相关论文: Green-Kubo stress correlation function at the atom…
During quasi-static dynamics of granular systems, the stress and structure self-organise, but there is currently no quantitative measure or understanding of this phenomenon. Such an understanding is essential because local structural…
We provide a method for calculating time-averaged stress fluctuations on surfaces in a viscous incompressible fluid at equilibrium. We assume that (i) the time-averaged fluctuating stress is balanced in equilibrium at each position and that…
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…
Active fluids, which are driven at the microscale by non-conservative forces, are known to exhibit novel transport phenomena due to the breaking of time reversal symmetry. Recently, Epstein and Mandadapu [arXiv:1907.10041] obtained…
We develop an exact Green-Kubo formula relating nonequilibrium averages in systems of interacting active Brownian particles to equilibrium time-correlation functions. The method is applied to calculate the density-dependent average swim…
We derive exact results for stress correlations in near-crystalline systems in two and three dimensions. We study energy minimized configurations of particles interacting through Harmonic as well as Lennard-Jones potentials, for varying…
For a quantum system in a steady state with a constant current of heat or particles driven by a temperature or chemical potential difference between two reservoirs attached to the system, the fluctuation theorem for the current was…
We perform equilibrium Langevin dynamics simulations to understand the structure-viscoelasticity relationship of a dually crosslinked reversible polymer network. The cross-linking is achieved by introducing orthogonal crosslinkers (A and B)…
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 derive the stress tensor of a rigid dumbbell by using the virtual work method. In the virtual work method, we virtually apply a small deformation to the system, and relate the change of the energy to the work done by the stress tensor. A…
We investigate the Green function of two-dimensional dense random packings of grains in order to discriminate between the different theories of stress transmission in granular materials. Our computer simulations allow for a detailed…
The transport coefficients for a gas of smooth, inelastic hard spheres are obtained from the Boltzmann equation in the form of Green-Kubo relations. The associated time correlation functions are not simply those constructed from the fluxes…
We investigate the spatial correlations of microscopic stresses in soft particulate gels, using 2D and 3D numerical simulations. We use a recently developed theoretical framework predicting the analytical form of stress-stress correlations…
We present a generalization of the Green-Kubo expressions for thermal transport coefficients $\mu$ in complex fluids of the generic form, $\mu= \mu_\infty +\int^\infty_0 dt V^{-1} < J_\epsilon \exp(t {\cal L}) J >_0$, i.e. a sum of an…
We generalize the Green-Kubo approach, previously applied to bulk systems of spherically symmetric active particles [J. Chem. Phys. 145, 161101 (2016)], to include spatially inhomogeneous activity. The method is applied to predict the…
Stress-strain relations for random packings of entangling chains under triaxial compression can exhibit strain stiffening and sustain stresses several orders-of-magnitude beyond typical granular materials. X-ray tomography reveals the…
We analyze the electronic structure of molecules which may exist in gas phase of chemical vapor deposition process for GeSbTe alloy using the electronic stress tensor, with special focus on the chemical bonds between Ge, Sb and Te atoms. We…
We expand the Potts-percolation model of a solid to include stress and strain. Neighboring atoms are connected by bonds. We set the energy of a bond to be given by the Lennard-Jones potential. If the energy is larger than a threshold the…
We present a universal characterization of stress correlations in athermal systems, across crystalline to amorphous packings. Via numerical analysis of static configurations of particles interacting through harmonic as well as Lennard-Jones…
By equilibrating condensed DNA arrays against reservoirs of known osmotic stress and examining them with several structural probes, it has been possible to achieve a detailed thermodynamic and structural characterization of the change…