformation can be accessed in high-energy heavy-ion collisions by measuring the collective flow response of…