相关论文: Coarse-grained local available potential energy
We present a ``coarse molecular dynamics'' approach and apply it to studying the kinetics and thermodynamics of a peptide fragment dissolved in water. Short bursts of appropriately initialized simulations are used to infer the deterministic…
We coarse-grain a model of closely-packed ellipses that can vary their aspect ratio to derive continuum equations for materials comprising confluent deformable particles such as epithelial cell layers. We show that contractile nearest…
Atmospheric rivers (ARs) often cause damaging winds, rainfall, and floods. However, the physical mechanisms governing their evolution remain poorly understood. To close this gap, we perform a global Vapor Kinetic Energy (VKE) budget…
We use a coarse-graining approach to prove that inter-scale transfer of kinetic energy in compressible turbulence is dominated by local interactions. Locality here means that interactions between disparate scales decay at least as fast as a…
Modelling micro- and meso-scopic scale thermodynamic and transport properties of soft condensed matter hinges upon its representation. This is especially relevant for polar solvents such as water, since these require effective…
In many far-from-equilibrium biological systems, energy injected by irreversible processes at microscopic scales propagates to larger scales to fulfill important biological functions. But given dissipative dynamics at the microscale, how…
We poorly understand the macroscopic properties of complex fluids and of amorphous bodies in general. This is mainly due to the interplay between phenomena at different levels and length-scales. In particular, it is not necessarily true…
A multi-layer model of an energy length function is developed by employing recent results of the authors. The theory predicts the complete, mean streamwise turbulent kinetic-energy profile (MKP), in good agreement with empirical data for a…
Gravity-driven thick granular flows are relevant to many industrial and geophysical processes. In particular, it is important to know and understand the particle velocity distributions as we get deeper into the flow from the free surface.…
We derive the coarse-graining (CG) equations of incompressible Hall Magnetohydrodynamics (HMHD) turbulence to investigate the {\it local (in space)} energy cascade rate as a function of the filtering scale $\ell$. First, the CG equations…
Energy transfer in turbulent flows is typically described either through correlation functions, via the K\'arm\'an-Howarth-Monin relation, or through a scale-by-scale budget of filtered energy (Frisch 1995). For constant-density turbulence,…
Microstructural changes in solids, driven by energy flows, do not develop in a static continuous space, such as the space considered in conventional plasticity models. The applied forces create an evolving internal energy landscape, which…
Two common definitions of the spatially local rate of kinetic energy cascade at some scale $\ell$ in turbulent flows are (i) the cubic velocity difference term appearing in the generalized Kolmogorov-Hill equation (GKHE) (structure function…
We analyze analytically and numerically the scale invariant stationary solution to the internal wave kinetic equation. Our analysis of the resonant energy transfers shows that the leading order contributions are given (i) by triads with…
Aqueous two-phase systems (ATPSs), that is, phase-separating solutions of water soluble but mutually immiscible molecular species, offer fascinating prospects for selective partitioning, purification, and extraction. Here, we formulate a…
We investigate the effect of coarse-graining on the energetics properties of a system, focusing on entropy production. As a case of study, we consider a one-dimensional colloidal particle in contact with a thermal bath, moving in a…
To study materials phenomena simultaneously at various length scales, descriptions in which matter can be coarse grained to arbitrary levels, are necessary. Attempts to do this in the static regime (i.e. zero temperature) have already been…
We discuss the role coarse-grained models play in the investigation of the structure and thermodynamics of bilayer membranes, and we place them in the context of alternative approaches. Because they reduce the degrees of freedom and employ…
We have proposed an efficient parameterization method for a recent variant of the Gay-Berne potential for dissimilar and biaxial particles and demonstrated it for a set of small organic molecules. Compared to the previously proposed…
We focus on finding a coarse grained description able to reproduce the thermodynamic behavior of a molecular system by using mesoparticles representing several molecules. Interactions between mesoparticles are modelled by an interparticle…