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The polarizable embedding (PE) model is a fragment-based quantum-classical approach aimed at accurate inclusion of environment effects in quantum-mechanical response property calculations. The aim of this tutorial is to give insight into…
Entering a new era of sustainable energy generation and consumption, new solutions for powering consumer electronics are required to tackle the limited capacity provided by the portable power sources employed nowadays. Hydrocarbon-fed…
A way forward for high throughput fabrication of microcapsules with uniform size and mechanical properties was reported irrespective of the kinetic process of shell assembly. Microcapsules were produced using lab-scale emulsification…
Proton exchange membrane fuel cell (PEMFC) systems offer a key approach to hydrogen utilization, and PEMFC-based combined cooling, heating, and power (CCHP) systems pave the way for an efficient and clean energy supply to buildings. In…
We determine the evolving segregated or mixed morphology of charged-particle systems with long-range power-law interactions and overall charge neutrality that have been quenched to a low temperature. Segregated morphology systems are…
Fluid, heat and species transport and oxygen reduction in the cathode of a PEM fuel cell are simulated using multi relaxation lattice Boltzmann method. Heat generation due to oxygen reduction and its effects on transport and reaction are…
Thermally-operating regimes of a three-layer liquid metal battery are determined in terms of the aspect ratio. The heat exchange between the battery container and the environment is taken into account. Velocity fields and temperature…
A novel jet-stirred combustion chamber is designed to study turbulent premixed flames. In the new approach, multiple impinging turbulent jets are used to stir the mixture. It is well known that pair of counterflowing turbulent jets produces…
The transport of water and protons in the cathode catalyst layer (CCL) of proton exchange membrane (PEM) fuel cells is critical for cell performance, but the underlying mechanism is still unclear. Herein, the ionomer structure and the…
This work addresses the modelling, power control, and optimization of a thermal energy storage (TES) system combined with a vapour-compression refrigeration facility based on phase change materials (PCM). Given a novel design of a PCM-based…
Ever since modeling has become a mature part of proton exchange membrane fuel cell (PEMFC) research and development, it has been plagued by significant uncertainty lying in the detailed knowledge of material properties required.…
This work presents a numerical study of a diffusion flame in a reacting, two-dimensional, turbulent, viscous, multi-component, compressible mixing layer subject to a large favorable streamwise pressure gradient. The boundary-layer equations…
The build up of polyelectrolyte multilayers (PEMs) was observed by a silicon-on-insulator (SOI) based thin film resistor. Differently charged polyelectrolytes adsorbing to the sensor surface result in defined potential shifts, which…
A flat mounting unit with electronically variable thermal resistance [1] has been presented in the last year [2]. The design was based on a Peltier cell and the appropriate control electronics and software. The device is devoted especially…
The time dependence of device performance has been measured for photocells using blends containing the conjugated polymer, poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV) with two different functionalized C60 electron…
A continuous CO2 vapor-fed electrochemical cell prototype that performs CO2R with high faradaic efficiency for desired carbon products for up to 72 hours of operation is presented. The cell design facilitates a flow through configuration,…
The present study focuses on the development, application, and comparison of three computational frameworks of varying fidelities for assessing the effects of fuel sloshing in internal fuel tanks on the aeroelastic characteristics of a wing…
This work presents a modeling framework to represent the thermomechanical behavior of complex materials based on micromechanical dynamics. The framework is applied to nuclear fuel rod elements composed of Zircaloy-2 cladding tubes and…
Cell membranes separate the cell interior from the external environment. They are constituted by a variety of lipids; their composition determines the dynamics of membrane proteins and affects the ability of the cells to adapt. Even though…
The development of thermal stresses inside refractory ceramics experiencing severe thermal shock is studied. The present analysis departs from the linear theory of thermal stresses as it accounts for temperature dependent thermal and…