Related papers: A Systematic Modeling Framework for Dynamic Simula…
Ammonia is a promising zero-carbon fuel for industrial and transport applications, but its combustion is hindered by flame instabilities, incomplete oxidation, and the formation of nitrogen oxides. Accurate and detailed kinetic models are…
Modeling of dynamic processes in nuclear reactors is carried out, mainly, on the basis of the multigroup diffusion approximation for the neutron flux. The basic model includes a multidimensional set of coupled parabolic equations and…
Understanding the evolution of electrified solid-liquid interfaces during electrochemical reactions is crucial. However, capturing the dynamic behavior of the interfaces with high temporal resolution and accuracy over long timescales…
Metal hydrides have been studied for use in energy storage, hydrogen storage, and air-conditioning (A/C) systems. A common architecture for A/C and energy storage systems is two metal hydride reactors connected to each other so that…
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…
Nuclear reactors are often modeled as inflexible baseload generators with fixed downtimes and restrictive ramping constraints. In practice, however, a reactor's operational flexibility is closely tied to its fuel cycle and associated…
We propose a grid-like computational model of tubular reactors. The architecture is inspired by the computations performed by solvers of partial differential equations which describe the dynamics of the chemical process inside a tubular…
We propose and demonstrate an experimental scheme to engineer thermal baths with independently tunable temperatures and dissipation rates for the motional modes of a trapped-ion system. This approach enables robust thermal-state preparation…
Developing accurate models for chemical reactors is often challenging due to the complexity of reaction kinetics and process dynamics. Traditional approaches require retraining models for each new system, limiting generalizability and…
Monitoring the dynamics processes in combustors is crucial for safe and efficient operations. However, in practice, only limited data can be obtained due to limitations in the measurable quantities, visualization window, and temporal…
The study of multiphase flow is essential for understanding the complex interactions of various materials. In particular, when designing chemical reactors such as fluidized bed reactors (FBR), a detailed understanding of the hydrodynamics…
Computational fluid dynamics (CFD) simulations of complex fluid flows in energy systems are prohibitively expensive due to strong nonlinearities and multiscale-multiphysics interactions. In this work, we present a transformer-based modeling…
The forthcoming energy transition calls for a new generation of thermal power generation systems with low- or zero-emission and highly flexible operation. Dynamic modelling and simulation is a key enabling factor in this field, as…
It is essential that mesoscopic simulations of reactive systems reproduce the correct statistical distributions at thermodynamic equilibrium. By considering a compressible fluctuating hydrodynamics (FHD) simulation method of ideal gas…
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…
Redox processes are important in chemistry, with applications in biomedicine, chemical analysis, among others. As many redox experiments are also performed at a fixed value of pH, having an efficient computational method to support…
The development of computational models for the numerical simulation of chemically reacting flows operating in the turbulent regime requires the solution of partial differential equations that represent the balance of mass, linear momentum,…
This work presents a fully coupled combustor turbine simulation framework applied to the MYTHOS aeroengine, developed within the Horizon Europe project MYTHOS, aimed at assessing the impact of Sustainable Aviation Fuels (SAFs) and hydrogen…
Advanced reactors to be deployed in the coming decades will face deregulated energy markets, and may adopt flexible operation to boost profitability. To aid in the transition from baseload to flexible operation paradigm, autonomous…
Advanced nuclear reactors often exhibit complex thermal-fluid phenomena during transients. To accurately capture such phenomena, a coarse-mesh three-dimensional (3-D) modeling capability is desired for modern nuclear-system code. In the…