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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 217 records · Page 12

Quantum many-body calculations using body-centered cubic lattices

It is often computationally advantageous to model space as a discrete set of points forming a lattice grid. This technique is particularly useful for computationally difficult problems such as quantum many-body systems. For reasons of simplicity and familiarity, nearly all quantum many-body calculations have been performed on simple cubic lattices. Since the removal of lattice artifacts is often an important concern, it would be useful to perform calculations using more than one lattice geometry. In this paper we show how to perform quantum many-body calculations using auxiliary-field Monte Carlo simulations on a three-dimensional body-centered cubic (BCC) lattice. As a benchmark test we compute the ground state energy of 33 spin-up and 33 spin-down neutrons in the unitary limit, which is an idealized limit where the interaction range is zero and scattering length is infinite. As a fraction of the free Fermi gas energy E FG , we find that the ground state energy is E 0 /E FG =0.369(2),0.371(2), using two different definitions of the finite-system energy ratio. This is in excellent agreement with recent results obtained on a cubic lattice [He et al., Phys. Rev. A 101, 063615 (2020)]. We find that the computational effort and performance on a BCC lattice is approximately the same as that for a cubic lattice with the same number of lattice points. We discuss how the lattice simulations with different geometries can be used to constrain the size of lattice artifacts in simulations of continuum quantum many-body systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Synchrophasor Data Compression Under Disturbance Conditions via Cross-Entropy-Based Singular Value Decomposition

The increasing deployment of phasor measurement units and the advances of their reporting rates are challenging the present data centers in terms of storing and analyzing large-volume data. Under power system disturbance conditions, it is difficult to retain critical information while compressing the synchrophasor data effectively. This article combines the cross entropy and the singular value decomposition, proposing a novel model to compress the synchrophasor data to an extremely small size yet keep superior accuracy. The proposed model is extensively tested and compared with the state-of-the-art algorithms using the simulated and the FNET/GridEye field-collected data. The result indicates that the proposed algorithm has superior performance in compressing the data while retaining critical information under disturbance conditions.

42 ENGINEERING↗

Development of a dynamical model and energy analysis for wheel loader

The objective of this paper is to develop a fully integrated model for the wheel loader, including the subsystem dynamics of the engine, drivetrain, working circuit, steering circuit, and vehicle. It leads to a high-order strongly nonlinear system, and all state variables are coupled together to form a Multi-Input and Multi-Output (MIMO) system. A control architecture is proposed to decouple the MIMO system into several Single-Input and Single-Output (SISO) systems. Here, a tracking problem has been formulated to validate this fully integrated model with the field test data. The accuracy of the model is verified by the 2.3% difference between the measured and simulated fuel consumption. Meanwhile, an energy distribution analysis is conducted to reveal the energy consumption and energy loss of each portion of the wheel loader. Such a model can be used to plan the working pattern, guide the driving habits of human operators, or refine the underlying architecture, leading to the ultimate goal of reducing total fuel consumption and improving productivity.

42 ENGINEERING↗

The Effect of Large-scale Magnetic Fluctuations on Energetic Particle Profiles across Interplanetary Shocks

In situ observations of energetic particles associated with interplanetary (IP) shocks, known as energetic storm particle (ESP) events, often show time-intensity profiles quite different from predictions of classical diffusive shock acceleration theory. We use numerical simulations, including test-particle simulations and hybrid simulations (with fluid electrons and kinetic protons) for shocks propagating into a turbulent magnetic field to study the ESP intensity-time profiles across a strong IP shock. We find that several types of energetic particle intensity profiles similar to in situ observations can be produced in our simulations. The peak of energetic particle count is often near, but can be shifted from, the locations of the shock front, with the peak usually being observed downstream of the shock. These findings may help understand particle acceleration at both traveling IP shocks and shocks in other heliospheric and astrophysical environments.

Lo, Ming-Yuan [New Mexico Consortium (NMC), Los Al↗

Ground Heat Flux Reconstruction Using Bayesian Uncertainty Quantification Machinery and Surrogate Modeling

Ground heat flux (G 0 ) is a key component of the land-surface energy balance of high-latitude regions. Despite its crucial role in controlling permafrost degradation due to global warming, G 0 is sparsely measured and not well represented in the outputs of global scale model simulation. In this study, an analytical heat transfer model is tested to reconstruct G 0 across seasons using soil temperature series from field measurements, Global Climate Model, and climate reanalysis outputs. The probability density functions of ground heat flux and of model parameters are inferred using available G 0 data (measured or modeled) for snow-free period as a reference. When observed G 0 is not available, a numerical model is applied using estimates of surface heat flux (dependent on parameters) as the top boundary condition. These estimates (and thus the corresponding parameters) are verified by comparing the distributions of simulated and measured soil temperature at several depths. Aided by state-of-the-art uncertainty quantification methods, the developed G 0 reconstruction approach provides novel means for assessing the probabilistic structure of the ground heat flux for regional permafrost change studies.

54 ENVIRONMENTAL SCIENCES↗

Evidence of a toroidal magnetic field in the core of 3C 84

The spatial scales of relativistic radio jets, probed by relativistic magneto-hydrodynamic (RMHD) jet launching simulations and by most very long baseline interferometry (VLBI) observations differ by an order of magnitude. Bridging the gap between these RMHD simulations and VLBI observations requires selecting nearby active galactic nuclei (AGN), the parsec-scale region of which can be resolved. The radio source 3C 84 is a nearby bright AGN fulfilling the necessary requirements: it is launching a powerful, relativistic jet powered by a central supermassive black hole, while also being very bright. Using 22 GHz globe-spanning VLBI measurements of 3C 84 we studied its sub-parsec region in both total intensity and linear polarisation to explore the properties of this jet, with a linear resolution of ~0.1 parsec. We tested different simulation set-ups by altering the bulk Lorentz factor Γ of the jet, as well as the magnetic field configuration (toroidal, poloidal, helical). We confirm the persistence of a limb brightened structure, which reaches deep into the sub-parsec region. The corresponding electric vector position angles (EVPAs) follow the bulk jet flow inside but tend to be orthogonal to it near the edges. Our state-of-the-art RMHD simulations show that this geometry is consistent with a spine-sheath model, associated with a mildly relativistic flow and a toroidal magnetic field configuration.

3C 84 (NGC 1275)↗

A finite-volume scheme for modeling compressible magnetohydrodynamic flows at low Mach numbers in stellar interiors

Fully compressible magnetohydrodynamic (MHD) simulations are a fundamental tool for investigating the role of dynamo amplification in the generation of magnetic fields in deep convective layers of stars. The flows that arise in such environments are characterized by low (sonic) Mach numbers ($\mathscr{M}$ son ≲ 10 –2 ). In these regimes, conventional MHD codes typically show excessive dissipation and tend to be inefficient as the Courant–Friedrichs–Lewy (CFL) constraint on the time step becomes too strict. In this work we present a new method for efficiently simulating MHD flows at low Mach numbers in a space-dependent gravitational potential while still retaining all effects of compressibility. The proposed scheme is implemented in the finite-volume SEVEN-LEAGUE HYDRO (SLH) code, and it makes use of a low-Mach version of the five-wave Harten–Lax–van Leer discontinuities (HLLD) solver to reduce numerical dissipation, an implicit–explicit time discretization technique based on Strang splitting to overcome the overly strict CFL constraint, and a well-balancing method that dramatically reduces the magnitude of spatial discretization errors in strongly stratified setups. The solenoidal constraint on the magnetic field is enforced by using a constrained transport method on a staggered grid. We carry out five verification tests, including the simulation of a small-scale dynamo in a star-like environment at $\mathscr{M}$ son ~ 10 –3 . We demonstrate that the proposed scheme can be used to accurately simulate compressible MHD flows in regimes of low Mach numbers and strongly stratified setups even with moderately coarse grids.

79 ASTRONOMY AND ASTROPHYSICS↗

Evaluating and Improving Scale–Awareness of a Convective Parameterization Closure Using Cloud–Resolving Model Simulations of Convection

This study aims to evaluate a revised closure of the Zhang-McFarlane (ZM) scheme for deep convection and to further improve its scale awareness. Output from two cloud-resolving model (CRM) simulations of both midlatitude organized (MC3E) and tropical unorganized (TWP-ICE) convection are used for the evaluation. By averaging the CRM output over different subdomain sizes from 64 km to 4 km, convection-associated fields are obtained to represent the fields at different horizontal resolutions of global climate models (GCMs). The convection parameterization closure is then tested using these fields. Results show that the cloud base mass flux M b determined from the closure has a relatively good relationship with CRM-simulated convection at coarse resolutions for both MC3E and TWP-ICE, but their correlation degrades at higher resolutions, especially when approaching the gray zone scale under 10 km. The fluctuation of CAPE consumption rate per unit cloud base mass flux for different convective events is found to be an important factor affecting the correlation. When averaged over the base domain, the cloud base mass flux determined by the closure is found to increase with decreasing subdomain size, implying that the closure is not scale-aware. To improve its scale-awareness, a modified closure is designed to alleviate the overprediction of convection at high GCM resolutions. Furthermore, results show that the modified closure has the scale-aware ability to suppress the overprediction problem at high GCM resolutions for both MC3E and TWP-ICE.

54 ENVIRONMENTAL SCIENCES↗

Position-dependent matter density probability distribution function

Here, we introduce the position-dependent probability distribution function (PDF) of the smoothed matter field as a cosmological observable. In comparison to the PDF itself, the spatial variation of the position-dependent PDF is simpler to model and has distinct dependence on cosmological parameters. We demonstrate that the position-dependent PDF is characterized by variations in the local mean density, and we compute the linear response of the PDF to the local density using separate universe N-body simulations. The linear response of the PDF to the local density field can be thought of as the linear bias of regions of the matter field selected based on density. We provide a model for the linear response, which accurately predicts our simulation measurements. We also validate our results and test the separate universe consistency relation for the local PDF using global universe simulations. We find excellent agreement between the two, and we demonstrate that the separate universe method gives a lower variance determination of the linear response.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Multiphysics Simulations of Thermal Shock Testing of Nanofibrous High Power Targets

Increase of primary beam power for neutrino beam-lines leads to a reduced lifespan for production targets. New concepts for robust targets are emerging from the field of High Power Targetry (HPT); one idea being investigated by the HPT R&D Group at Fermilab is an electrospun nanofiber target. As part of their evaluation, samples with different densities were sent to the HiRadMat facility at CERN for thermal shock tests. The samples with the higher density, irradiated under a high intensity beam pulse, exhibit major damage at the impact site whereas those with the lower density show no apparent damage. The exact cause of this failure was unclear at the time. In this paper, we present the results of multiphysics simulations of the thermal shock experienced by the nanofiber targets that suggest the failure originates from the reduced permeability of the high density sample to air flow. The air present in the porous target expands due to heating from the beam, but is unable to flow freely in the high density sample, resulting in a larger back pressure that blows apart the nanofiber mat. We close with a discussion on how to further validate this hypothesis.

43 PARTICLE ACCELERATORS↗

Learning to simulate high energy particle collisions from unlabeled data

In many scientific fields which rely on statistical inference, simulations are often used to map from theoretical models to experimental data, allowing scientists to test model predictions against experimental results. Experimental data is often reconstructed from indirect measurements causing the aggregate transformation from theoretical models to experimental data to be poorly-described analytically. Instead, numerical simulations are used at great computational cost. We introduce Optimal-Transport-based Unfolding and Simulation (OTUS), a fast simulator based on unsupervised machine-learning that is capable of predicting experimental data from theoretical models. Without the aid of current simulation information, OTUS trains a probabilistic autoencoder to transform directly between theoretical models and experimental data. Identifying the probabilistic autoencoder’s latent space with the space of theoretical models causes the decoder network to become a fast, predictive simulator with the potential to replace current, computationally-costly simulators. Here, we provide proof-of-principle results on two particle physics examples, Z-boson and top-quark decays, but stress that OTUS can be widely applied to other fields.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Simulations of activities, solubilities, transport properties, and nucleation rates for aqueous electrolyte solutions

This article reviews recent molecular simulation studies of "collective" properties of aqueous electrolyte solutions, specifically free energies and activity coefficients, solubilities, nucleation rates of crystals, and transport coefficients. These are important fundamental properties for biology and geoscience, but also relevant for many technological applications. Their determination from molecular-scale calculations requires large systems and long sampling times, as well as specialized sampling algorithms. As a result, such properties have not typically been taken into account during optimization of force field parameters; thus, they provide stringent tests for the transferability and range of applicability of proposed molecular models. There has been significant progress on simulation algorithms to enable the determination of these properties with good statistical uncertainties. Comparisons of simulation results to experimental data reveal deficiencies shared by many commonly used models. Moreover, there appear to exist specific tradeoffs within existing modeling frameworks, so that good prediction of some properties is linked to poor prediction for specific other properties. For example, non-polarizable models that utilize full charges on the ions generally fail to predict accurately both activity coefficients and solubilities; the concentration dependence of viscosity and diffusivity for these models is also incorrect. Scaled-charge models improve the dynamic properties and could also perform well for solubilities, but fail in the prediction of nucleation rates. Even models that do well at room temperature for some properties generally fail to capture their experimentally observed temperature dependence. Finally, the main conclusion from the present review is that qualitatively new physics will need to be incorporated in future models of electrolyte solutions to allow description of collective properties for broad ranges of concentrations, temperatures, and solvent conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Sky subtraction in an era of low surface brightness astronomy

ABSTRACT The Vera C. Rubin Observatory Wide-Fast Deep sky survey will reach unprecedented surface brightness depths over tens of thousands of square degrees. Surface brightness photometry has traditionally been a challenge. Current algorithms which combine object detection with sky estimation systematically oversubtract the sky, biasing surface brightness measurements at the faint end and destroying or severely compromising low surface brightness light. While it has recently been shown that properly accounting for undetected faint galaxies and the wings of brighter objects can in principle recover a more accurate sky estimate, this has not yet been demonstrated in practice. Obtaining a consistent spatially smooth underlying sky estimate is particularly challenging in the presence of representative distributions of bright and faint objects. In this paper, we use simulations of crowded and uncrowded fields designed to mimic Hyper Suprime-Cam data to perform a series of tests on the accuracy of the recovered sky. Dependence on field density, galaxy type, and limiting flux for detection are all considered. Several photometry packages are utilized: source extractor, gnuastro, and the LSST science pipelines. Each is configured in various modes, and their performance at extreme low surface brightness analysed. We find that the combination of the source extractor software package with novel source model masking techniques consistently produce extremely faint output sky estimates, by up to an order of magnitude, as well as returning high fidelity output science catalogues.

Astronomy & Astrophysics↗

Effect of Internal Structure on Warpage in a Large-Scale Additive Manufacturing Process With Bio-Derived Composites

Extrusion-based large-format additive manufacturing (LFAM) often results in unintended deformation and failures due to thermal residual stress between layers. This LFAM involves a hot molten polymer deposited on a previously deposited and cooled layer, generating a temperature mismatch between the layers. The temperature discrepancy causes a thermal contraction mismatch, generating thermal residual stress. Due to the residual stress, printed structures experience warpage and delamination Therefore, understanding the heat distribution behavior is essential to preventing undesired deformation and failures. The goal of this study is to investigate the effect of infill patterns on heat distribution and deformation in an LFAM system. Wood fiber-reinforced polylactic acid was used as a sustainable and low-cost reinforcement material. A numerical model was developed to predict the temperature and deformation field with thermo-mechanical properties, which were measured by a dynamic mechanical analysis and a thermal expansion test. Simulations were performed on a box geometry with three different infill patterns. The simulation model was verified with temperature data gathered from an infrared camera. The results show good agreement between predicted and measured temperature profiles. The developed simulation model was applied to a roof tray with different infill patterns for a case study. We found that the different thermal mass distributions resulting from the various infill patterns affected the heat distribution and deformation. These findings contribute to a better understanding of the thermal and mechanical behavior of LFAM.

Jo, Eonyeon↗

A Computationally Efficient Linear Semi-Lagrangian Scheme for the Advection of Microphysical Variables in Cloud-Resolving Models

An efficient semi-Lagrangian (SL) numerical scheme for the advection of positive-definite microphysical variables in cloud-resolving models is proposed. The scheme is a linear combination of SL schemes of the first and second order. The proposed scheme is compared with two high-order, monotonic, nonlinear Eulerian schemes, in two 2D tests. In the first test, advection of a positive scalar field with large gradients is performed within complicated idealized steering flows. In the second test, a hail storm is simulated using the 2D Hebrew University Cloud Model, describing the interactions between 15 size distributions of different microphysical quantities (each distribution is described by 43 mass bins). The proposed scheme is computationally efficient, has a low numerical diffusion and a high level of mass conservation accuracy, and preserves the sum of multiple advected variables as well as the linear relationships between the advected scalar variables. Although the proposed SL scheme is not exactly positive definite, the negative values and their number, which may appear only in the case of very strong gradients, are negligible. The scheme produces results similar to those of nonlinear Eulerian advection schemes while reducing computation time by approximately a factor of 10.

54 ENVIRONMENTAL SCIENCES↗

Evaluation of a Potential Groundwater Tracer Test in the Ringold Upper Mud Aquifer at the 100-H Area of the Hanford Site

This document presents an evaluation of a potential groundwater tracer test in the uppermost RUM (Ringold Formation member of Wooded Island – upper mud unit) aquifer in the 100-H Area of the Hanford Site. The results from field electrical resistivity tomography (ERT) investigations, numerical flow and transport (F&T) modeling, coupled ERT-F&T model simulations, and laboratory resin experiments provide the technical basis for evaluating tracer test scenarios that minimize impacts to the 100-HX pump and treat (HX P&T) operations, and maximize hydrologic data acquisitions including the use of advanced surface geophysical techniques for monitoring tracer transport.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

PROTOCALC, a W -band Polarized Calibrator for Cosmic Microwave Background Telescopes: Application to Simons Observatory and CLASS

Current- and next-generation cosmic microwave background (CMB) experiments will measure polarization anisotropies with unprecedented sensitivities. The need for high precision in these measurements underscores the importance of gaining a comprehensive understanding of instrument properties, with a particular emphasis on the study of the beam properties, and especially their polarization characteristics and the measurement of the polarization angle. In this context, a major challenge lies in the scarcity of millimeter polarized astrophysical sources with sufficient brightness and calibration knowledge to meet the stringent accuracy requirements of future CMB missions. This led to the development of a drone-borne calibration source designed for the frequency band centered on approximately 90 GHz, matching a commonly used channel in ground-based CMB measurements. The Prototype Calibrator for Cosmology, PROTOCALC, has undergone thorough in-lab testing, and its properties have been subsequently modeled through simulation software integrated into the standard Simons Observatory analysis pipeline. Moreover, the PROTOCALC system has been tested in the field, having been deployed twice on calibration campaigns with CMB telescopes in the Atacama Desert. The data collected constrain the roll angle of the source with a statistical accuracy of 0$^°_•$045.

79 ASTRONOMY AND ASTROPHYSICS↗

Design study of a combined interferometer and polarimeter for a high-field, compact tokamak

This article is the first design study of a combined interferometer and polarimeter on a compact, high-field, high-density, net-energy tokamak. Recent advances in superconducting technology have made possible designs for compact, high magnetic field fusion power plants, such as ARC [Sorbom et al., Fusion Eng. Des. 100, 378 (2015)], and experiments, such as SPARC [Greenwald et al., PSFC Report No. RR-18-2 (2018)]. These new designs create both challenges and opportunities for plasma diagnostics. The diagnostic proposed in this work, called InterPol, takes advantage of unique opportunities provided by high magnetic field and density to measure both line-averaged density and poloidal magnetic field with a single set of CO 2 and quantum cascade lasers. These measurements will be used for fast density feedback control, constraint of density and safety factor profiles, and density fluctuation measurements. Synthetic diagnostic testing using a model machine geometry, called MQ1 (Mission Q ≥ 1), and profiles simulated with Tokamak Simulation Code indicate that InterPol will be able to measure steady state density and poloidal magnetic field, as well as fluctuations caused by toroidal Alfven eigenmodes and other phenomena on a high-field compact tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗