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We present the latest improvements in the Center for Radiative Shock Hydrodynamics (CRASH) code, a parallel block-adaptive-mesh Eulerian code for simulating high-energy-density plasmas. The implementation can solve for radiation models with…
We calibrate a neutrino transport approximation, called Advanced Spectral Leakage (ASL), with the purpose of modeling neutrino-driven winds in neutron star mergers. Based on a number of snapshots we gauge the ASL parameters by comparing…
The RELICS (REactor neutrino LIquid xenon Coherent elastic Scattering) experiment aims to detect coherent elastic neutrino-nucleus scattering from reactor antineutrinos using a dual-phase xenon time projection chamber. To validate the…
A conceptual scheme of a hybrid-emulsion spectrometer for investigating various channels of neutrino oscillations is proposed. The design emphasizes detection of $\tau$ leptons by detached vertices, reliable identification of electrons, and…
The aim of this paper is to deal with multi-physics simulation of micro-electro-mechanical systems (MEMS) based on an advanced numerical methodology. MEMS are very small devices in which electric as well as mechanical and fluid phenomena…
We present a novel scattering emulator utilizing the complex scaling method to enhance nuclear reaction analysis. This approach leverages a single set of reduced bases, allowing for efficient and simultaneous emulation across multiple…
The study performs large-eddy simulations of supersonic free jet flows using the Discontinuous Galerkin Spectral Element Method (DGSEM). The main objective of the present work is to assess the resolution requirements for adequate simulation…
Sequencing batch reactors (SBRs) are devices widely used in wastewater treatment, chemical engineering, and other areas. They allow for the sedimentation and compression of solid particles of biomass simultaneously with biochemical…
Non-equilibrium molecular dynamics (NEMD) techniques are widely used for investigating lattice thermal conductivity. Recently, machine learning force fields (MLFFs) have emerged as a promising approach to enhance the precision in NEMD…
Irradiation-induced void swelling is a critical degradation mechanism for structural materials in nuclear reactors, dictating component operational lifespan and safety. While recent machine learning (ML) approaches have improved the…
We discuss pioneering heat and fluid flow simulations of fusion and fission energy systems with NekRS on exascale computing facilities, including Frontier and Aurora. The Argonne-based code, NekRS, is a highly-performant open-source code…
In this thesis, a computational framework for microstructural modelling of transverse behaviour of heterogeneous materials is presented. The context of this research is part of the broad and active field of Computational Micromechanics,…
In the design and safety analysis of advanced reactor systems, constructing input files for system-level thermal-hydraulics codes such as the System Analysis Module (SAM) remains a labor-intensive task. Analysts must extract and reconcile…
Surface-enhanced Raman scattering (SERS) combines analyte-specificity and single-molecule sensitivity, but its potential is limited by slow readout where sophisticated nanosensors are analysed in a serial fashion, one particle at a time. We…
Finite element method (FEM) suffers from a serious mesh distortion problem when used for high velocity impact analyses. The smooth particle hydrodynamics (SPH) method is appropriate for this class of problems involving severe damages but at…
This paper presents two approaches: the virtual element method (VEM) and the stabilization-free virtual element method (SFVEM) for analyzing thermomechanical behavior in electronic packaging structures with geometric multi-scale features.…
One of the main challenges to overcome to perform nanomechanical Mass Spectrometry (NEMS-MS) analysis in a practical time frame stems from the size mismatch between the analyte beam and the extremely small nanomechanical detector area. We…
In this work, the development and implementation of the effective stochastic potential (ESP) method is presented to perform efficient conformational sampling of molecules. The overarching goal of this work is to alleviate the computational…
The emerging demand for advanced structural and biological materials calls for novel modeling tools that can rapidly yield high-fidelity estimation on materials properties in design cycles. Lattice spring model (LSM), a coarse-grained…
Reservoir computing (RC), is a class of computational methods such as Echo State Networks (ESN) and Liquid State Machines (LSM) describe a generic method to perform pattern recognition and temporal analysis with any non-linear system. This…