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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Space-Time Finite Element Tensor Network Approach for the Time-Dependent Convection–Diffusion–Reaction Equation with Variable Coefficients

In this paper, we present a new space-time Galerkin-like method, where we treat the discretization of spatial and temporal domains simultaneously. This method utilizes a mixed formulation of the tensor-train (TT) and quantized tensor-train (QTT) (please see Section Tensor-Train Decomposition), designed for the finite element discretization (Q1-FEM) of the time-dependent convection–diffusion–reaction (CDR) equation. We reformulate the assembly process of the finite element discretized CDR to enhance its compatibility with tensor operations and introduce a low-rank tensor structure for the finite element operators. Recognizing the banded structure inherent in the finite element framework’s discrete operators, we further exploit the QTT format of the CDR to achieve greater speed and compression. Additionally, we present a comprehensive approach for integrating variable coefficients of CDR into the global discrete operators within the TT/QTT framework. The effectiveness of the proposed method, in terms of memory efficiency and computational complexity, is demonstrated through a series of numerical experiments, including a semi-linear example.

convection–diffusion–reaction equation↗
DOE OSTI2021

The Mini-CAPTAIN liquid argon time projection chamber

This manuscript describes the commissioning of the Mini-CAPTAIN liquid argon detector in a neutron beam at the Los Alamos Neutron Science Center (LANSCE), which led to a first measurement of high-energy neutron interactions in argon. The Mini-CAPTAIN detector consists of a Time Projection Chamber (TPC) with an accompanying photomultiplier tube (PMT) array sealed inside a liquid-argon-filled cryostat. The liquid argon is constantly purified and recirculated in a closed-loop cycle during operation. The specifications and assembly of the detector subsystems and an overview of their performance in a neutron beam are reported.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1993

Load Balancing Using Time Series Analysis for Soft Real Time Systems with Statistically Periodic Loads

This thesis provides design and analysis of techniques for global load balancing on ensemble architectures running soft-real-time object-oriented applications with statistically periodic loads. It focuses on estimating the instantaneous average load over all the processing elements. The major contribution is the use of explicit stochastic process models for both the loading and the averaging itself. These models are exploited via statistical time-series analysis and Bayesian inference to provide improved average load estimates, and thus to facilitate global load balancing. This thesis explains the distributed algorithms used and provides some optimality results. It also describes the algorithms' implementation and gives performance results from simulation. These results show that the authors' techniques allow more accurate estimation of the global system loading, resulting in fewer object migrations than local methods. The authors' method is shown to provide superior performance, relative not only to static load-balancing schemes but also to many adaptive load-balancing methods. Results from a preliminary analysis of another system and from simulation with a synthetic load provide some evidence of more general applicability.

LOAD CONTROL↗
NASA NTRS1993

Load Balancing Using Time Series Analysis for Soft Real Time Systems with Statistically Periodic Loads

This thesis provides design and analysis of techniques for global load balancing on ensemble architectures running soft-real-time object-oriented applications with statistically periodic loads. It focuses on estimating the instantaneous average load over all the processing elements. The major contribution is the use of explicit stochastic process models for both the loading and the averaging itself. These models are exploited via statistical time-series analysis and Bayesian inference to provide improved average load estimates, and thus to facilitate global load balancing. This thesis explains the distributed algorithms used and provides some optimality results. It also describes the algorithms' implementation and gives performance results from simulation. These results show that our techniques allow more accurate estimation of the global system load ing, resulting in fewer object migration than local methods. Our method is shown to provide superior performance, relative not only to static load-balancing schemes but also to many adaptive methods.

REAL TIME↗
DOE OSTI2023

Tree-level Unitarity in $$ \textrm{SU}{(2)}_L\times \textrm{U}{(1)}_Y\times \textrm{U}{(1)}_{Y^{\prime }} $$ Models

Abstract In models with a U(1) gauge extension beyond the Standard Model, one can derive sum rules for the couplings of the theory that are a consequence of tree-level unitarity. In this paper, we provide a comprehensive list of coupling sum rules for a general$$ \textrm{SU}{(2)}_L\times \textrm{U}{(1)}_Y\times \textrm{U}{(1)}_{Y^{\prime }} $$ SU 2 L × U 1 Y × U 1 Y ′ gauge theory coupled to an arbitrary set of fermion and scalar multiplets. These results are of particular interest for models of dark matter that employ an extended gauge sector mediated by a new (dark)Z ′ gauge boson. For the case of a minimal extension of the Standard Model with a$$ \textrm{U}{(1)}_{Y^{\prime }} $$ U 1 Y ′ gauge boson, we clarify the definitions of the weak mixing angle and the electroweakρparameter. We demonstrate the utility of a generalizedρparameter (denoted byρ ′ ) whose definition naturally follows from the unitarity sum rules developed in this paper.

Physics↗
DOE OSTI2025

Physics-informed latent neural operator for real-time predictions of time-dependent parametric PDEs

Deep operator network (DeepONet) has shown significant promise as surrogate models for systems governed by partial differential equations (PDEs), enabling accurate mappings between infinite-dimensional function spaces. However, when applied to systems with high-dimensional input-output mappings arising from large numbers of spatial and temporal collocation points, these models often require heavily overparameterized networks, leading to long training times. Latent DeepONet addresses some of these challenges by introducing a two-step approach: first learning a reduced latent space using a separate model, followed by operator learning within this latent space. While efficient, this method is inherently data-driven and lacks mechanisms for incorporating physical laws, limiting its robustness and generalizability in data-scarce settings. Here, in this work, we propose PI-Latent-NO, a physics-informed latent neural operator framework that integrates governing physics directly into the learning process. Our architecture features two coupled DeepONets trained end-to-end: a Latent-DeepONet that learns a low-dimensional representation of the solution, and a Reconstruction-DeepONet that maps this latent representation back to the physical space. By embedding PDE constraints into the training via automatic differentiation, our method eliminates the need for labeled training data and ensures physics-consistent predictions. The proposed framework is both memory and compute-efficient, exhibiting near-constant scaling with problem size and demonstrating significant speedups over traditional physics-informed operator models. We validate our approach on a range of parametric PDEs, showcasing its accuracy, scalability, and suitability for real-time prediction in complex physical systems.

Latent representations↗
DOE OSTI2021

Natural Charge-Transfer Analysis: Eliminating Spurious Charge-Transfer States in Time-Dependent Density Functional Theory via Diabatization, with Application to Projection-Based Embedding

For many types of vertical excitation energies, linear-response time-dependent density functional theory (LR-TDDFT) offers a useful degree of accuracy combined with unrivaled computational efficiency, although charge-transfer excitation energies are often systematically and dramatically underestimated, especially for large systems and those that contain explicit solvent. As a result, low energy electronic spectra of solution-phase chromophores often contain tens to hundreds of spurious charge-transfer states, making LR-TDDFT needlessly expensive in bulk solution. More nefariously, intensity borrowing by the low-energy charge-transfer states can affect intensities of the valence excitations even if those excitation energies are accurate. At higher excitation energies, it is difficult to distinguish spurious CT states from genuine charge-transfer-to-solvent (CTTS) excitations. In this work, we introduce an automated diabatization scheme that enables fast and effective screening of the CTTS acceptor space in bulk solution. Our procedure introduces the concept of “natural charge-transfer orbitals”, which provide a means to isolate characteristic pairs of orbitals that are most likely to participate in a CTTS excitation. The projection of these orbitals onto solvent-centered virtual orbitals provides a criterion for defining the most important solvent molecules in a given excitation. We apply this method to analyze an ab initio molecular dynamics (MD) trajectory of I-(aq) and report the lowest-energy CTTS band in the absorption spectrum. Our results are in excellent agreement with experimental measurements for bulk I-(aq), and only one-third of the water molecules in the I-(H2O)96 simulation cell need to be described with LR-TDDFT in order to obtain excitation energies that are converged to < 0.1 eV. The tools introduced herein will improve the accuracy, efficiency, and usability of LR-TDDFT in solution-phase environments

Carter-Fenk, Kevin D.↗
DOE OSTI2021

Graph Neural Network for Object Reconstruction in Liquid Argon Time Projection Chambers

This paper presents a graph neural network (GNN) technique for low-level reconstruction of neutrino interactions in a Liquid Argon Time Projection Chamber (LArTPC). GNNs are still a relatively novel technique, and have shown great promise for similar reconstruction tasks in the LHC. In this paper, a multihead attention message passing network is used to classify the relationship between detector hits by labelling graph edges, determining whether hits were produced by the same underlying particle, and if so, the particle type. The trained model is 84% accurate overall, and performs best on the EM shower and muon track classes. The model’s strengths and weaknesses are discussed, and plans for developing this technique further are summarised.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Overview of the distributed image processing infrastructure to produce the Legacy Survey of Space and Time

The Vera C. Rubin Observatory is preparing to execute the most ambitious astronomical survey ever attempted, the Legacy Survey of Space and Time (LSST). Currently the final phase of construction is under way in the Chilean Andes, with the Observatory’s ten-year science mission scheduled to begin in 2025. Rubin’s 8.4-meter telescope will nightly scan the southern hemisphere collecting imagery in the wavelength range 320–1050 nm covering the entire observable sky every 4 nights using a 3.2 gigapixel camera, the largest imaging device ever built for astronomy. Automated detection and classification of celestial objects will be performed by sophisticated algorithms on high-resolution images to progressively produce an astronomical catalog eventually composed of 20 billion galaxies and 17 billion stars and their associated physical properties. In this article we present an overview of the system currently being constructed to perform data distribution as well as the annual campaigns which reprocess the entire image dataset collected since the beginning of the survey. These processing campaigns will utilize computing and storage resources provided by three Rubin data facilities (one in the US and two in Europe). Each year a Data Release will be produced and disseminated to science collaborations for use in studies comprising four main science pillars: probing dark matter and dark energy, taking inventory of solar system objects, exploring the transient optical sky and mapping the Milky Way. Also presented is the method by which we leverage some of the common tools and best practices used for management of large-scale distributed data processing projects in the high energy physics and astronomy communities. We also demonstrate how these tools and practices are utilized within the Rubin project in order to overcome the specific challenges faced by the Observatory.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Time-of-flight vs time-of-arrival in neutron spectroscopic measurements for high energy density plasmas

The neutron time-of-flight (nToF) diagnostic technique has a lengthy history in Inertial Confinement Fusion (ICF) and High Energy Density (HED) Science experiments. Its initial utility resulted from the simple relationship between the full width half maximum of the fusion peak signal in a distant detector and the burn averaged conditions of an ideal plasma producing the flux [Lehner and Pohl, Z. Phys. 207, 83–104 (1967)]. More recent precision measurements [Gatu-Johnson et al., Phys. Rev. E 94(8), 021202 (2016)] and theoretical studies [Munro, Nucl. Fusion 56, 035001 (2016)] have shown the spectrum to be more subtle and complicated, driving the desire for an absolute calibration of the spectrum to disambiguate plasma dynamics from the conditions producing thermonuclear reactions. In experiments where the neutron production history is not well measured, but the neutron signal is preceded by a concomitant flux of photons, the spectrum can be in situ calibrated using a set of collinear detectors to obtain a true “time-of-flight” measurement. This article presents the motivation and overview of this technique along with estimates of the experimental precision needed to make useful measurements in existing and future nToF systems such as the pulsed power Z-machine located in Albuquerque, NM, at Sandia National Laboratories.

Fusion experiments↗
DOE OSTI2024

Adaptive time stepping for the two-time integro-differential Kadanoff-Baym equations

The nonequilibrium Green's function gives access to one-body observables for quantum systems. Of particular interest are quantities such as density, currents, and absorption spectra which are important for interpreting experimental results in quantum transport and spectroscopy. We present an integration scheme for the Green's function's equations of motion, the Kadanoff-Baym equations (KBE), which is both adaptive in the time integrator step size and method order as well as the history integration order. We analyze the importance of solving the KBE self-consistently and show that adapting the order of history integral evaluation is important for obtaining accurate results. To examine the efficiency of our method, we compare runtimes to a state-of-the-art fixed time step integrator for several test systems and show an order of magnitude speedup at similar levels of accuracy. Published by the American Physical Society 2024

97 MATHEMATICS AND COMPUTING↗