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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 OSTI2024

A High-Order Eulerian–Lagrangian Runge–Kutta Finite Volume (EL–RK–FV) Method for Scalar Nonlinear Conservation Laws

Abstract We present a class of high-order Eulerian–Lagrangian Runge–Kutta finite volume methods that can numerically solve Burgers’ equation with shock formations, which could be extended to general scalar conservation laws. Eulerian–Lagrangian (EL) and semi-Lagrangian (SL) methods have recently seen increased development and have become a staple for allowing large time-stepping sizes. Yet, maintaining relatively large time-stepping sizes post shock formation remains quite challenging. Our proposed scheme integrates the partial differential equation on a space-time region partitioned by linear approximations to the characteristics determined by the Rankine–Hugoniot jump condition. We trace the characteristics forward in time and present a merging procedure for the mesh cells to handle intersecting characteristics due to shocks. Following this partitioning, we write the equation in a time-differential form and evolve with Runge–Kutta methods in a method-of-lines fashion. High-resolution methods such as ENO and WENO-AO schemes are used for spatial reconstruction. Extension to higher dimensions is done via dimensional splitting. Numerical experiments demonstrate our scheme’s high-order accuracy and ability to sharply capture post-shock solutions with large time-stepping sizes.

Chen, Jiajie↗
DOE OSTI2022

Design and validation of a gamma-ray scanning system for measuring irradiated nuclear fuel

We report a prototype gamma-ray scanning system was designed to perform post-irradiation measurements of nuclear fuel at Idaho National Laboratory (INL). The system is composed of a coaxial high-purity germanium (HPGe) detector, a collimator, and mechanical positioning stages that translate the fuel sample across the front of the collimator. This paper documents the design process, modeling and the laboratory characterization performed to validate the system. The modeling of the system was done using the Monte Carlo N-Particle code with vendor-supplied design specifications, dimensional measurements, and x-ray radiographs of the HPGe detector. The characterization included measurements of calibrated radiation sources in different geometries, and calculations for absolute efficiency and dead time. Benchmark measurements were performed scanning an irradiated fuel rodlet containing ten pellets of 4.9% enriched UO2 in zirconium alloy. These results were compared to simulated spectra to further help characterize the detector model. One goal of the system is to determine the number of fissions per gram of UO2 in the fuel; comparison of the results from this prototype system's assay of the irradiated fuel rodlet are in agreement with previously estimated results.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2022

Preparation of Actinide Targets at Oregon State University

In this paper, we describe the preparation of actinide targets at Oregon State University. The preparation of the actinide fluorides is done by an aqueous precipitation procedure with yields of greater than 90%. A dual glove box system is used for the preparation of the fluorides of the high specific activity actinides and the subsequent vapor deposition. We compare and contrast targets made by vapor deposition and molecular plating. We discuss some new data on the structure of actinide targets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Detecting anomalous packets in network transfers: investigations using PCA, autoencoder and isolation forest in TCP

Large-scale scientific workflows rely heavily on high-performance file transfers. These transfers require strict quality parameters such as guaranteed bandwidth, no packet loss or data duplication. To have successful file transfers, methods such as predetermined thresholds and statistical analysis need to be done to determine abnormal patterns. Network administrators routinely monitor and analyze network data for diagnosing and alleviating these, making decisions based on their experience. However, as networks grow and become complex, monitoring large data files and quickly processing them, makes it improbable to identify errors and rectify these. Abnormal file transfers have been classified by simply setting alert thresholds, via tools such as PerfSonar and TCP statistics (Tstat). This paper investigates the feasibility of unsupervised feature extraction methods for identifying network anomaly patterns with three unsupervised classification methods—principal component analysis, autoencoder and isolation forest. Here, we collect file transfer statistics from two experiment sets—synthetic iPerf generated traffic and 1000 Genome workflow runs, with synthetically introduced anomalies. Our results show that while PCA and a simple autoencoder finds it difficult to detect clusters, the tree-variant isolation forest is able to identify anomalous packets by breaking down TCP traces into tree classes early.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

On the closedness and geometry of tensor network state sets

Tensor network states (TNS) are a powerful approach for the study of strongly correlated quantum matter. The curse of dimensionality is addressed by parametrizing the many-body state in terms of a network of partially contracted tensors. These tensors form a substantially reduced set of effective degrees of freedom. In practical algorithms, functionals like energy expectation values or overlaps are optimized over certain sets of TNS. Concerning algorithmic stability, it is important whether the considered sets are closed because, otherwise, the algorithms may approach a boundary point that is outside the TNS set and tensor elements diverge. Here we discuss the closedness and geometries of TNS sets, and we propose regularizations for optimization problems on non-closed TNS sets. We show that sets of matrix product states (MPS) with open boundary conditions, tree tensor network states, and the multiscale entanglement renormalization ansatz are always closed, whereas sets of translation-invariant MPS with periodic boundary conditions (PBC), heterogeneous MPS with PBC, and projected entangled pair states are generally not closed. The latter is done using explicit examples like the W state, states that we call two-domain states, and fine-grained versions thereof.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Classical and quantum description of a periodically driven multi-photon anharmonic oscillator

The Hamiltonian and hence the relevant equations of motion involving the dynamics of a driven classical anharmonic oscillator of 2m-th anaharmonicity are constructed. In order to derive the model of a driven multi-photon quantum anharmonic oscillator, we neglect the non-conserving energy terms. Assuming the periodical nature of the driven/forcing term, the dynamical nature of the field operators are expressed in terms of the coupling constant, excitation/photon number and the driven parameters. The solutions are found useful for investigating the squeezing effects and the antibunching of photons of the radiation field prepared in the initial thermal/Fock states. The squeezing effects of the radiation field is found impossible. However, a clear signature of the antibunching of photons is exhibited. It corroborates the fact that the presence of one nonclassical phenomenon does not warrant the presence of the second one. The solutions presented here are exact analytical in nature. Nevertheless, a detailed investigation on the driven quantum anharmonic oscillator is not done before. The present investigation will be of fundamental importance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Divanadium substituted keggin [PV 2 W 10 O 40 ] on non-reducible supports-Al 2 O 3 and SiO 2 : synthesis, characterization, and catalytic properties for oxidative dehydrogenation of propane

Molecular metal oxide cluster, K 5 [α-1,2-PV 2 W 10 O 40 ] (PV 2 W 10 ), was found to have intrinsic catalytic activity for the oxidative dehydrogenation of propane with high selectivity (> 80%) to propylene at low propane conversion (0.3%). Synthesis of dispersed PV 2 W 10 in non-reducible supports, γ-Al 2 O 3 and SiO 2 , was done by incipient wetness impregnation. The supported catalysts were characterized by IR, Raman spectroscopy, nitrogen adsorption, x-ray powder diffraction (PXRD), elemental analysis, hydrogen temperature-programmed reduction (H 2 –TPR), and ammonia temperature-programmed desorption (NH 3 –TPD). Catalytic testing of the supported PV 2 W 10 at equimolar cluster concentration revealed that when supported in γ-Al 2 O 3 it is more active (sevenfold increase in propane conversion) but in SiO 2 it is more selective to propylene (94%). The observed performance was due to both an increase in reducibility and higher concentration of strong acid sites for PV 2 W 10 supported in γ-Al 2 O 3 versus SiO 2 . Lastly, PV 2 W10 was shown to remain intact under reaction conditions indicating its thermal and oxidative stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Simulations of Tidal Disruption Events

Numerical simulations have historically played a major role in understanding the hydrodynamics of the tidal disruption process. Given the complexity of the geometry of the system, the challenges posed by the problem have indeed stimulated much work on the numerical side. Smoothed Particles Hydrodynamics methods, for example, have seen their very first applications in the context of tidal disruption and still play a major role to this day. Likewise, initial attempts at simulating the evolution of the disrupted star with the so-called affine method have been historically very useful. Here, we provide an overview of the numerical techniques used in the field and of their limitations, and summarize the work that has been done to simulate numerically the tidal disruption process.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Why Is It So Challenging to Measure Residual Stresses ?

Abstract Background Residual stresses have a “hidden” character because they exist in a material without the presence of any external loads. They cannot easily be added or subtracted in a quantified manner, as is done when measuring applied stresses, and so are much more challenging to measure. Objective The objective here is to identify and describe the various features that make residual stress measurement methods challenging and to consider the ways that these challenges can be addressed in practice. Methods Various of the most common residual stress measurements methods are considered and the challenges associated with them are identified and classified. Results Five major challenges for residual stress measurements, and the approaches used for their resolution, are identified. Conclusions Despite the various challenges that need to be overcome, residual stress measurements can be successfully undertaken in practice. The most significant feature for success is a highly skilled and knowledge practitioner.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Stereo-DIC Challenge 1.0 – Rigid Body Motion of a Complex Shape

Background Stereo-DIC is a widely used optical measurement technique that provides a dense full-field 3D measurement of the shape, displacement, and strain of a solid sample. When compared with 2D-DIC, Stereo-DIC provides greater flexibility and expands its use beyond flat, planar specimens. Furthermore, the widespread availability of commercial systems has led to the adoption of the technique throughout industry, academia, and government research labs. Objective Even though some research has been done to understand the effects of different experimental and stereo-DIC parameters, no reference is available to benchmark and compare the performance of current stereo-DIC algorithms to each other. Methods This paper provides the description and analysis of a carefully controlled 3D experiment and associated images used to compare the results from five subset based DIC software packages. Both the images and analysis codes used in this paper to compare the results are described here and are available for download and use for continued research. Results We show that over a very large range of motion, the 3D errors are very small, less than 80μm over a travel of ±20 mm out-of-plane and ±20 mm in-plane. While all codes performed similarly, there are important differences noted in the paper. Conclusion The image sets and results comparison software are hosted by the International DIC Society (www.iDICs.org) and are freely available for download and analysis for comparison with results in this paper. Furthermore, it is hoped that this set of images can be used for future research in improving stereo-DIC by future authors.

Algorithms comparison↗
DOE OSTI2025

Evaluation of dried blood spot sampling for verification of exposure to chemical threat agents

Abstract Purpose Exposure to chemical threat agents (CTAs), including nerve agents, the vesicating agent sulfur mustard, and opioids, remains a significant threat to warfighter and civilian populations. Definitive analytical methods to verify exposure to CTAs require shipping refrigerated or frozen biomedical samples to reference laboratories for analysis. Logistical and financial burdens arise as the transport of biomedical samples is subject to strict restrictions and complex packaging, which, if done incorrectly, can lead to sample deterioration. The use of dried blood spot (DBS) sampling could provide operational improvements for collecting, storing, and shipping important forensic samples. Therefore, this effort focuses on developing DBS techniques with Mitra® 30-µL volumetric absorptive microsampling (VAMS®) devices for use in CTA exposure verification. Methods VAMS® devices were loaded and dried with human whole blood that was exposed to the metabolites pinacolyl methylphosphonic acid (PMPA), ethyl methylphosphonic acid (EMPA), 1,1’sulfonylbis[2-(methylsulfinyl)ethane] (SBMSE), norfentanyl, norcarfentanil, norsufentanil, and norlofentanil. Following extraction from the VAMS® devices, metabolites were detected using liquid chromatography-tandem mass spectrometry (LC–MS/MS). The methods were validated for performance by assessing sensitivity, precision, accuracy, and recovery. Results These methods were sensitive to 1 ng/mL for SBMSE, 0.5 ng/mL for PMPA, EMPA, and norfentanyl; 0.1 ng/mL for norlofentanil, and 0.05 ng/mL for norsufentanil and norcarfentanil. All methods met acceptable precision and accuracy criteria with favorable recovery. Conclusions These results demonstrated the utility of VAMS® in stabilizing human whole blood and show promise as an improved collection method for verification of exposure to various CTAs.

Toxicology↗
DOE OSTI2019

The Effect of Melt Ultrasound Treatment on the Microstructure and Age Hardenability of Al-4 Wt Pct Cu/TiC Composite

In the present work, Al-4 wt pct Cu/TiC composite was synthesized by the molten salt route that contains submicron-sized TiC particles in the Al-4 wt pct Cu matrix. The concentration of the TiC particle in the base alloy is 7.5 wt pct. Melt ultrasound treatment was done by remelting the as-cast composite at 1023 K (750 °C) in a view to refine the size of TiC particles to nanoscale and distribute them evenly in the matrix. The microstructure and age hardenability of the untreated and ultrasound-treated composites were investigated. The TiC particles accelerate the precipitation kinetics of CuAl{sub 2} phase in Al-4 wt pct Cu alloy. In the present study, the hardness obtained for untreated Al-4 wt pct Cu/TiC composite is 120 VHN within 5 hours of peak aging time, which is higher than the hardness of the monolithic Al-4 wt pct Cu, which is 104 VHN at 35 hours of peak aging time. Melt ultrasound treatment of Al-4 wt pct Cu/TiC composite shows no significant effect on the distribution and refinement of TiC particles in the matrix. However, it partially disintegrates the TiC into Al{sub 3}Ti and Al{sub 4}C{sub 3} particles. The ultrasound-treated composite showed an improved hardness of about 132 VHN at 5 hours of peak aging, in comparison to that of the untreated composite, by forming denser and homogeneous CuAl{sub 2} precipitates.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Demonstration of a Three-Dimensionally Structured Betavoltaic

In this work, we present a demonstration of a high-aspect ratio, three-dimensionally structured betavoltaic device. High-aspect ratio silicon PIN diodes were used as the semiconductor absorber and 147 PmCl 3 was used as the beta emitter. Three devices were fabricated with 147 Pm activities of 2.4 mCi, 7.4 mCi, and 29.5 mCi. The device with the highest activity produced an initial power output of 200 nW and was monitored over a period of 8 months to observe the current–voltage behavior over time, during which time the output current decreased in accordance with the radioactive half-life of 147 Pm. Small deviations in the output current of a few percent during the long-term measurement were found to be attributable to the humidity in the room where the experiment was done. Furthermore, the output current generated from the devices was 68–77% of the theoretical maximum, indicating significant infiltration of the radioisotope into the ridged structures.

42 ENGINEERING↗
DOE OSTI2021

Data Science Techniques, Assumptions, and Challenges in Alloy Clustering and Property Prediction

Data analytics methods have been increasingly applied to understanding materials chemistry, processing due to the manufacturing approach, and uni-axial and cyclic property relationships in the highly complex space of alloy design. There are several benefits to applying data analytics to this space, including the ability to manage non-linearities in the responses of the alloy attributes and the resulting mechanical properties. However, key difficulties in applying and understanding the results of data analytics include the often lack of reported assumptions and data processing steps necessary to improve interpretation and reproducibility in derived results. In this work, the methods used to generate clustering and correlation analyses for experimental 9% Cr ferritic-martensitic steel data were investigated and the resulting implications for mechanical property predictions were assessed. This work uses principal component analysis, partitioning around medoids, t-SNE, and k-means clustering to investigate trends in composition, processing and microstructure information with creep and tensile properties, building on work done previously using a smaller version of the same dataset. The initial assumptions, preprocessing steps and methods are investigated and outlined in order to depict the fine level of detail required to convey the steps taken to process data and produce analytical results. Here, the variations in the resulting analyses are explored due to the influence of new and more varied data.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Review: Magnesium Sheet Alloy Development for Room Temperature Forming

Sheet metal forming operations in the automotive industry, including stamping, flanging, bending, hemming and trimming, are dominantly done at room temperature (RT). Unfortunately, the poor RT formability of magnesium due to its hexagonal close packed (HCP) structure and generally strong texture has limited the use of these processes in high-volume automotive production. However, the formability of magnesium can be improved via fine grain structure and random texture to enable some RT forming operations. Here, this paper presents the latest magnesium alloy development and evaluation by the United States Automotive Materials Partnership (USAMP) in collaboration with its university partners. A new sheet alloy developed in a recent USAMP project, ZAXME11100 (USAMP Alloy 2 Plus), offers excellent ductility (31% tensile elongation) and RT formability (7.8 mm Erichsen Index) in solution-treated condition (T4), and a high yield strength (270 MPa) upon post-forming aging treatment (T6), promising RT forming for automotive applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Expert and operator perspectives on barriers to energy efficiency in data centers

Abstract It was last estimated in 2016 that data centers (DCs) comprise approximately 2% of total US electricity consumption. However, this estimate is currently being updated to account for the massive increase in computing needs due to streaming, cryptocurrency, and artificial intelligence (AI). To prevent energy consumption that tracks with increasing computing needs, it is imperative we identify energy efficiency strategies and investments beyond the low-hanging fruit solutions. In a two-phased research approach, we ask: What non-technical barriers still impede energy efficiency (EE) practices and investments in the data center sector, and what can be done to overcome these barriers? In particular, we are focused on social and organizational barriers to EE. In Phase I, we performed a literature review and found that technical solutions are abundant in the literature, but fail to address the top-down cultural shifts that need to take place in order to adapt new energy efficiency strategies. In Phase II, reported here, we interviewed 16 data center operators/experts to ground-truth our literature findings. Our interview protocols focus on three aspects of DC decision-making: procurement practices, metrics and monitoring, and perceived barriers to energy efficiency. We find that vendors are the key drivers of procurement decisions, advanced efficiency metrics are facility-specific, and there is convergence in the design of advanced facilities due to the heat density of parallelized infrastructure. Our ultimate goals for our research are to design DC decarbonization policies that target organizational structure, empower individual staff, and foster a supportive external market.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Characterization of recent wild pig-vehicle collisions in Georgia, USA

Vehicle collisions with wild pigs (Sus scrofa) are reported almost everywhere this species is found. However, this is one of the least studied and characterized forms of damage that these invasive animals cause in the United States (U.S.). Here, we analyzed 518 wild pig-vehicle collisions (WPVCs) that took place statewide in Georgia between 2015 and 2021. From that dataset, we analyzed several parameters in order to better understand and characterize these accidents on a scale that had previously not been done in the U.S. Wild pig-vehicle collisions were reported from 105 out of the 159 counties in Georgia, increasing in number annually over the seven-year period. WPVCs were most likely to occur in the fall (37%). A duration weighted time of day analysis showed that WPVCs were most frequent at dusk. Most (97%) reported accidents were caused by live wild pigs, with the remainder being due to collisions with already dead or road-killed pigs. Most (86%) collisions involved a single wild pig while the remainder occurred with two or more pigs. Collisions occurred mostly with passenger cars on dry, straight, and level two-lane blacktop roads under dark, unlighted conditions. Nine percent of the vehicle accidents involving wild pigs resulted in injuries to the drivers and passengers. Some of the most severe injuries reported were caused by swerving to avoid striking wild pigs. No human fatalities were recorded due to these accidents. Wild pig-vehicle collisions are costly and dangerous and should be closely monitored and mitigated by the agencies responsible for motorist safety, transportation infrastructure, and wildlife management.

Georgia↗
DOE OSTI2022

Statistical Estimation of Strain Using Spatial Correlation Functions

Ex-situ estimation of strains from deformed micrographs is not possible as there are no persistent features which can be tracked. Two point spatial statistics enable the rigorous quantification of spatial patterns in heterogeneous media. In this paper, we propose a novel method for estimating strains directly from dissimilar micrographs using a continuum mechanics approach. Rather than operating directly on images from sequential frames, as is done in digital image correlation, we operate on different microstructure realizations. This is made possible by comparing the spatial autocorrelation maps of deformed and undeformed micrographs rather than direct comparison of images. Additionally, a Bayesian framework is proposed for quantifying uncertainty. We first illustrate the efficacy of this method on speckle pattern images from digital image correlation experiments. Then, we demonstrate that the method is capable of operating on dissimilar micrographs using deformed synthetic binary microstructures. Finally, we present a case study on polycrystalline additively manufactured 316L deformed via tension. The proposed method works well and we discuss implications and limitations of the presented work.

36 MATERIALS SCIENCE↗