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Particulate composites underpin many solid-state chemical and electrochemical systems, where microstructural features such as multiphase boundaries and inter-particle connections strongly influence system performance. Advances in X-ray…
The fabric of porous and fractured media contains solid regions (grains) and voids. The space conducting fluids is a system of connected voids with variable geometries. Relative to the grain sizes, the voids can be voluminous with three…
Continuum simulation is employed to study ion transport and fluid flow through a nanopore in a solid-state membrane under an applied potential drop. Results show the existence of concentration polarization layers on the surfaces of the…
The use of floating bipolar electrodes in copper electro-winning cells represents an emerging technology that promises economic and operational impacts. This thesis presents EWCellCAD, a computational tool designed for the simulation and…
Theoretical modeling of electroosmosis through conducting (ideally polarizable) nanochannels is reported. Based on the theory of induced charge electrokinetics, a novel nanofluidic system which possesses both adjustable ion selective…
As a probabilistic modeling technique, the flow-based model has demonstrated remarkable potential in the field of lossless compression \cite{idf,idf++,lbb,ivpf,iflow},. Compared with other deep generative models (eg. Autoregressive, VAEs)…
Manipulation of small-scale particles across streamlines is the elementary task of microfluidic devices. Many such devices operate at very low Reynolds numbers and deflect particles using arrays of obstacles, but a systematic quantification…
Redox Flow Batteries are a promising option for large-scale stationary energy storage. The vanadium redox flow battery is the most widely commercialized system thanks to its chemical stability and performance. This work aims to optimize the…
The paper is devoted to the homogenization of porous piezoelectric materials saturated by electrically inert fluid. The solid part of a representative volume element consists of the piezoelectric skeleton with embedded conductors. The pore…
Pore structures and gas transport properties in porous separators for polymer electrolyte fuel cells are evaluated both experimentally and through simulations. In the experiments, the gas permeabilities of two porous samples, a conventional…
Efficient water transport through nanostructure membranes is essential for advancing filtration and desalination technologies. In this study, we investigate the flow of water through molybdenum disulfide (MoS$_{2}$) nanopores of varying…
Using molecular dynamics simulations, we reveal emergent properties of hydrated electrode interfaces that while molecular in origin are integral to the behavior of the system across long times scales and large length scales. Specifically,…
The share of electronically converted power from renewable sources, loads, and storage is continuously growing in the low- and medium-voltage grids. These sources and loads typically rectify the grid AC to DC, e.g., for a DC link, so that a…
Forced convection cooling is important in numerous technologies ranging from microprocessors in data centers to turbines and engines; active cooling is essential in these situations. However, active transfer of heat or thermal energy under…
This paper presents a three-dimensional topology optimization method for the design of flow field in vanadium redox flow batteries (VRFBs). We focus on generating a novel flow field configuration for VRFBs via topology optimization, which…
High precision atomic data is indispensable for experiments involving studies of fundamental interactions, astrophysics, atomic clocks, plasma science, and others. We develop new parallel atomic structure codes and explore the difficulties…
Tunneling of electrons through rotor-stator anthracene aldehyde molecular interfaces is studied with a combined ab initio and model approach. Molecular electronic structure calculated from first principles is utilized to model different…
The optimal use of resources has motivated the engineering community to employ controlled distribution of material within their structural designs, often relying on cellular and lattice porous structures. In this research work, a…
To tackle the complexity of state-of-the-art electronic systems, silicon foundries continuously shrink the technology nodes and electronic design automation (EDA) vendors offer hierarchical design flows to decompose systems into smaller…
Recent advances in nanotechnology have enabled researchers to manipulate small collections of quantum mechanical objects with unprecedented accuracy. In semiconductor quantum dot qubits, this manipulation requires controlling the dot…