Related papers: Synchronized molecular dynamics method for thin-la…
Solid-liquid friction plays a key role in nanofluidic systems. Yet, despite decades of method development to quantify solid-liquid friction using molecular dynamics (MD) simulations, an accurate and widely applicable method is still…
Molecular dynamics (MD) simulations of ions (K$^+$, Na$^+$, Ca$^{2+}$ and Cl$^-$) in aqueous solutions are investigated. Water is described using the SPC/E model. A stochastic coarse-grained description for ion behaviour is presented and…
We provide a basic method of Smoothed Particle Hydrodynamics (SPH) to simulate liquid droplet with surface tension in three dimensions. Liquid droplet is a simple case for surface tension modeling. Surface tension works only on fluid…
We present a sparse sensing framework based on Dynamic Mode Decomposition (DMD) to identify flow regimes and bifurcations in large-scale thermo-fluid systems. Motivated by real-time sensing and control of thermal-fluid flows in buildings…
This paper proposes a two-stage framework named ST-PAD for spatio-temporal fluid dynamics modeling in the field of earth sciences, aiming to achieve high-precision simulation and prediction of fluid dynamics through spatio-temporal physics…
Based on the analysis of a large number of high-fidelity nonlinear gyrokinetic simulations, we propose a novel strategy to improve confinement in spherical tokamak plasmas by combining up-down asymmetric flux surface shaping with the Low…
This paper investigates the problems large-scale distributed composite convex optimization, with motivations from a broad range of applications, including multi-agent systems, federated learning, smart grids, wireless sensor networks,…
Distribution Matching Distillation (DMD) distills score-based generative models into efficient one-step generators, without requiring a one-to-one correspondence with the sampling trajectories of their teachers. Yet, the limited capacity of…
We present in this work a new reconstruction scheme, so-called MUSCL-THINC-BVD scheme, to solve the five-equation model for interfacial two phase flows. This scheme employs the traditional shock capturing MUSCL (Monotone Upstream-centered…
We introduce a new heterogeneous multi-scale method for the simulation of flows of non-Newtonian fluids in general geometries and present its application to paradigmatic two-dimensional flows of polymeric fluids. Our method combines…
In the previous work, Zhang et al. proposed a multi-resolution smoothed particle hydrodynamics (SPH) method for fluid-structure interactions (FSI) with achieving an optimized computational efficiency meanwhile maintaining good numerical…
We employ a multi-phase smoothed particle hydrodynamics (SPH) method to study droplet dynamics in shear flow. With an extensive range of Reynolds number, capillary number, wall confinement, and density/viscosity ratio between the droplet…
The characterization of intermittent, multiscale and transient dynamics using data-driven analysis remains an open challenge. We demonstrate an application of the Dynamic Mode Decomposition (DMD) with sparse sampling for the diagnostic…
In microscopic mechanical systems interactions between elastic structures are often mediated by the hydrodynamics of a solvent fluid. At microscopic scales the elastic structures are also subject to thermal fluctuations. Stochastic…
We develop an algorithm suitable for parallel molecular dynamics simulations in $d$ spatial dimensions and describe its implementation in C++. All routines work in arbitrary $d$; the maximum simulated $d$ is limited only by available…
Heterogeneous multiscale methods (HMM) combine molecular accuracy of particle-based simulations with the computational efficiency of continuum descriptions to model flow in soft matter liquids. In these schemes, molecular simulations…
Modern computational science and engineering applications are being improved by the advances in scientific machine learning. Data-driven methods such as Dynamic Mode Decomposition (DMD) can extract coherent structures from spatio-temporal…
We present a hybrid method for the simulation of colloidal systems, that combines molecular dynamics (MD) with the Lattice-Boltzmann (LB) scheme. The LB method is used as a model for the solvent in order to take into account the…
In this work, we used a coupled level set and volume of fluid (CLSVOF) computational method for studying the generation of microdroplets in a two dimensional circular co-flow microfluidic device. The fundamental understanding of shear…
The slow flow of amorphous solids exhibits striking heterogeneities: swift localised particle rearrangements take place in the midst of a more or less homogeneously deforming medium. Recently, experimental as well as numerical work has…