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Rod bundle flows are commonplace in nuclear engineering, and are present in light water reactors (LWRs) as well as other more advanced concepts. Inhomogeneities in the bundle cross section can lead to complex flow phenomena, including…
Infrared and Raman spectroscopy are widely used for the characterization of gases, liquids, and solids, as the spectra contain a wealth of information concerning in particular the dynamics of these systems. Atomic scale simulations can be…
Mixed-precision computing has the potential to significantly reduce the cost of exascale computations, but determining when and how to implement it in programs can be challenging. In this article, we propose a methodology for enabling…
We present an Advanced Spectral Leakage (ASL) scheme to model neutrinos in the context of core-collapse supernovae and compact binary mergers. Based on previous gray leakage schemes, the ASL scheme computes the neutrino cooling rates by…
Coherent elastic neutrino-nucleus scattering (CEvNS) provides a unique probe for neutrino properties Beyond the Standard Model (BSM) physics. REactor neutrino LIquid xenon Coherent Scattering experiment (RELICS), a proposed reactor neutrino…
The constant potential molecular dynamics simulation method proposed by Siepmann and Sprik and reformulated later by Reed (SR-CPM) has been widely employed to investigate the metallic electrolyte/electrode interfaces, especially for…
Beyond active material intrinsic properties, the electrode manufacturing process is a crucial step to reach high energy density and long-life of Li-ion batteries. In particular, very high pressures are applied to the electrode during the…
In this work, we propose a multi-scale protocol for routine theoretical studies of chemical reaction mechanisms. The initial reaction paths of our investigated systems are sampled using the Nudged-Elastic Band (NEB) method driven by a cheap…
Finite element method (FEM) is one of the most important numerical methods in modern engineering design and analysis. Since traditional serial FEM is difficult to solve large FE problems efficiently and accurately, high-performance parallel…
This manuscript presents a practical method for incorporating trained Neural Networks (NNs) into the Finite Element (FE) framework using a user material (UMAT) subroutine. The work exemplifies crystal plasticity, a complex inelastic…
Advancements in computing power have made it possible to numerically simulate large-scale fluid-mechanical and/or particulate systems, many of which are integral to core industrial processes. Among the different numerical methods available,…
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…
Improvements in computer systems have historically relied on two well-known observations: Moore's law and Dennard's scaling. Today, both these observations are ending, forcing computer users, researchers, and practitioners to abandon the…
We develop hybrid RANS-LES strategies within the spectral element code Nek5000 based on the $k-\tau$ class of turbulence models. We chose airfoil sections at small flight configurations as our target problem to comprehensively test the…
The Ericksen model for nematic liquid crystals couples a director field with a scalar degree of orientation variable, and allows the formation of various defects with finite energy. We propose a simple but novel finite element approximation…
This paper presents a novel methodology for fast simulation and analysis of transient heat transfer. The proposed methodology is suitable for real-time applications owing to (i) establishing the solution method from the viewpoint of…
This work presents a unified fluid modeling framework for reacting flows coupled with nonthermal plasmas (NTPs). Building upon the gas-plasma kinetics solver, ChemPlasKin, and the CFD library, OpenFOAM, the integrated solver, reactPlasFOAM,…
Analyses in high energy physics aim to put the Standard Model---the commonly accepted theory---to test. For convincing conclusions, analysis methods are needed which offer an unambiguous comparison between data and theory while allowing…
We present the capabilities and results of the Parallel Edge-based Tool for Geophysical Electromagnetic modeling (PETGEM), as well as the physical and numerical foundations upon which it has been developed. PETGEM is an open-source and…
Neutral helium atom microscopy, also referred to as scanning helium microscopy and commonly abbreviated SHeM or NAM (neutral atom microscopy), is a novel imaging technique that uses a beam of neutral helium atoms as an imaging probe. The…