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The accurate and robust simulation of transcritical real-fluid effects is crucial for many engineering applications, such as fuel injection in internal combustion engines, rocket engines and gas turbines. For example, in diesel engines, the…
Obtaining a rigorous and reliable method for linking computer simulations of polymer blends and composites at different length scales of interest is a highly desirable goal in soft matter physics. In this paper a multiscale modeling…
Monte-Carlo simulation of physical processes is an important tool for detector development as it allows to predict signal pulse amplitude and timing, time resolution, efficiency ... Yet despite the fact they are very common, full…
Co-pyrolysis of biomass feedstocks with polymeric wastes is a promising strategy for improving the quantity and quality parameters of the resulting liquid fuel. Numerous experimental measurements are typically conducted to find the optimal…
Many thermo-mechanical processes, such as thermal expansion and stress relaxation, originate at the atomistic scale. We develop a sequential multiscale approach to study thermally stressed superelastic polyimide to explore these effects.…
A sequential trajectory linearized adaptive model based predictive controller is designed using the DMC algorithm to control the temperature of a batch MMA polymerization process. Using the mechanistic model of the polymerization, a…
Accurately capturing and simulating multiscale systems is a formidable challenge, as both spatial and temporal scales can span many orders of magnitude. Rigorous upscaling methods not only ensure efficient computation, but also maintains…
An integrated simulation approach fully based upon particle-in-cell (PIC) model is proposed, which involves both fast particle generation via laser solid-density plasma interaction and transport and energy deposition of the particles in…
In the past, laser propagation in a fluid with heat transfer has been modeled using simplistic conduction and convection conditions yielding inaccurate predictions. Here we present a detailed numerical study describing the thermal profile…
The assessment of the thermal properties of walls is essential for accurate building energy simulations that are needed to make effective energy-saving policies. These properties are usually investigated through in-situ measurements of…
Every time a chemical reaction occurs, an energy exchange between reactants and environment exists, which is defined as the enthalpy of the reaction. In the last decades, research has resulted in an increasing number of devices at the…
The critical dimension necessary for a flame to propagate in suspensions of fuel particles in oxidizer is studied analytically and numerically. Two types of models are considered: First, a continuum model, wherein the individual particulate…
In this paper, the physics informed neural networks (PINNs) is employed for the numerical simulation of heat transfer involving a moving source. To reduce the computational effort, a new training method is proposed that uses a continuous…
Preferential diffusion plays a critical role in the evolution of lean premixed hydrogen flames, influencing flame surface corrugation and overall flame behavior. Simulating such flames with tabulated chemistry (TC) methods remains…
Pipe flow models are developed with a focus on their eventual use for feedback control design at the process control level, as opposed to the unit level, in gas processing facilities. Accordingly, linearized facility-scale models are…
Warm dense matter (WDM) is an active field of research, with applications ranging from astrophysics to inertial confinement fusion. Ionization degree and continuum lowering are important quantities to understand how materials behave under…
Forecasting bushfire spread is an important element in fire prevention and response efforts. Empirical observations of bushfire spread can be used to estimate fire response under certain conditions. These observations form rate-of-spread…
A comprehensive description of molecular electron transfer reactions is essential for our understanding of fundamental phenomena in bio-energetics and molecular electronics. Experimental studies of molecular systems in condensed-phase…
The morphology of flame fronts propagating in reactive systems comprised of randomly positioned, point-like sources is studied. The solution of the temperature field and the initiation of new sources is implemented using the superposition…
The long time dynamics of polymeric materials has been extensively studied in the past through various experimental techniques and computer simulations. While computer simulations typically treat generic, simplified models, experiments deal…