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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Irradiation of an enriched uranium (NaCl-UCl 3 ) fuel salt capsule, summary of nondestructive post-irradiation examinations, and solidification modeling

Molten salt reactors (MSRs) are gaining attention due to their potential for safe, carbon-free nuclear energy with reduced waste. However, licensing these reactors is hindered by limited experimental data on fueled salts, both pre- and post-irradiation. Here, the novel Molten-salt Research Temperature-controlled Irradiation (MRTI) vehicle was designed to address knowledge gaps in irradiating enriched‑uranium-bearing salts. The MRTI experiment irradiated 13 cm 3 of UCl₃-NaCl (93 % U-235) salt in the Neutron Radiography (NRAD) Reactor, achieving a burnup of 0.196 GWd/MTU over 390 h. Despite a heater failure, the thermocouple data suggested fission heat kept the salt molten. The MRTI assembly was remotely disassembled for nondestructive post-irradiation examination (PIE), which included precision gamma-ray scanning (PGS) and neutron radiography. Radiograph images showed the location of the salt and the solidification pattern. PGS results provided an early indication that activated materials of construction did not increase in relative intensity in the region of the capsule where the salt was in contact with the material of construction. Additionally, PGS data showed the presence of several gamma emitting fission products, such as Nb-95, Zr-95, Ru-103, Ce-141, and La-140, where Ru-103 had the highest counts at the bottom of the capsule. Computational fluid dynamics modeling supported observations of salt solidification patterns and proved to be a valuable tool to inform PIE activities. The MRTI experiment has thus far provided critical data and lessons learned for fuel salt PIE activities, essential for advancing the technical readiness of MSRs.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

A Massively Parallel Implementation of the CCSD(T) Method Using the Resolution-of-the-Identity Approximation and a Hybrid Distributed/Shared Memory Parallelization Model

In this work, a parallel algorithm is described for the coupled-cluster singles and doubles method augmented with a perturbative correction for triple excitations [CCSD(T)] using the resolution-of-the-identity (RI) approximation for two-electron repulsion integrals (ERIs). The algorithm bypasses the storage of four-center ERIs by adopting an integral-direct strategy. The CCSD amplitude equations are given in a compact quasi-linear form by factorizing them in terms of amplitude-dressed three-center intermediates. A hybrid MPI/OpenMP parallelization scheme is employed, which uses the OpenMP-based shared memory model for intranode parallelization and the MPI-based distributed memory model for internode parallelization. Parallel efficiency has been optimized for all terms in the CCSD amplitude equations. Two different algorithms have been implemented for the rate-limiting terms in the CCSD amplitude equations that entail and -scaling computational costs, where N O and N V denote the number of correlated occupied and virtual orbitals, respectively. One of the algorithms assembles the four-center ERIs requiring N V 4 and N O 2 N V 2 -scaling memory costs in a distributed manner on a number of MPI ranks, while the other algorithm completely bypasses the assembling of quartic memory-scaling ERIs and thus largely reduces the memory demand. It is demonstrated that the former memory-expensive algorithm is faster on a few hundred cores, while the latter memory-economic algorithm shows a better strong scaling in the limit of a few thousand cores. The program is shown to exhibit a near-linear scaling, in particular for the compute-intensive triples correction step, on up to 8000 cores. The performance of the program is demonstrated via calculations involving molecules with 24–51 atoms and up to 1624 atomic basis functions. As the first application, the complete basis set (CBS) limit for the interaction energy of the π-stacked uracil dimer from the S66 data set has been investigated. This work reports the first calculation of the interaction energy at the CCSD(T)/aug-cc-pVQZ level without local orbital approximation. The CBS limit for the CCSD correlation contribution to the interaction energy was found to be -8.01 kcal/mol, which agrees very well with the value -7.99 kcal/mol reported by Schmitz, Hättig, and Tew [ Phys. Chem. Chem. Phys. 2014 , 16 , 22167-22178]. The CBS limit for the total interaction energy was estimated to be -9.64 kcal/mol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Physical mechanism and numerical simulation of the inception of the lightning upward leader

The upward leader is a key physical process of the leader progression model of lightning shielding. The inception mechanism and criterion of the upward leader need further understanding and clarification. Based on leader discharge theory, this paper proposes the critical electric field intensity of the stable upward leader (CEFISUL) and characterizes it by the valve electric field intensity on the conductor surface, E{sub L}, which is the basis of a new inception criterion for the upward leader. Through numerical simulation under various physical conditions, we verified that E{sub L} is mainly related to the conductor radius, and data fitting yields the mathematical expression of E{sub L}. We further establish a computational model for lightning shielding performance of the transmission lines based on the proposed CEFISUL criterion, which reproduces the shielding failure rate of typical UHV transmission lines. The model-based calculation results agree well with the statistical data from on-site operations, which show the effectiveness and validity of the CEFISUL criterion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2011

Mechanism and computational model for Lyman-{alpha}-radiation generation by high-intensity-laser four-wave mixing in Kr-Ar gas

We present a theoretical model combined with a computational study of a laser four-wave mixing process under optical discharge in which the non-steady-state four-wave amplitude equations are integrated with the kinetic equations of initial optical discharge and electron avalanche ionization in Kr-Ar gas. The model is validated by earlier experimental data showing strong inhibition of the generation of pulsed, tunable Lyman-{alpha} (Ly-{alpha}) radiation when using sum-difference frequency mixing of 212.6 nm and tunable infrared radiation (820-850 nm). The rigorous computational approach to the problem reveals the possibility and mechanism of strong auto-oscillations in sum-difference resonant Ly-{alpha} generation due to the combined effect of (i) 212.6-nm (2+1)-photon ionization producing initial electrons, followed by (ii) the electron avalanche dominated by 843-nm radiation, and (iii) the final breakdown of the phase matching condition. The model shows that the final efficiency of Ly-{alpha} radiation generation can achieve a value of {approx}5x10{sup -4} which is restricted by the total combined absorption of the fundamental and generated radiation.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

Total Absorption Spectroscopy Study of ⁹²Rb Decay: A Major Contributor to Reactor Antineutrino Spectrum Shape

The accurate determination of the emitted reactor antineutrino flux is still a major challenge for actual and future neutrino experiments at reactors, especially after the evidence of a disagreement between the measured antineutrino energy spectrum by Double Chooz, Daya Bay, and Reno and calculated antineutrino spectra obtained from the conversion of the unique integral beta spectra measured at the ILL reactor. Using nuclear data to compute reactor antineutrino spectra may help understanding this bias, with the study of the underlying nuclear physics. Summation calculations allow identifying a list of nuclei that contribute importantly to the antineutrino energy spectra emitted after the fission of ²³⁹ , ²⁴¹Pu and ²³⁵ , ²³⁸U, and whose beta decay properties might deserve new measurements. Among these nuclei, ⁹²Rb exhausts by itself about 16% of of the antineutrino energy spectrum emitted by Pressurized Water Reactors in the 5 to 8 MeV range. In this Letter, we report new Total Absorption Spectroscopy (TAS) results for this important contributor. The obtained beta feeding from ⁹²Rb shows beta intensity unobserved before in the 4.5 to 5.5 MeV energy region and gives a ground state to ground state branch of 87.5 % ± 3%. These new data induce a dramatic change in recent summation calculations where a 51% GS to GS branch was considered for ⁹²Rb, increasing the summation antineutrino spectrum in the region nearby the observed bias.The new data still have an important impact on other summation calculations in which more recent data were considered

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2012

Determining the Effectiveness of Incorporating Geographic Information Into Vehicle Performance Algorithms

This thesis presents a research study using one year of driving data obtained from plug-in hybrid electric vehicles (PHEV) located in Sacramento and San Francisco, California to determine the effectiveness of incorporating geographic information into vehicle performance algorithms. Sacramento and San Francisco were chosen because of the availability of high resolution (1/9 arc second) digital elevation data. First, I present a method for obtaining instantaneous road slope, given a latitude and longitude, and introduce its use into common driving intensity algorithms. I show that for trips characterized by >40m of net elevation change (from key on to key off), the use of instantaneous road slope significantly changes the results of driving intensity calculations. For trips exhibiting elevation loss, algorithms ignoring road slope overestimated driving intensity by as much as 211 Wh/mile, while for trips exhibiting elevation gain these algorithms underestimated driving intensity by as much as 333 Wh/mile. Second, I describe and test an algorithm that incorporates vehicle route type into computations of city and highway fuel economy. Route type was determined by intersecting trip GPS points with ESRI StreetMap road types and assigning each trip as either city or highway route type according to whichever road type comprised the largest distance traveled. The fuel economy results produced by the geographic classification were compared to the fuel economy results produced by algorithms that assign route type based on average speed or driving style. Most results were within 1 mile per gallon ({approx}3%) of one another; the largest difference was 1.4 miles per gallon for charge depleting highway trips. The methods for acquiring and using geographic data introduced in this thesis will enable other vehicle technology researchers to incorporate geographic data into their research problems.

58 GEOSCIENCES↗
DOE OSTI2012

Accelerating Satellite Image Based Large-Scale Settlement Detection with GPU

Computer vision algorithms for image analysis are often computationally demanding. Application of such algorithms on large image databases\---- such as the high-resolution satellite imagery covering the entire land surface, can easily saturate the computational capabilities of conventional CPUs. There is a great demand for vision algorithms running on high performance computing (HPC) architecture capable of processing petascale image data. We exploit the parallel processing capability of GPUs to present a GPU-friendly algorithm for robust and efficient detection of settlements from large-scale high-resolution satellite imagery. Feature descriptor generation is an expensive, but a key step in automated scene analysis. To address this challenge, we present GPU implementations for three different feature descriptors\-- multiscale Historgram of Oriented Gradients (HOG), Gray Level Co-Occurrence Matrix (GLCM) Contrast and local pixel intensity statistics. We perform extensive experimental evaluations of our implementation using diverse and large image datasets. Our GPU implementation of the feature descriptor algorithms results in speedups of 220 times compared to the CPU version. We present an highly efficient settlement detection system running on a multiGPU architecture capable of extracting human settlement regions from a city-scale sub-meter spatial resolution aerial imagery spanning roughly 1200 sq. kilometers in just 56 seconds with detection accuracy close to 90\%. This remarkable speedup gained by our vision algorithm maintaining high detection accuracy clearly demonstrates that such computational advancements clearly hold the solution for petascale image analysis challenges.

Patlolla, Dilip Reddy↗
DOE OSTI2011

Atlas-Based Segmentation Improves Consistency and Decreases Time Required for Contouring Postoperative Endometrial Cancer Nodal Volumes

Purpose: Accurate target delineation of the nodal volumes is essential for three-dimensional conformal and intensity-modulated radiotherapy planning for endometrial cancer adjuvant therapy. We hypothesized that atlas-based segmentation ('autocontouring') would lead to time savings and more consistent contours among physicians. Methods and Materials: A reference anatomy atlas was constructed using the data from 15 postoperative endometrial cancer patients by contouring the pelvic nodal clinical target volume on the simulation computed tomography scan according to the Radiation Therapy Oncology Group 0418 trial using commercially available software. On the simulation computed tomography scans from 10 additional endometrial cancer patients, the nodal clinical target volume autocontours were generated. Three radiation oncologists corrected the autocontours and delineated the manual nodal contours under timed conditions while unaware of the other contours. The time difference was determined, and the overlap of the contours was calculated using Dice's coefficient. Results: For all physicians, manual contouring of the pelvic nodal target volumes and editing the autocontours required a mean {+-} standard deviation of 32 {+-} 9 vs. 23 {+-} 7 minutes, respectively (p = .000001), a 26% time savings. For each physician, the time required to delineate the manual contours vs. correcting the autocontours was 30 {+-} 3 vs. 21 {+-} 5 min (p = .003), 39 {+-} 12 vs. 30 {+-} 5 min (p = .055), and 29 {+-} 5 vs. 20 {+-} 5 min (p = .0002). The mean overlap increased from manual contouring (0.77) to correcting the autocontours (0.79; p = .038). Conclusion: The results of our study have shown that autocontouring leads to increased consistency and time savings when contouring the nodal target volumes for adjuvant treatment of endometrial cancer, although the autocontours still required careful editing to ensure that the lymph nodes at risk of recurrence are properly included in the target volume.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2023

LISE$^{++}_{cute}$, the latest generation of the LISE ++ package, to simulate rare isotope production with fragment-separators

The LISE ++ software for fragment separator simulations has undergone a major update. The package, widely used at rare isotope beam facilities, can be used to predict intensities and purities of rare isotope beams and for planning and running of experiments using in-flight separators. It is especially useful for radioactive beam production as its results can be quickly compared to on-line data. The LISE ++ package has been ported to the Qt-framework in order to support modern compilers and computing methods. The benefits include 64-bit operation and LISE ++ availability on three different platforms: Windows, MacOS and Linux. In addition, the porting provides the ability to take advantage of future computational improvements. The updated package is named LISE$^{++}_{cute}$ to indicate a major step forward from the previous Borland-based versions. In addition to porting to the new platform, new main features and modifications have been added, mostly devoted to improving models and implementing other codes involved in rare isotope production at FRIB. Finally, a summary of modifications completed to improve the functionality of the code are discussed in this work, as well as future plans.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Event generators for high-energy physics experiments

We provide an overview of the status of Monte-Carlo event generators for high-energy particle physics. Guided by the experimental needs and requirements, we highlight areas of active development, and opportunities for future improvements. Particular emphasis is given to physics models and algorithms that are employed across a variety of experiments. These common themes in event generator development lead to a more comprehensive understanding of physics at the highest energies and intensities, and allow models to be tested against a wealth of data that have been accumulated over the past decades. A cohesive approach to event generator development will allow these models to be further improved and systematic uncertainties to be reduced, directly contributing to future experimental success. Event generators are part of a much larger ecosystem of computational tools. They typically involve a number of unknown model parameters that must be tuned to experimental data, while maintaining the integrity of the underlying physics models. Making both these data, and the analyses with which they have been obtained accessible to future users is an essential aspect of open science and data preservation. It ensures the consistency of physics models across a variety of experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Nonlinear Optimization Methods for Large-Scale Learning

Future advances in large-scale machine learning depend heavily on the availability of new and more powerful nonlinear optimization methods. The goal of this project is to address this challenge by designing new optimization algorithms that can deal with the scale, nonlinearity and stochasticity arising in machine learning models. Our research will provide the theoretical foundations for the new methods, and will involve intensive numerical testing on state-of-the-art machine learning systems. The project is organized into three interrelated projects that constitute a broad research agenda in the area of large-scale stochastic optimization for data science.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Development of a phonon-based sampling method for thermal neutron scattering data

Simulations of reactor systems require access to accurate nuclear data. For many systems, thermal neutron scattering data can have large effects on the eigenvalue and neutron flux distributions. Inelastic thermal neutron scattering can excite or de-excite vibrational, rotational, and translational modes in a material, so thermal scattering evaluations are often obtained by summing over the number of phonons created/destroyed by a scattering event. In recent years, the thermal scattering cross sections and angular distributions have greatly improved in accuracy, but the format in which this data is delivered to simulation codes has remained virtually unchanged. Thermal scattering data is typically either compiled into large tables and sorted by incoming neutron energy, outgoing neutron energy, scattering angle, and material temperature, or represented as cumulative distribution functions of momentum exchange or energy exchange. Either method can be quite memory intensive when fine bins are used. In an effort to decrease the amount of space that processed thermal scattering data requires, an alternate format is proposed. The phonon-based sampling method introduced here can sample the number of phonons excited for each collision, the change in neutron energy, and the scattering angle while avoiding pre-computed angular bins and limiting the amount of data that is dependent on incoming energy. Through this method, the generation and storage of large interpolation tables is avoided, which could have benefits in both memory storage and accuracy. While the initial implementation of this method is slower than current alternatives, it is significantly more resistant to grid coarseness errors and has good potential for improvement. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

End-to-end online performance data capture and analysis for scientific workflows

With the increased prevalence of employing workflows for scientific computing and a push towards exascale computing, it has become paramount that we are able to analyze characteristics of scientific applications to better understand their impact on the underlying infrastructure and vice-versa. Such analysis can help drive the design, development, and optimization of these next generation systems and solutions. Here, we present the architecture, integrated with existing well-established and newly developed tools, to collect online performance statistics of workflow executions from various, heterogeneous sources and publish them in a distributed database (Elasticsearch). Using this architecture, we are able to correlate online workflow performance data, with data from the underlying infrastructure, and present them in a useful and intuitive way via an online dashboard. We have validated our approach by executing two classes of real-world workflows, both under normal and anomalous conditions. The first is an I/O-intensive genome analysis workflow; the second, a CPU- and memory-intensive material science workflow. Based on the data collected in Elasticsearch, we are able to demonstrate that we can correctly identify anomalies that we injected. The resulting end-to-end data collection of workflow performance data is an important resource of training data for automated machine learning analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Inversion of coherent surface scattering images via deep learning network

Coherent surface scattering imaging is a powerful tool for imaging a surface/interface of a thin nanostructure deposited on an opaque substrate. A mathematical conversion of an object image from a scattering pattern is essential for coherent surface scattering imaging to visualize structures of specimens. It has been achieved by using phase retrieval algorithms requiring oversampling in scattering patterns and employing alternating projection approaches. It is a computationally challenging and time-consuming process. In this paper, we demonstrate CSSI-NN, which is a deep learning neural network model to predict images of objects from scattering intensities in coherent surface scattering imaging. This model allowing for the instant outcome from scattering patterns would be tremendously beneficial not only for effective experiments but also for data analysis of phase retrieval.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

A Lagged Diffusivity Method for Computing Total Variation Regularized Fluid Flow

There is a great deal of recent work using optical flow methods for analyzing the dynamics of fluids, and much attention has been paid to developing regularization schemes for variational approaches that are consistent with the physics of fluid flow. In this work we show that using total variation to regularize two different kinds of optical flow functionals leads to very good flow field reconstructions for the kinds of dynamical structures that appear in fluid flow. The first optical flow functional is the classical component-based conservation of intensity, and the second approach is to reconstruct the potential of the flow, rather than the flow components. In the two cases, total variation regularization corresponds to imposing different scientific priors on the solution, which we compute using a variation of the Lagged Diffusivity Fixed Point Iteration. Numerical details are presented, and the results are demonstrated on synthetic data and on a data-driven oceanic flow model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Mie Scattering Analysis

Mie scattering theory describes how light scatters on a particle cloud when the particle size is approximately the same as the wavelength of scattered light. Assuming the particles generated in an ejecta experiment are spherical, one goal of such experiments is to determine the particle radii distribution, which in theory can be done by measuring intensities of scattered light at several different angles. The purpose of this report is the present an assessment of how closely the analysis of Mie scattering data in practice rejects the theoretical possibilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Scientific Literature Mining for Experiment Information in Materials Design

Scientific literature is a plethora of documents written in natural language, where the agglomeration of well-cogitated knowledge is inextricably intertwined. The large-scale knowledge source might have the great potential to derive valuable information when text mined and untangled. Typically, scientists obtain preliminary knowledge from research papers prior to beginning a new experiment. Researchers manually harvest experimental information, which is labor-intensive and error prone. To reduce manual effort and human errors, this project aims to build a system for data collection from literature that supplements other data sources so users can look up needed information while preparing experiments or analyzing results.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Data-Intensive Visual Analysis for Cyber Security

Protecting communications networks against attacks where the aim is to steal information, disrupt order, or harm critical infrastructure can require the collection and analysis of staggering amounts of data. The ability to detect and respond to threats quickly is a paramount concern across sectors, and especially for critical government, utility and financial networks. Yet detecting emerging or incipient threats in immense volumes of network traffic requires new computational and analytic approaches. Network security increasingly requires cooperation between human analysts able to spot suspicious events through means such as data visualization and automated systems that process streaming network data in near real-time to triage events so that human analysts are best able to focus their work.

Pike, William A.↗