Related papers: Unified non-equilibrium simulation methodology for…
Understanding active matter has led to new perspectives on biophysics and non-equilibrium dynamics. However, the development of numerical tools for simulating active fluids capable of incorporating non-trivial boundaries or inclusions has…
In this article, we present a new unified finite element method (UFEM) for simulation of general Fluid-Structure interaction (FSI) which has the same generality and robustness as monolithic methods but is significantly more computationally…
Fluids under nanoscale confinement differ -- and often dramatically -- from their bulk counterparts. A notorious feature of nanoconfined fluids is their inhomogeneous density profile along the confining dimension, which plays a key role in…
A powerful technique is introduced for simulating mechanical and electromechanical properties of one-dimensional nanostructures under arbitrary combinations of bending, twisting, and stretching. The technique is based on a novel control of…
Solving flow through porous media is a crucial step in the topology optimisation of cold plates, a key component in modern thermal management. Traditional computational fluid dynamics (CFD) methods, while accurate, are often prohibitively…
Accounting for electrons and nuclei simultaneously is a powerful capability of ab initio molecular dynamics (AIMD). However, AIMD is often unable to accurately reproduce properties of systems such as water due to inaccuracies in the…
Particle methods play an important role in computational fluid dynamics, but they are among the most difficult to implement and solve. The most common method is smoothed particle hydrodynamics, which is suitable for problem settings that…
The sedimentation process of granular materials exists ubiquitously in nature and many fields which involve the solid-liquid separation. This paper employs the coupled computational fluid dynamics and discrete element method (CFD-DEM) to…
The ever-increasing computation complexity of fastgrowing Deep Neural Networks (DNNs) has requested new computing paradigms to overcome the memory wall in conventional Von Neumann computing architectures. The emerging Computing-In-Memory…
In this paper, a predictive constraint-aware control scheme is formulated within the Command Governor (CG) framework for localized hydration management of a proton exchange membrane (PEM) fuel cell system. First, a comprehensive nonlinear…
We introduce a new adaptive decomposition tool, which we refer to as Nonlinear Mode Decomposition (NMD). It decomposes a given signal into a set of physically meaningful oscillations for any waveform, simultaneously removing the noise. NMD…
We present a variant of the recently developed quantum corrected model (QCM) for plasmonic nanoparticles [Nature Commun. 3, 825 (2012)] using non-local boundary conditions. The QCM accounts for electron tunneling in narrow gap regions of…
The ability of semipermeable membranes to selectively impede the transport of undesirable solutes is key to many applications. Yet, obtaining a systematic understanding of how membrane structure affects selectivity remains elusive due to…
Molecular Dynamics (MD) simulations are essential for understanding the atomic-level behavior of molecular systems, giving insights into their transitions and interactions. However, classical MD techniques are limited by the trade-off…
Non-equilibrium molecular dynamics (NEMD) simulations were used to study pool boiling of water films on an ultra-thin planar aluminum substrate as well as the effect of surface wettability. The simulation geometry is a 10 nm-thick water…
The growth of computational resources in the past decades has expanded the application of Computational Fluid Dynamics (CFD) from the traditional fields of aerodynamics and hydrodynamics to a number of new areas. Examples range from the…
An evolutionary multi-objective aerodynamic design optimization method using the computational fluid dynamics (CFD) simulations incorporating deep neural network (DNN) to reduce the required computational time is proposed. In this approach,…
We present a review of the Non-additive Stochastic Model for supercooled liquids (NSM), an efficient approach for diffusive processes that provides a suitable interpretation for the non-Arrhenius dynamics in these materials. Based on a…
Electrokinetic transport phenomena can strongly influence the behaviour of macromolecules and colloidal particles in solution, with applications in, e.g., DNA translocation through nanopores, electro-osmotic flow in nanocapillaries, and…
We examine a reduced membrane model of liquid crystal polymer networks (LCNs) via asymptotics and computation. This model requires solving a minimization problem for a non-convex stretching energy. We show a formal asymptotic derivation of…