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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

High-electric-field behavior of the metal-insulator transition in TiS3 nanowire transistors

We investigate the behavior of the metal-insulator transition (MIT) in TiS 3 nanowire field-effect transistors, in the strongly nonequilibrium limit that has, thus far, largely been neglected. Under high electric fields within the TiS 3 channel (≤115 kV/cm), we observe the emergence of a critical fixed point, separating insulating and metallic regions in the transfer curves of the device. The critical gate voltage that defines this fixed point evolves systematically with the drain bias (field), allowing us to map out a phase diagram that identifies the conditions for metallicity or for insulating behavior. Dependent upon the choice of the gate voltage used to tune the carrier concentration in the nanowire, the existence of the field-induced MIT allows the TiS 3 to be either insulating or metallic over an extensive range of temperature. The possible connection of this strongly nonequilibrium state to some form of charge density wave is discussed.

2D materials↗
DOE OSTI2016

3D-SIFT-Flow for atlas-based CT liver image segmentation

Purpose: In this paper, the authors proposed a new 3D registration algorithm, 3D-scale invariant feature transform (SIFT)-Flow, for multiatlas-based liver segmentation in computed tomography (CT) images. Methods: In the registration work, the authors developed a new registration method that takes advantage of dense correspondence using the informative and robust SIFT feature. The authors computed the dense SIFT features for the source image and the target image and designed an objective function to obtain the correspondence between these two images. Labeling of the source image was then mapped to the target image according to the former correspondence, resulting in accurate segmentation. In the fusion work, the 2D-based nonparametric label transfer method was extended to 3D for fusing the registered 3D atlases. Results: Compared with existing registration algorithms, 3D-SIFT-Flow has its particular advantage in matching anatomical structures (such as the liver) that observe large variation/deformation. The authors observed consistent improvement over widely adopted state-of-the-art registration methods such as ELASTIX, ANTS, and multiatlas fusion methods such as joint label fusion. Experimental results of liver segmentation on the MICCAI 2007 Grand Challenge are encouraging, e.g., Dice overlap ratio 96.27% ± 0.96% by our method compared with the previous state-of-the-art result of 94.90% ± 2.86%. Conclusions: Experimental results show that 3D-SIFT-Flow is robust for segmenting the liver from CT images, which has large tissue deformation and blurry boundary, and 3D label transfer is effective and efficient for improving the registration accuracy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

CEGANN: CRYSTAL EDGE GRAPH ATTENTION NEURAL NETWORK

SF-22-156 Machine learning (ML) models and applications in materials design and discovery typically involve the use of feature representations or descriptors followed by a learning algorithm that maps them to user desired properties of interest. Most popular mathematical formulation-based descriptors are not unique across atomic environments and suffer from transferability issues across different application domains and/or material classes. The CEGANN code provides a unified interface to facilitate material characterization across materials across multiple scales (from atomic to mesoscale) and diverse classes of materials ranging from metals oxides, non-metals, and even hierarchical materials such as zeolites and semi ordered materials such as mesophases. CEGANN implements a Graph Attention Network (GAT) type convolution architecture. The details of network architecture can be found in the paper https://doi.org/10.48550/arXiv.2207.10168. The software comes with pretrained examples and dataset for the classification of the following representative systems: (1) Structure-level representation such as space group (2) Structural dimensionality (e.g., bulk, 2D, clusters etc.) (3) Grain boundary identification (4) Nucleation and growth of a zeolite polymorph (5) Characterization of binary mesophases and their phase transitions (6) Growth of ice. The code is written in python programming language.

CHAN, HENRYT↗
NASA NTRS1989

Radiation effects in Caenorhabditis elegans - Mutagenesis by high and low LET ionizing radiation

The nematode C. elegans was used to measure the effectiveness of high-energy ionized particles in the induction of three types of genetic lesions. Recessive lethal mutations in a 40-map unit autosomal region, sterility, and X-chromosome nondisjunction or damage were investigated. Induction rates were measured as a function of linear energy transfer, LET(infinity), for nine ions of atomic nunmber 1-57 accelerated at the BEVALAC accelerator. Linear kinetics were observed for all three types of lesions within the dose/fluence ranges tested and were found to vary strongly as a function of particle LET(infinity). Relative biological effectiveness (RBE) values of up to 4.2 were measured, and action cross sections were calculated and compared to mutagenic responses in other systems.

Nelson, Gregory A.↗
NASA NTRS1992

Wide-Angle, Reflective Strip-Imaging Camera

Proposed camera images thin, striplike portion of field of view of 180 degrees wide. Hemispherical concave reflector forms image onto optical fibers, which transfers it to strip of photodetectors or spectrograph. Advantages include little geometric distortion, achromatism, and ease of athermalization. Uses include surveillance of clouds, coarse mapping of terrain, measurements of bidirectional reflectance distribution functions of aerosols, imaging spectrometry, oceanography, and exploration of planets.

Vaughan, Arthur H.↗
NASA NTRS1999

Remote Sensing of Volcanic Clouds: Sulfur Gases and Plume Top Topography

New absorption line parameters for H2S were published and submitted to the Gestion et Etude des Informations Spectroscopiques Atmospheriques (GEISA) and high resolution transmission molecular absorption (HITRAN) databases. These new absorption line parameters will make it possible to use observations from the future Tropospheric Emission Spectrometer (TES) instrument [Earth Observing System (EOS) Chemistry Mission (CHEM) platform] to make more accurate H2S measurements if it observes an H2S-rich volcanic cloud. H2S is the second most abundant volcanic sulfur gas, and like SO2, it also converts to H2SO4 aerosols and can have a climate impact. A paper on the Moderate-resolution Imaging-Spectroradiometer (MODIS) SO2 alert is being revised. New aspects in the revision include verification of the SO2 alert during the EOS mission; factors affecting SO2 detection at thermal infrared, ultraviolet, and microwave wavelengths; radiative transfer tests; more description of satellite instruments; and thermal surface alert installed for MODIS. Her research involves the use of remote sensing to generate maps of plume top altitude. This parameter is important for models of volcanic eruption, aircraft hazards, and climate impact. The topographic shape of the top surface of a volcanic plume can provide information necessary to understand the physics controlling the injection and dispersal of a volcanic plume in the atmosphere. Glaze et al. describe the application of a photoclinometric technique to volcanic plumes. The software algorithm has been improved to account for more general plume and illumination geometries and for easily extracting position information directly from Advanced Very High-Resolution Radiometer (AVHRR) level 1B data. Testing of the algorithm has focused on acquiring AVHRR data for a variety of volcanic plumes in an effort to identify problems with the software as well as model sensitivities. The plumes chosen were erupted from volcanoes at a variety of latitudes, at different times of day, and in different seasons. Another important issue that is being investigated is the importance of plume opacity. A diagram illustrates the method for deriving phi, the angle a wind-blown plume makes with the horizontal, in the direction perpendicular to the remote sensing scan. A figure shows a sample output of the algorithm, a wire mesh map of plume top topography. Additional information is contained in the original.

Crisp, Joy A.↗
DOE OSTI2018

The distribution, orientation, and characteristics of natural fractures for Experiment 1 of the EGS Collab Project, Sanford Underground Research Facility

The EGS Collab project is focused on understanding and predicting permeability enhancement and evolution in crystalline rocks. To accomplish this, the project is creating a suite of intermediate-scale (~10-20 m) field test beds coupled with stimulation and interwell flow tests that will provide a basis to better understand the fracture geometries and processes that control heat transfer between rock and stimulated fractures. As part of the site characterization effort for the first experimental test bed, our team has worked on mapping the distribution, orientation, and nature of open and healed fractures exposed along the drift wall and within the eight bore holes drilled for this test bed. The fractures have been characterized through detailed description of continuous cores obtained from these boreholes, evaluation of televiewer logs, and mapping of fractures and seeps exposed along the drift wall. The fracture data are being compiled and interpreted for slip and dilation tendencies, and will be incorporated into coupled-process geomechanical flow and transport models to better constrain the planned flow and tracer tests.

15 GEOTHERMAL ENERGY↗
DOE OSTI2014

Experimental investigation of piston heat transfer under conventional diesel and reactivity-controlled compression ignition combustion regimes

The piston of a heavy-duty single-cylinder research engine was instrumented with 11 fast-response surface thermocouples, and a commercial wireless telemetry system was used to transmit the signals from the moving piston. The raw thermocouple data were processed using an inverse heat conduction method that included Tikhonov regularization to recover transient heat flux. By applying symmetry, the data were compiled to provide time-resolved spatial maps of the piston heat flux and surface temperature. A detailed comparison was made between conventional diesel combustion and reactivity-controlled compression ignition combustion operations at matched conditions of load, speed, boost pressure, and combustion phasing. The integrated piston heat transfer was found to be 24% lower, and the mean surface temperature was 25 C lower for reactivity-controlled compression ignition operation as compared to conventional diesel combustion, in spite of the higher peak heat release rate. Lower integrated piston heat transfer for reactivity-controlled compression ignition was found over all the operating conditions tested. The results showed that increasing speed decreased the integrated heat transfer for conventional diesel combustion and reactivity-controlled compression ignition. The effect of the start of injection timing was found to strongly influence conventional diesel combustion heat flux, but had a negligible effect on reactivity-controlled compression ignition heat flux, even in the limit of near top dead center high-reactivity fuel injection timings. These results suggest that the role of the high-reactivity fuel injection does not significantly affect the thermal environment even though it is important for controlling the ignition timing and heat release rate shape. The integrated heat transfer and the dynamic surface heat flux were found to be insensitive to changes in boost pressure for both conventional diesel combustion and reactivity-controlled compression ignition. However, for reactivity-controlled compression ignition, the mean surface temperature increased with changes in boost suggesting that equivalence ratio affects steady-state heat transfer.

Splitter, Derek A↗
DOE OSTI2012

A Reduced-Boundary-Function Method for Convective Heat Transfer with Axial Heat Conduction and Viscous Dissipation

We introduce a method of solution for the convective heat transfer under forced laminar flow that is confined by two parallel plates with a distance of 2a or by a circular tube with a radius of a. The advection-conduction equation is first mapped onto the boundary. The original problem of solving the unknown field is reduced to seek the solutions of T at the boundary (r=a or r=0, r is the distance from the centerline shown in Fig. 1), i.e. the boundary functions and/or . In this manner, the original problem is significantly simplified by reducing the problem dimensionality from 3 to 2. The unknown field can be eventually solved in terms of these boundary functions. The method is applied to the convective heat transfer with uniform wall temperature boundary condition and with heat exchange between flowing fluids and its surroundings that is relevant to the geothermal applications. Analytical solutions are presented and validated for the steady state problem using the proposed method.

Heat Transport, Convective, Conduction, Multi-scal↗
NASA NTRS2003

Integrated Propulsion/Vehicle System Structurally Optimized

Ongoing research and testing are essential in the development of air-breathing hypersonic propulsion technology, and this year some positive advancement was made at the NASA Glenn Research Center. Recent work performed for GTX, a rocket-based combined-cycle, single-stage-to-orbit concept, included structural assessments of both the engine and flight vehicle. In the development of air-breathing engine technology, it is impractical to design and optimize components apart from the fully integrated system because tradeoffs must be made between performance and structural capability. Efforts were made to control the flight trajectory, for example, to minimize the aerodynamic heating effects. Structural optimization was applied to evaluate concept feasibility and was instrumental in the determination of the gross liftoff weight of the integrated system. Achieving low Earth orbit with even a small payload requires an aggressive approach to weight minimization through the use of lightweight, oxidation-resistant composite materials. Assessing the integrated system involved investigating the flight trajectory to determine where the critical load events occur in flight and then generating the corresponding environment at each of these events. Structural evaluation requires the mapping of the critical flight loads to finite element models, including the combined effects of aerodynamic, inertial, combustion, and other loads. NASA s APAS code was used to generate aerodynamic pressure and temperature profiles at each critical event. The radiation equilibrium surface temperatures from APAS were used to predict temperatures through the thickness. Heat transfer solutions using NASA's MINIVER code and the SINDA code (Cullimore & Ring Technologies, Littleton, CO) were calculated at selective points external to the integrated vehicle system and then extrapolated over the entire exposed surface. FORTRAN codes were written to expedite the finite element mapping of the aerodynamic heating effects for the internal structure.

Hunter, James E.↗
DOE OSTI2022

Neutron scattering maps the higher-order assembly of NADPH-dependent assimilatory sulfite reductase

Precursor molecules for biomass incorporation must be imported into cells and made available to the molecular machines that build the cell. Sulfur-containing macromolecules require that sulfur be in its S2- oxidation state before assimilation into amino acids, cofactors, and vitamins that are essential to organisms throughout the biosphere. In α-proteobacteria, NADPH-dependent assimilatory sulfite reductase (SiR) performs the final six-electron reduction of sulfur. SiR is a dodecameric oxidoreductase composed of an octameric flavoprotein reductase (SiRFP) and four hemoprotein metalloenzyme oxidases (SiRHPs). SiR performs the electron transfer reduction reaction to produce sulfide from sulfite through coordinated domain movements and subunit interactions without release of partially reduced intermediates. Efforts to understand the electron transfer mechanism responsible for SiR’s efficiency are confounded by structural heterogeneity arising from intrinsically disordered regions throughout its complex, including the flexible linker joining SiRFP’s flavin-binding domains. As a result, high-resolution structures of SiR dodecamer and its subcomplexes are unknown, leaving a gap in the fundamental understanding of how SiR performs this uniquely large-volume electron transfer reaction. In this work, we use deuterium labeling, in vitro reconstitution, analytical ultracentrifugation (AUC), small-angle neutron scattering (SANS), and neutron contrast variation (NCV) to observe the relative subunit positions within SiR’s higher-order assembly. AUC and SANS reveal SiR to be a flexible dodecamer and confirm the mismatched SiRFP and SiRHP subunit stoichiometry. NCV shows that the complex is asymmetric, with SiRHP on the periphery of the complex and the centers of mass between SiRFP and SiRHP components over 100 Å apart. SiRFP undergoes compaction upon assembly into SiR’s dodecamer and SiRHP adopts multiple positions in the complex. The resulting map of SiR’s higher-order structure supports a cis/trans mechanism for electron transfer between domains of reductase subunits as well as between tightly bound or transiently interacting reductase and oxidase subunits.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1996

Development of a Land Use Mapping and Monitoring Protocol for the High Plains Region: A Multitemporal Remote Sensing Application

The purpose of this project was to develop a practical protocol that employs multitemporal remotely sensed imagery, integrated with environmental parameters to model and monitor agricultural and natural resources in the High Plains Region of the United States. The value of this project would be extended throughout the region via workshops targeted at carefully selected audiences and designed to transfer remote sensing technology and the methods and applications developed. Implementation of such a protocol using remotely sensed satellite imagery is critical for addressing many issues of regional importance, including: (1) Prediction of rural land use/land cover (LULC) categories within a region; (2) Use of rural LULC maps for successive years to monitor change; (3) Crop types derived from LULC maps as important inputs to water consumption models; (4) Early prediction of crop yields; (5) Multi-date maps of crop types to monitor patterns related to crop change; (6) Knowledge of crop types to monitor condition and improve prediction of crop yield; (7) More precise models of crop types and conditions to improve agricultural economic forecasts; (8;) Prediction of biomass for estimating vegetation production, soil protection from erosion forces, nonpoint source pollution, wildlife habitat quality and other related factors; (9) Crop type and condition information to more accurately predict production of biogeochemicals such as CO2, CH4, and other greenhouse gases that are inputs to global climate models; (10) Provide information regarding limiting factors (i.e., economic constraints of pumping, fertilizing, etc.) used in conjunction with other factors, such as changes in climate for predicting changes in rural LULC; (11) Accurate prediction of rural LULC used to assess the effectiveness of government programs such as the U.S. Soil Conservation Service (SCS) Conservation Reserve Program; and (12) Prediction of water demand based on rural LULC that can be related to rates of draw-down of underground water supplies.

Price, Kevin P.↗
DOE OSTI2019

Structure of the complex I-like molecule NDH of oxygenic photosynthesis

Cyclic electron flow around photosystem I (PSI) is a mechanism by which photosynthetic organisms balance the levels of ATP and NADPH necessary for efficient photosynthesis1,2. NAD(P)H dehydrogenase-like complex (NDH) is a key component of this pathway in most oxygenic photosynthetic organisms3,4 and is the last large photosynthetic membrane-protein complex for which the structure remains unknown. Related to the respiratory NADH dehydrogenase complex (complex I), NDH transfers electrons originating from PSI to the plastoquinone pool while pumping protons across the thylakoid membrane, thereby increasing the amount of ATP produced per NADP+ molecule reduced4,5. NDH possesses 11 of the 14 core complex I subunits, as well as several oxygenic-photosynthesis-specific (OPS) subunits that are conserved from cyanobacteria to plants3,6. However, the three core complex I subunits that are involved in accepting electrons from NAD(P)H are notably absent in NDH3,5,6, and it is therefore not clear how NDH acquires and transfers electrons to plastoquinone. It is proposed that the OPS subunits—specifically NdhS—enable NDH to accept electrons from its electron donor, ferredoxin3,4,5,7. Here we report a 3.1 Å structure of the 0.42-MDa NDH complex from the thermophilic cyanobacterium Thermosynechococcus elongatus BP-1, obtained by single-particle cryo-electron microscopy. Our maps reveal the structure and arrangement of the principal OPS subunits in the NDH complex, as well as an unexpected cofactor close to the plastoquinone-binding site in the peripheral arm. The location of the OPS subunits supports a role in electron transfer and defines two potential ferredoxin-binding sites at the apex of the peripheral arm. These results suggest that NDH could possess several electron transfer routes, which would serve to maximize plastoquinone reduction and avoid deleterious off-target chemistry of the semi-plastoquinone radical.

Laughlin, Thomas G.↗
DOE OSTI2022

Conservative and Accurate Solution Transfer Between High-Order and Low-Order Refined Finite Element Spaces

Here, in this paper, we introduce general transfer operators between high-order and low-order refined finite element spaces that can be used to couple high-order and low-order simulations. Under natural restrictions on the low-order refined space we prove that both the high-to-low-order and low-to-high-order linear mappings are conservative, constant preserving, and high-order accurate. While the proof holds for affine geometries, numerical experiments indicate that the results hold for more general curved meshes. We present several numerical results confirming our analysis and demonstrate the utility of the new mappings in the context of adaptive mesh refinement and conservative multidiscretization coupling.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Impact of External Pressure and Electrolyte Transport Properties on Lithium Dendrite Growth

Practical implementation of metal anodes in commercial lithium-ion batteries has been limited by the growth of dendritic protrusions, which can cause short-circuits and adversely affect battery safety. The impacts of the physical (such as external pressure and electrolyte shear modulus) and electrochemical (for example, conductivity, diffusivity and transference number) properties of a solid electrolyte on the propensity of lithium dendrite growth are investigated here. It is found that over a range of conditions, there are critical pressures above which growth of lithium dendritic protrusions can be prevented. The magnitude of this critical pressure depends on the elastic modulus of the electrolyte. Plastic deformation of lithium at high pressure results in reduced protrusion growth, which helps in obtaining stable deposition. For the first time, phase maps have been developed based on mechanical and transport properties of electrolytes, indicating conditions under which stable deposition of lithium is possible during long-term operation. Suppression of dendrites by individually altering conductivity, or diffusivity, or transference number, or elastic modulus of the electrolyte appears to be a relatively difficult task. Finally, minor tailoring of the transference number and elastic modulus of present-day polymer electrolytes, in a combined fashion, can lead to dendrite-free deposition of lithium.

25 ENERGY STORAGE↗
DOE OSTI2017

What is the optimal way to prepare a Bell state using measurement and feedback?

Recent work has shown that the use of quantum feedback can significantly enhance both the speed and success rate of measurement-based remote entanglement generation, but it is generally unknown what feedback protocols are optimal for these tasks. In this work, we consider two common measurements that are capable of projecting into pairwise entangled states, namely half- and full-parity measurements of two qubits, and determine in each case a globally optimal protocol for generation of entanglement. For the half-parity measurement, we rederive a previously described protocol using more general methods and prove that it is globally optimal for several figures of merit, including maximal concurrence or fidelity and minimal time to reach a specified concurrence or fidelity. For the full-parity measurement, we derive a protocol for rapid entanglement generation related to that of (Hill, Ralph, Phys. Rev. A 77, 014305), and then map the dynamics of the concurrence of the state to the Bloch vector length of an effective qubit. This mapping allows us to prove several optimality results for feedback protocols with full-parity measurements. We further show that our full-parity protocol transfers entanglement optimally from one qubit to the other amongst all measurement-based schemes. The methods developed here will be useful for deriving feedback protocols and determining their optimality properties in many other quantum systems subject to measurement and unitary operations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Dynamic Analysis of Discoidal Nascent HDL Structure by IPET

Although circulating high density lipoproteins (HDL) are considered protective from cardiovascular disease, we have a remarkably limited understanding of their structure. In the recent decades, several models of HDL are built and debated each other, but the exact structure of HDL can't be confirmed even now. In our previous work, we used cross‐linking chemistry and mass spectrometry to generate detailed models of apoA‐I in reconstituted particles as well as “real” HDL from human plasma. Despite substantial differences in size and shape, these structures all shared the theme of an antiparallel belt‐like arrangement. Thus, direct visible observation of the conformation of discoidal HDL with the help of electron microscopy is a possible way to solve the debate. Here we report a study of structure of HDL by using negative‐staining electron microscopy and cryo‐electron microscopy as well as electron tomography. The 3D structures of dynamical individual HDL molecules are reconstructed by the individual‐particle electron tomography reconstruction (IPET). The reconstructed density maps at ~ 2 nm resolution display the size heterogeneity and conformation variety of HDL particles, and reveal a fusion/release mechanism of discoidal HDL in lipid transfer. These results revealed that apoA‐I makes highly specific contacts with itself to form a molecular scaffold that stabilizes HDL and facilitates, through specific protein: protein interactions, the association of HDL partner proteins to define particle function. The notion is crucial for us to further understand how the major HDL protein, apolipoprotein (apo)A‐I are involved in cholesterol transfer and lipid metabolism and cardiovascular disease. Support or Funding Information This work was supported by the National Heart, Lung, and Blood Institute of the National Institutes of Health (2R01 HL115153‐06, R01GM104427, and P01HL030086). Work conducted at the Molecular Foundry was supported by the Office of Basic Energy Sciences of the Office of Science at the U.S. Department of Energy under Contract No. DE‐AC02‐05CH11231 . This abstract is from the Experimental Biology 2019 Meeting. There is no full text article associated with this abstract published in The FASEB Journal .

Li, Jennifer Jinping↗
DOE OSTI2023

Simulating and Optimizing Quantum State Transport

The goal of this project was to produce an accurate simulator of the “pitch and catch” process of sending quantum states between SRF cavities, and to find a method for optimizing the control pumps. We developed a program in C++ to integrate the equations of motion with high speed and precision, and used this as a basis for finding an optimal control function to maximize the state transfer efficiency. To demonstrate this we have shown an example of an optimal drive function and the resulting system dynamics, as well as a heat map of the cost function for a range of drive amplitudes.

Weston, Jacob↗