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We derive and validate a partition function for low-dimensional systems interacting with a heat bath, addressing the general issue of thermodynamic modeling of nanoscale systems. In contrast to bulk systems in the canonical (NVT) ensemble…
First, a meshless simulation method is presented for multiphase fluid-particle flows with a two-way coupled Smoothed Particle Hydrodynamics (SPH) for the fluid and the Discrete Element Method (DEM) for the solid phase. The unresolved fluid…
A computationally accurate and efficient numerical method under a unified framework is crucial to various multi-scale scientific and engineering problems. So far, many numerical methods have encountered various challenges in efficiently…
We are concerned with the simulation and optimization of large-scale gas pipeline systems in an error-controlled environment. The gas flow dynamics is locally approximated by sufficiently accurate physical models taken from a hierarchy of…
This paper is concerned with the partitioned iterative formulation to simulate the fluid-structure interaction of a nonlinear multibody system in an incompressible turbulent flow. The proposed formulation relies on a three-dimensional (3D)…
We develop and fully characterize a meshfree Lagrangian (particle) model for continuum-based numerical modeling of dry and submerged granular flows. The multiphase system of the granular material and the ambient fluid is treated as a…
This article presents a multi-physics methodology for the numerical simulation of physical systems that involve the non-linear interaction of multi-phase reactive fluids and elastoplastic solids, inducing high strain-rates and high…
This paper presents a novel methodology for the direct numerical modeling and simulation of turbulent flows. The kinetic model equation is firstly extended to turbulent flow with the account of coupled evolution of kinetic, thermal, and…
We study the time-dependent flow behavior of gravity-driven free surface granular flows using the discrete element method and continuum modeling. Discrete element method (DEM) simulations of slightly polydisperse disks flowing over a…
This paper presents a geometric variational discretization of compressible fluid dynamics. The numerical scheme is obtained by discretizing, in a structure preserving way, the Lie group formulation of fluid dynamics on diffeomorphism groups…
A numerical framework is developed to model contrail formation in the near-field exhaust of aircraft engines, resolving non-equilibrium phase transitions in compressible, multi-component, non-ideal fluid flows. The approach combines…
The Gas-Kinetic Scheme (GKS), widely used in computational fluid dynamics for simulating hypersonic and other complicated flow phenomena, is extended in this work to electromagnetic problems by solving Maxwell's equations. In contrast to…
Simulation of multiphase flow in porous media is crucial for the effective management of subsurface energy and environment related activities. The numerical simulators used for modeling such processes rely on spatial and temporal…
Problems of interest in hydrogeology and hydrocarbon resources involve complex heterogeneous geological formations. Such domains are most accurately represented in reservoir simulations by unstructured computational grids. Finite element…
We formulate a nonlinear optimal control problem for intra-day operation of a natural gas pipeline network that includes storage reservoirs. The dynamics of compressible gas flow through pipes, compressors, reservoirs, and wells are…
In this paper, a three-dimensional numerical solver is developed for suspensions of rigid and soft particles and droplets in viscoelastic and elastoviscoplastic (EVP) fluids. The presented algorithm is designed to allow for the first time…
Numerical simulations of compressible real-fluid flows are notoriously plagued by spurious pressure oscillations arising in regions of abrupt flow variations. As a possible remedy, several numerical formulations enforce the pressure…
The evolution to the steady state of a granular gas subject to simple shear flow is analyzed by means of computer simulations. It is found that, regardless of its initial preparation, the system reaches (after a transient period lasting a…
We discuss the applicability of a unified hyperbolic model for continuum fluid and solid mechanics to modeling non-Newtonian flows and in particular to modeling the stress-driven solid-fluid transformations in flows of viscoplastic fluids,…
This paper presents an implicit method for the discrete unified gas-kinetic scheme (DUGKS) to speed up the simulations of the steady flows in all flow regimes. The DUGKS is a multi-scale scheme finite volume method (FVM) for all flow…