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This study presents a comprehensive a priori analysis of tabulated-chemistry models for both laminar and turbulent lean premixed hydrogen flames in strained counterflow configuration. Particular focus is drawn on differential and…
We study sequence dependent complexation between oligonucleotides (single strand DNA) and various generation ethylene diamine (EDA) cored poly amido amide (PAMAM) dendrimers through atomistic molecular dynamics simulations accompanied by…
In this paper, we present a novel kinetic growth model for the micro-organism \textit{Methylococcus capsulatus} (Bath) that couples growth and pH. We apply growth kinetics in a model for single-cell protein production in a laboratory-scale…
Pebble-bed nuclear reactor technology, which is currently being revived around the world, raises fundamental questions about dense granular flow in silos. A typical reactor core is composed of graphite fuel pebbles, which drain very slowly…
Membrane systems represent a computational model that operates in a distributed and parallel manner, inspired by the behavior of biological cells. These systems feature objects that transform within a nested membrane structure. This…
Hydrogen fuel cells are a key technology in the transition toward carbon-neutral energy systems, offering clean power with water as the only byproduct. Microfluidic fuel cells, which operate at the microliter scale, are an emerging variant…
A novel jet-stirred reactor was designed to study combustion processes at low Damk\"ohler number (Da, ratio of residence time to chemical time), i.e. chemical kinetics. In this new design, multiple impinging turbulent jets are used to stir…
We have carried out a preliminary design and simulation of a single-electron resistive switch based on a system of two linear, parallel, electrostatically-coupled molecules: one implementing a single-electron transistor and another serving…
Triblock terpolymers exhibit a rich self-organization behavior including the formation of fascinating cylindrical core-shell structures with a phase separated corona. After crystallization-induced self-assembly of…
Inductively heated metamaterial reactors, which utilize an open cell lattice baffle structure as a heating susceptor for magnetic induction, are promising candidates for scaled electrified thermochemical reactor operation due to their…
Benchmark-quality rovibrational data are reported for the methane dimer from variational nuclear motion computations using an ab initio intermolecular potential energy surface reported by [M. P. Metz et al., Phys. Chem. Chem. Phys., 2019,…
Atmosphere-breathing electric propulsion (ABEP) is a promising technology for long-term orbit maintenance in very-low-Earth orbit. The intake device plays a crucial role in capturing and supplying propellant, and its capture efficiency is a…
Shallow fuelling pellets are injected from the high field side into plasmas in which ELMs have been mitigated using external magnetic perturbation coils. The data are compared with ideal assumptions in the ITER fuelling model, namely that…
A Time Projection Chamber (TPC) using micro-pattern gas detectors is planned as the main tracking device for a detector at the next Linear Collider. A novel support structure for Gas Electron Multipliers (GEMs), which minimizes the material…
Constructing accurate, high dimensional molecular potential energy surfaces (PESs) for polyatomic molecules is challenging. Reproducing Kernel Hilbert space (RKHS) interpolation is an efficient way to construct such PESs. However, the…
Thermal Energy Storage (TES) devices, which leverage the constant-temperature thermal capacity of the latent heat of a Phase Change Material (PCM), provide benefits to a variety of thermal management systems by decoupling the absorption and…
We study the properties of a trapped interacting three component Fermi gas. We assume that one of the components can have a different mass from the other two. We calculate the different phases of the three component mixture and find a rich…
Proton transport property is studied by modelling the intermolecular pair correlation functions of the proton ion with the electrode and the electrolyte of a polymer electrolyte fuel cell (PEMFC) by using Materials-Studio and then applying…
Efficient design and performance of electrically actuated MEMS devices necessitate accurate estimation of electrostatic forces on the MEMS structures. This in turn requires thorough study of the capacitance of the structures and finally the…
In this work we develop a simple equivalent circuit model (ECM) that predicts the spectral response of a lumped-element loaded single patterned layer reflective metasurface. The proposed ECM maintains accuracy across varying design…