Related papers: Custom Flow in Molecular Dynamics
We showed that various expressions of stress in different models of fluids and in different forms of applying Newton's Second Law can be chosen, however there is always one Newton's Second Law which restricts and provides flexibility in…
Motivated by a number of recent experimental and computational studies of the dynamics of fluids plunged in quenched-disordered external fields, we report on a theoretical investigation of this topic within the framework of the…
We introduce a variational algorithm to estimate the likelihood of a rare event within a nonequilibrium molecular dynamics simulation through the evaluation of an optimal control force. Optimization of a control force within a chosen basis…
Consider the flow of a thin layer of non-Newtonian fluid over a solid surface. I model the case of a viscosity that depends nonlinearly on the shear-rate; power law fluids are an important example, but the analysis here is for general…
Understanding the organization of collective motion in biological systems is an ongoing challenge. In this Paper we consider a minimal model of self-propelled particles with variable speed. Inspired by experimental data from schooling fish,…
Natural phenomena frequently involve a very large number of interacting molecules moving in confined regions of space. Cellular transport by motor proteins is an example of such collective behavior. We derive a deterministic compartmental…
The authors present a study of the non equilibrium statistical properties of a one dimensional hard-rod fluid dissipating energy via inelastic collisions and subject to the action of a Gaussian heat bath, simulating an external driving…
Modeling stochastic dynamics from discrete observations is a key interdisciplinary challenge. Existing methods often fail to estimate the continuous evolution of probability densities from trajectories or face the curse of dimensionality.…
A flowing pair of particles in inertial microfluidics gives important insights into understanding and controlling the collective dynamics of particles like cells or droplets in microfluidic devices. They are applied in medical cell analysis…
A continuum model for self-organized dynamics is numerically investigated. The model describes systems of particles subject to alignment interaction and short-range repulsion. It consists of a non-conservative hyperbolic system for the…
When monitoring the dynamics of stochastic systems, such as interacting particles agitated by thermal noise, disentangling deterministic forces from Brownian motion is challenging. Indeed, we show that there is an information-theoretic…
Self-propulsion allows living systems to display unusual collective behavior. Unlike passive systems in thermal equilibrium, active matter systems are not constrained by conventional thermodynamic laws. A question arises however as to what…
Although inertial particle-laden flows occur in a wide range of industrial and natural processes, there is both a lack of fundamental understanding of these flows and continuum-level governing equations needed to predict transport and…
The paper presents numerical methods for unsteady flows of a viscous incompressible fluid in internal domains with many inlet/outlet sections. The novel variants of dissipative boundary conditions augmented by the inertia terms are used at…
Most computer simulations of molecular dynamics take place under equilibrium conditions--in a closed, isolated system, or perhaps one held at constant temperature or pressure. Sometimes, extra tensions, shears, or temperature gradients are…
We present a framework for constructing physics and causally constrained neural models of turbulent dynamical systems from data. We first formulate a finite-time flow map with strict energy-preserving nonlinearities for stable modeling of…
In the context of a nonequilibrium statistical thermodynamics, based on a nonequilibrium statistical ensemble formalism, a generalized hydrodynamics of fluids under driven flow and shear stress is derived. At the thermodynamic level, the…
Flow networks can describe many natural and artificial systems. We present a model for a flow system that allows for volume accumulation, includes conduits with a non-linear relation between current and pressure difference, and can be…
Particle flow processing is widely employed across various industrial applications and technologies. Due to the complex interactions between particles and fluids, designing effective devices for particle flow processing is challenging. In…
In this note we analyze a model for a unidirectional unsteady flow of a viscous incompressible fluid with time dependent viscosity. A possible way to take into account such behaviour is to introduce a memory formalism, including thus the…