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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Recover Act. Verification of Geothermal Tracer Methods in Highly Constrained Field Experiments

The prediction of the geothermal system efficiency is strong linked to the character of the flow system that connects injector and producer wells. If water flow develops channels or “short circuiting” between injection and extraction wells thermal sweep is poor and much of the reservoir is left untapped. The purpose of this project was to understand how channelized flow develops in fracture geothermal reservoirs and how it can be measured in the field. We explored two methods of assessing channelization: hydraulic connectivity tests and tracer tests. These methods were tested at a field site using two verification methods: ground penetrating radar (GPR) images of saline tracer and heat transfer measurements using distributed temperature sensing (DTS). The field site for these studies was the Altona Flat Fractured Rock Research Site located in northeastern New York State. Altona Flat Rock is an experimental site considered a geologic analog for some geothermal reservoirs given its low matrix porosity. Because soil overburden is thin, it provided unique access to saturated bedrock fractures and the ability image using GPR which does not effectively penetrate most soils. Five boreholes were drilled in a “five spot” pattern covering 100 m2 and hydraulically isolated in a single bedding plane fracture. This simple system allowed a complete characterization of the fracture. Nine small diameter boreholes were drilled from the surface to just above the fracture to allow the measurement of heat transfer between the fracture and the rock matrix. The focus of the hydraulic investigation was periodic hydraulic testing. In such tests, rather than pumping or injection in a well at a constant rate, flow is varied to produce an oscillating pressure signal. This pressure signal is sensed in other wells and the attenuation and phase lag between the source and receptor is an indication of hydraulic connection. We found that these tests were much more effective than constant pumping tests in identifying a poorly connected well. As a result, we were able to predict which well pairs would demonstrate channelized flow. The focus of the tracer investigation was multi-ionic tests. In multi-ionic tests several ionic tracers are injected simultaneously and the detected in a nearby pumping well. The time history of concentration, or breakthrough curve, will show a separation of the tracers. Anionic tracers travel with the water but cationic tracer undergo chemical exchange with cations on the surface of the rock. The degree of separation is indicative of the surface area exposed to the tracer. Consequently, flow channelization will tend to decrease the separation in the breakthrough. Estimation of specific surface area (the ration of fracture surface area to formation volume) is performed through matching the breakthrough curve with a transport model. We found that the tracer estimates of surface area were confirmed the prediction of channelized flow between well pairs produced by the periodic hydraulic tests. To confirm that the hydraulic and tracer tests were correctly predicting channelize flow, we imaged the flow field using surface GPR. Saline water was injected between the well pairs which produced a change in the amplitude and phase of the reflected radar signal. A map was produced of the migration of saline tracer from these tests which qualitatively confirmed the flow channelization predicted by the hydraulic and tracer tests. The resolution of the GPR was insufficient to quantitatively estimate swept surface area, however. Surface GPR is not applicable in typical geothermal fields because the penetration depths do not exceed 10’s of meters. Nevertheless, the method of using of phase to measure electrical conductivity and the assessment of antennae polarization represent a significant advancement in the field of surface GPR. The effect of flow character on fracture / rock thermal exchange was evaluated using heated water as a tracer. Water elevated 30 degrees C above the formation water was circulated between two wells pairs. One well pair had been identified in hydraulic and tracer testing as well connected and the other poorly connected. Temperature rise was measured in the adjacent rock matrix using coiled fiber optic cable interrogated for temperature using a DTS. This experimental design produced over 4000 temperature measurements every hour. We found that heat transfer between the fracture and the rock matrix was highly impacted by the character of the flow field. The strongly connected wells which had demonstrated flow channelization produced heat rise in a much more limited area than the more poorly connected wells. In addition, the heat increase followed the natural permeability of the fracture rather than the induced flow field. The primary findings of this work are (1) even in a single relatively planar fracture, the flow field can be highly heterogeneous and exhibit flow channeling, (2) channeling results from a combination of fracture permeability structure and the induced flow field, and (3) flow channeling leads to reduced heat transfer. Multi-ionic tracers effectively estimate relative surface area but an estimate of ion-exchange coefficients are necessary to provide an absolute measure of specific surface area. Periodic hydraulic tests also proved a relative indicator of connectivity but cannot prove an absolute measure of specific surface area.

15 GEOTHERMAL ENERGY↗
NASA NTRS1991

Simplified Learning Scheme For Analog Neural Network

Synaptic connections adjusted one at a time in small increments. Simplified gradient-descent learning scheme for electronic neural-network processor less efficient than better-known back-propagation scheme, but offers two advantages: easily implemented in circuitry because data-access circuitry separated from learning circuitry; and independence of data-access circuitry makes possible to implement feedforward as well as feedback networks, including those of multiple-attractor type. Important in such applications as recognition of patterns.

Eberhardt, Silvio P.↗
DOE OSTI2018

Theory-assisted determination of nano-rippling and impurities in atomic resolution images of angle-mismatched bilayer graphene

Ripples and impurity atoms are universally present in 2D materials, limiting carrier mobility, creating pseudo–magnetic fields, or affecting the electronic and magnetic properties. Scanning transmission electron microscopy (STEM) generally provides picometer-level precision in the determination of the location of atoms or atomic 'columns' in the in-image plane (xy plane). However, precise atomic positions in the z-direction as well as the presence of certain impurities are difficult to detect. Furthermore, images containing moiré patterns such as those in angle-mismatched bilayer graphene compound the problem by limiting the determination of atomic positions in the xy plane. Here, we introduce a reconstructive approach for the analysis of STEM images of twisted bilayers that combines the accessible xy coordinates of atomic positions in a STEM image with density-functional-theory calculations. The approach allows us to determine all three coordinates of all atomic positions in the bilayer and establishes the presence and identity of impurities. In this work, the deduced strain-induced rippling in a twisted bilayer graphene sample is consistent with the continuum model of elasticity. We also find that the moiré pattern induces undulations in the z direction that are approximately an order of magnitude smaller than the strain-induced rippling. A single substitutional impurity, identified as nitrogen, is detected. The present reconstructive approach can, therefore, distinguish between moiré and strain-induced effects and allows for the full reconstruction of 3D positions and atomic identities.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Notified access in coarray-based hydrodynamics applications on many-core architectures: Design and performance

With the increasing availability of the Remote Direct Memory Access (RDMA) support in computer networks, the so called Partitioned Global Address Space (PGAS) model has evolved in the last few years. Although there are several cases where a PGAS approach can easily solve difficult message passing situations, like in particle tracking and adaptive mesh refinement applications, the producer-consumer pattern, usually adopted in task-based parallelism, can only be implemented inefficiently because of the separation between data transfer and synchronization (which is usually unified in message passing programming models). Here, in this paper, we provide two contributions: (1) we propose an extension for the Fortran language that provides the concept of Notified Access by associating regular coarray variables with event variables. (2) We demonstrate that the MPI extension proposed by foMPI for Notified Access can be used effectively to implement the same concept in a PGAS run-time library like OpenCoarrays. Moreover, for a hydrodynamics mini-application, we found that Fortran 2018 events perform always better than Fortran 2008 sync statements on many-core processors. We finally show how the proposed Notified Access can improve the performance even more.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Long-term pattern and magnitude of soil carbon feedback to the climate system in a warming world

In a 26-year soil warming experiment in a mid-latitude hardwood forest, we documented changes in soil carbon cycling to investigate the potential consequences for the climate system. We found that soil warming results in a four-phase pattern of soil organic matter decay and carbon dioxide fluxes to the atmosphere, with phases of substantial soil carbon loss alternating with phases of no detectable loss. Several factors combine to affect the timing, magnitude, and thermal acclimation of soil carbon loss. These include depletion of microbially accessible carbon pools, reductions in microbial biomass, a shift in microbial carbon use efficiency, and changes in microbial community composition. Our results support projections of a long-term, self-reinforcing carbon feedback from mid-latitude forests to the climate system as the world warms.

Science & Technology - Other Topics↗
DOE OSTI2014

Combining nanocalorimetry and dynamic transmission electron microscopy for in situ characterization of materials processes under rapid heating and cooling

Nanocalorimetry is a chip-based thermal analysis technique capable of analyzing endothermic and exothermic reactions at very high heating and cooling rates. Here, we couple a nanocalorimeter with an extremely fast in situ microstructural characterization tool to identify the physical origin of rapid enthalpic signals. More specifically, we describe the development of a system to enable in situ nanocalorimetry experiments in the dynamic transmission electron microscope (DTEM), a time-resolved TEM capable of generating images and electron diffraction patterns with exposure times of 30 ns–500 ns. The full experimental system consists of a modified nanocalorimeter sensor, a custom-built in situ nanocalorimetry holder, a data acquisition system, and the DTEM itself, and is capable of thermodynamic and microstructural characterization of reactions over a range of heating rates (10{sup 2} K/s–10{sup 5} K/s) accessible by conventional (DC) nanocalorimetry. To establish its ability to capture synchronized calorimetric and microstructural data during rapid transformations, this work describes measurements on the melting of an aluminum thin film. We were able to identify the phase transformation in both the nanocalorimetry traces and in electron diffraction patterns taken by the DTEM. Potential applications for the newly developed system are described and future system improvements are discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Development of gas chromatographic pattern recognition and classification tools for compliance and forensic analyses of fuels: A review

Gas chromatography (GC) is undoubtedly the analytical technique of choice for analyzing the composition of petroleum-based fuels. Over the past twenty years, as comprehensive two-dimensional gas chromatography (GC×GC) has evolved, fuel analysis has often been highlighted in scientific reports, as their complexity allows for illustration of the impressive peak capacity gains afforded by GC×GC. Indeed, several research groups in recent years have applied GC×GC and chemometrics to demonstrate the potential of these analytical tools to address important compliance (tax evasion, tax credits, physical quality standards) and forensic (arson investigations, oil spills) applications involving fuels. None the less, routine use of GC×GC in forensic laboratories has been limited largely by (1) legal and regulatory guidelines, (2) lack of chemometrics training, and (3) concerns about the reproducibility of GC×GC. The goal of this review is to highlight recent advances in one-dimensional GC (1D-GC) and GC×GC analyses of fuels for compliance and forensic applications, in an effort to assist scientists in overcoming the aforementioned hindrances. An introduction to 1D-GC principles, GC×GC technology (column stationary phases and modulators) and several chemometric techniques will be provided. More specifically, chemometric techniques will be broken down into (1) signal pre-processing, (2) peak decomposition, identification and quantification, and (3) classification and pattern recognition. Examples of compliance and forensic applications will be discussed, with particular emphasis on the demonstrated success of the employed chemometric techniques. Overall, this review will hopefully make 1D-GC and GC×GC coupled with chemometric data analysis tools more accessible to the larger scientific community, and aid in eventual widespread standardization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Periodic domain inversion in x-cut single-crystal lithium niobate thin film

We report the fabrication of periodically poled domain patterns in x-cut lithium niobate thin-film. Here, thin films on insulator have drawn particular attention due to their intrinsic waveguiding properties offering high mode confinement and smaller devices compared to in-diffused waveguides in bulk material. In contrast to z-cut thin film lithium niobate, the x-cut geometry does not require back electrodes for poling. Further, the x-cut geometry grants direct access to the largest nonlinear and electro-optical tensor element, which overall promises smaller devices. The domain inversion was realized via electric field poling utilizing deposited aluminum top electrodes on a stack of LN thin film/SiO{sub 2} layer/Bulk LN, which were patterned by optical lithography. The periodic domain inversion was verified by non-invasive confocal second harmonic microscopy. Our results show domain patterns in accordance to the electrode mask layout. The second harmonic signatures can be interpreted in terms of spatially, overlapping domain filaments which start their growth on the +z side.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Photothermally Directed Assembly of Block Copolymers

Block copolymers self-assemble into nanoscale morphologies, spontaneously ordering under thermal annealing conditions owing to the chemical incompatibility between the blocks. Although the morphologies that form can be rationalized based on equilibrium arguments, the structures seen experimentally are strongly influenced by kinetic effects including process history. Recently, a variety of photothermal processing techniques have been used to control block copolymer ordering. Photothermal methods provide access to extreme conditions, including high temperatures, large heating rates, and sharp thermal gradients. Furthermore, this can be used to greatly accelerate block copolymer ordering kinetics, to pattern material order, or to probe fundamental aspects of self-assembly by exploring process histories.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Grain size estimation in fluvial gravel bars using uncrewed aerial vehicles: A comparison between methods based on imagery and topography

Abstract Grain size assessments are necessary for understanding the various geomorphological, hydrological and ecological processes that occur within rivers. Recent research has shown that the application of Structure‐from‐Motion (SfM) photogrammetry to imagery from uncrewed aerial vehicles (UAVs) shows promise for rapidly characterising grain sizes along rivers in comparison to traditional field‐based methods. Here, we evaluated the applicability of different methods for estimating grain sizes in gravel bars along a study reach in the Olentangy River in Columbus, Ohio. We collected imagery of these gravel bars with a UAV and processed those images with SfM photogrammetry software to produce three‐dimensional point clouds and orthomosaics. Our evaluation compared statistical models calibrated on topographic roughness, which was computed from the point clouds, and to those based on image texture, which was computed from the orthomosaics. Our results showed that statistical models calibrated on image texture were more accurate than those based on topographic roughness. This might be because of site‐specific patterns of grain size, shape and imbrication. Such patterns would have complicated the detection of topographic signatures associated with individual grains. Our work illustrates that UAV‐SfM approaches show potential to be used as an accessible method for characterising surface grain sizes along rivers at higher spatial and temporal resolutions than those provided by traditional methods.

Wong, Tyler↗
DOE OSTI2021

Widespread co‐occurrence of Sebacinales and arbuscular mycorrhizal fungi in switchgrass roots and soils has limited dependence on soil carbon or nutrients

Societal Impact Statement This work addresses a novel group of Sebacinales mycorrhizal fungi being considered for development as inoculants in managed ecosystems because of their potential access to nutrients in soil organic matter. By comparing the diversity, distributions, and abundances of the Sebacinales with the more common arbuscular mycorrhizal fungi in switchgrass, a biofuel crop, we demonstrate that current suggestions for a Sebacinales revolution in agriculture should be tempered by their ecology. In particular, Sebacinales are rare compared to arbuscular mycorrhizal fungi, and are only weakly associated with soil carbon, suggesting that ideas about improved soil carbon cycling associated with Sebacinales need to be sufficiently studied across a range of environmental conditions prior to their consideration for broad‐spectrum soil inoculants. Summary Arbuscular mycorrhizal (AM) fungi are widespread and important root symbionts, but recent work suggests that Sebacinales fungi may play an equally important role in both plant success and ecosystem carbon and nutrient cycling based on their worldwide occurrence and putative access to organic matter. However, the ecological impacts of Sebacinales will depend on their abundance and distribution relative to AM fungi and environmental soil carbon and nutrient patterns, which remain unexplored. We characterized Glomeromycota and Sebacinales fungi in switchgrass ( Panicum virgatum L.) roots and soils across 14 sites with diverse soil conditions. We examined group richness differences, co‐occurrence patterns, and how the relative abundance of these fungi related to soil carbon, nutrient stoichiometry, and host size. Sebacinales were widespread, but less diverse, common, and abundant than Glomeromycota. Moreover, co‐occurrences were predominantly random, suggesting relatively few interactions between these groups. Sebacinales increased relative to Glomeromycota in soils with more carbon, but explanatory power was limited. Based on our findings, we suggest that Sebacinales are likely complementary to AM fungi in roots. Expectations that Sebacinales have large effects on soil carbon and nutrient cycling may need to be reconsidered, at least based on their limited abundances relative to AM fungi in switchgrass. This is an important consideration as Sebacinales are candidates for use as inoculants in managed ecosystems.

Lee, Marissa R.↗
DOE OSTI2017

Pink-beam serial crystallography

Serial X-ray crystallography allows macromolecular structure determination at both X-ray free electron lasers (XFELs) and, more recently, synchrotron sources. The time resolution for serial synchrotron crystallography experiments has been limited to millisecond timescales with monochromatic beams. The polychromatic, “pink”, beam provides a more than two orders of magnitude increased photon flux and hence allows accessing much shorter timescales in diffraction experiments at synchrotron sources. Here we report the structure determination of two different protein samples by merging pink-beam diffraction patterns from many crystals, each collected with a single 100 ps X-ray pulse exposure per crystal using a setup optimized for very low scattering background. In contrast to experiments with monochromatic radiation, data from only 50 crystals were required to obtain complete datasets. The high quality of the diffraction data highlights the potential of this method for studying irreversible reactions at sub-microsecond timescales using high-brightness X-ray facilities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Nonlinear nanoelectrodynamics of a Weyl metal

Chiral Weyl fermions with linear energy-momentum dispersion in the bulk accompanied by Fermi-arc states on the surfaces prompt a host of enticing optical effects. While new Weyl semimetal materials keep emerging, the available optical probes are limited. In particular, isolating bulk and surface electrodynamics in Weyl conductors remains a challenge. We devised an approach to the problem based on near-field photocurrent imaging at the nanoscale and applied this technique to a prototypical Weyl semimetal TaIrTe 4 . As a first step, we visualized nano-photocurrent patterns in real space and demonstrated their connection to bulk nonlinear conductivity tensors through extensive modeling augmented with density functional theory calculations. Notably, our nanoscale probe gives access to not only the in-plane but also the out-of-plane electric fields so that it is feasible to interrogate all allowed nonlinear tensors including those that remained dormant in conventional far-field optics. Surface- and bulk-related nonlinear contributions are distinguished through their “symmetry fingerprints” in the photocurrent maps. Robust photocurrents also appear at mirror-symmetry breaking edges of TaIrTe 4 single crystals that we assign to nonlinear conductivity tensors forbidden in the bulk. Here, nano-photocurrent spectroscopy at the boundary reveals a strong resonance structure absent in the interior of the sample, providing evidence for elusive surface states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Visualizing Vehicle Acceleration and Braking Energy at Intersections along a Major Traffic Corridor

Automobiles approaching a controlled intersection need to brake and come to a full stop when the signal transitions from green to red, and the vehicle must later accelerate to normal speeds after the signal changes back to green. These stops and starts associated with normal signal changes lead to unnecessary energy consumption and vehicle emissions. Previous studies have revealed that the optimization of traffic intersections' signal controls and coordination facilitates smoother traffic flows with reduced stop-and-go driving, which can significantly reduce traffic congestion and unnecessary fuel waste. This paper presents an interactive visual analytics dashboard that allows transportation planners to explore and analyze energy consumption patterns resulting from temporally varying traffic signal phases at multiple intersections along a major transportation corridor using traffic simulation outputs. The visual dashboard is implemented as an accessible and responsive web application and employs a combination of visualization techniques to cover multiple aspects of vehicle acceleration and braking at multiple adjacent intersections along a corridor. The paper presents a case study of a simulated traffic scenario on the Shallowford Road traffic corridor located in Chattanooga, Tennessee to demonstrate the capability of the visual dashboard.

Xu, Haowen↗
DOE OSTI2021

Single-node Partitioned-Memory for Huge Graph Analytics: Cost and Performance Trade-offs

Nonvolatile memory NVDIMMs, available as Intel Optane, are less expensive than DRAM and bring large byte-addressable storage within reach to many applications. Evaluations on graph analytics have shown promising performance only when DRAM is used as a hardware cache (Memory mode). An open question is whether graph applications can exploit Optane and DRAM directly (AppDirect mode) and achieving better-than-DRAM average bandwidth and run times. We evaluate Optane as a volatile pool on two large-scale graph applications with very different computational patterns, Grappolo and Ripples. We show that AppDirect mode can deliver better-than-DRAM performance, by allocating data structures to Optane and DRAM according to their access characteristics, resulting in higher average memory bandwidth and lower average latency. Memory mode provides DRAM-competitive performance with capacity equal to persistent memory. We demonstrate occasional 4x improvement using the latest AppDirect option and frequently observe competitive performance between Optane AppDirect Memory modes and DRAM.

Ghosh, Sayan↗
DOE OSTI2023

Status of DUNE Offline Computing

We summarize the status of Deep Underground Neutrino Experiment (DUNE) Offline Software and Computing program. We describe plans for the computing infrastructure needed to acquire, catalog, reconstruct, simulate and analyze the data from the DUNE experiment and its prototypes in pursuit of the experiment's physics goals of precision measurements of neutrino oscillation parameters, detection of astrophysical neutrinos, measurement of neutrino interaction properties and searches for physics beyond the Standard Model. In contrast to traditional HEP computational problems, DUNE's Liquid Argon Time Projection Chamber data consist of simple but very large (many GB) data objects which share many characteristics with astrophysical images. We have successfully reconstructed and simulated data from 4% prototype detector runs at CERN. The data volume from the full DUNE detector, when it starts commissioning late in this decade will present memory management challenges in conventional processing but significant opportunities to use advances in machine learning and pattern recognition as a frontier user of High Performance Computing facilities capable of massively parallel processing. Our goal is to develop infrastructure resources that are flexible and accessible enough to support creative software solutions as HEP computing evolves.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Warm Unit Stand Analysis for Proton Improvement Project II

The Proton Improvement Project II, commonly referred to as PIP II, is a linear accelerator overhaul at Fermilab to eventually double the output of its existing proton beam to continue to be the leading force in high energy physics. The proton beam is created through a series of high frequency cryomodules that must be connected utilizing a combination of magnets and vacuum pumps to ensure the beam is properly aligned. A housing mechanism for the magnets and vacuum pumps (Warm Units) will be placed between the cryomodules for realignment and require multiple stages of 6 degree-of-freedom adjustment options, to ensure that the beam alignment can fit all realistic requirements. Extensive testing and design modifications on the Warm Unit stand was completed to confirm not only the strength of the unit in nominal configuration, but also at each possible adjustment orientation for each 6 degree-of-freedom option. Structural analysis was also completed for various unique loading conditions i ncluding transportation loading and confirming the unit satisfies international building code. Simultaneously, testing and design modifications were done to confirm that the frequency modes of the system resided outside of concern ranges, which is determined by Fermilab safety codes and is set to exceed 15 Hz. Design changes that simultaneously stiffen the system to raise the lowest frequency modes while expanding access for technicians and allow for easier fabrication were developed and implemented into the Warm Unit stand. Various relationships between the design changes and the overall vibrational patterns were also developed for future use and study as the rest of PIP II matures.

43 PARTICLE ACCELERATORS↗
DOE OSTI2017

Limb-Enhancer Genie: An accessible resource of accurate enhancer predictions in the developing limb

Epigenomic mapping of enhancer-associated chromatin modifications facilitates the genome-wide discovery of tissue-specific enhancers in vivo. However, reliance on single chromatin marks leads to high rates of false-positive predictions. More sophisticated, integrative methods have been described, but commonly suffer from limited accessibility to the resulting predictions and reduced biological interpretability. Here we present the Limb-Enhancer Genie (LEG), a collection of highly accurate, genome-wide predictions of enhancers in the developing limb, available through a user-friendly online interface. We predict limb enhancers using a combination of > 50 published limb-specific datasets and clusters of evolutionarily conserved transcription factor binding sites, taking advantage of the patterns observed at previously in vivo validated elements. By combining different statistical models, our approach outperforms current state-of-the-art methods and provides interpretable measures of feature importance. Our results indicate that including a previously unappreciated score that quantifies tissue-specific nuclease accessibility significantly improves prediction performance. We demonstrate the utility of our approach through in vivo validation of newly predicted elements. Moreover, we describe general features that can guide the type of datasets to include when predicting tissue-specific enhancers genome-wide, while providing an accessible resource to the general biological community and facilitating the functional interpretation of genetic studies of limb malformations.

59 BASIC BIOLOGICAL SCIENCES↗