相关论文: Statistical field theory for a multicomponent flui…
The present work proposes a theory of isotropic and homogeneous turbulence for incompressible fluids, which assumes that the turbulence is due to the bifurcations associated to the velocity field. The theory is formulated using a…
The description of chemical processes at the molecular level is often facilitated by use of reaction coordinates, or collective variables (CVs). The CV measures the progress of the reaction and allows the construction of profiles that track…
A variety of enhanced sampling methods predict multidimensional free energy landscapes associated with biological and other molecular processes as a function of a few selected collective variables (CVs). The accuracy of these methods is…
A field theoretic representation of the classical partition function is derived for a system composed of a mixture of anisotropic and isotropic mobile charges that interact {\sl via} long range Coulomb and short range nematic interactions.…
The problem of surface effects at a fluid boundary created by the force field of finite value is investigated. A classical simple fluid with a locally introduced field imitating a permeable solid is considered. The cases of micro- and…
This Perspective article provides an overview of some of our analytical approaches to the computation of the structural and thermodynamic properties of single-component and multicomponent hard-sphere fluids. For the structural properties,…
The theory of mesoscopic fluctuations is applied to inhomogeneous solids consisting of chaotically distributed regions with different crystalline structure. This approach makes it possible to describe statistical properties of such mixture…
We establish the gravity/fluid correspondence in the nonminimally coupled scalar-tensor theory of gravity. Imposing Petrov-like boundary conditions over the gravitational field, we find that, for a certain class of background metrics, the…
A new variational inference method, SPH-ParVI, based on smoothed particle hydrodynamics (SPH), is proposed for sampling partially known densities (e.g. up to a constant) or sampling using gradients. SPH-ParVI simulates the flow of a fluid…
Single component nonrelativistic dissipative fluids are treated independently of reference frames and flow-frames. First the basic fields and their balances, then the related thermodynamic relations and the entropy production are calculated…
Understanding kinetics and thermodynamics profile of biomolecules is necessary to understand their functional roles which has a major impact in mechanism driven drug discovery. Molecular dynamics simulation has been routinely used to…
Mixing by incompressible flows is a ubiquitous yet incompletely understood phenomenon in fluid dynamics. While previous studies have focused on optimal mixing rates, the question of its genericity, i.e., whether mixing occurs for typical…
This paper proposes a novel approach to the statistical characterization of non-central complex Gaussian quadratic forms (CGQFs). Its key strategy is the generation of an auxiliary random variable (RV) that converges in distribution to the…
We develop a resummed thermodynamic perturbation theory for bond cooperativity in associating fluids by extension of Wertheim's multi - density formalism. We specifically consider the case of an associating hard sphere with two association…
In molecular dynamics simulations, rare events, such as protein folding, are typically studied using enhanced sampling techniques, most of which are based on the definition of a collective variable (CV) along which acceleration occurs.…
A field theory is built for self-similar statistical systems with both generating functional being the Mellin transform of the Tsallis exponential and generator of the scale transformation that is reduced to the Jackson derivative. With…
A multiscale theory of interacting continuum mechanics and thermodynamics of mixtures of fluids, electrodynamics, polarization and magnetization is proposed. The mechanical (reversible) part of the theory is constructed in a purely…
We investigate the hydrodynamic properties of a fluid simulated with a mesoscopic solvent model. Two distinct regimes are identified, the `particle regime' in which the dynamics is gas-like, and the `collective regime' where the dynamics is…
The self-consistent field theory (SCFT) is a powerful framework for the study of the phase behavior and structural properties of many-body systems. In particular, polymeric SCFT has been successfully applied to inhomogeneous polymeric…
Cooperativity effects have been proposed to explain the non-local rheology in the dynamics of soft jammed systems. Based on the analysis of the free-energy model proposed by L. Bocquet, A. Colin \& A. Ajdari ({\em Phys. Rev. Lett.} {\bf…