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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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15 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Development of a TSR-based method for understanding structural relationships of cofactors and local environments in photosystem I

All chemical forms of energy and oxygen on Earth are generated via photosynthesis where light energy is converted into redox energy by two photosystems (PS I and PS II). There is an increasing number of PS I 3D structures deposited in the Protein Data Bank (PDB). The Triangular Spatial Relationship (TSR)-based algorithm converts 3D structures into integers (TSR keys). A comprehensive study was conducted, by taking advantage of the PS I 3D structures and the TSR-based algorithm, to answer three questions: (i) Are electron cofactors including P700, A -1 and A 0 , which are chemically identical chlorophylls, structurally different? (ii) There are two electron transfer chains (A and B branches) in PS I. Are the cofactors on both branches structurally different? (iii) Are the amino acids in cofactor binding sites structurally different from those not in cofactor binding sites? The key contributions and important findings include: (i) a novel TSR-based method for representing 3D structures of pigments as well as for quantifying pigment structures was developed; (ii) the results revealed that the redox cofactor, P700, are structurally conserved and different from other redox factors. Similar situations were also observed for both A -1 and A 0 ; (iii) the results demonstrated structural differences between A and B branches for the redox cofactors P700, A -1 , A 0 and A 1 as well as their cofactor binding sites; (iv) the tryptophan residues close to A 0 and A 1 are structurally conserved; (v) The TSR-based method outperforms the Root Mean Square Deviation (RMSD) and the Ultrafast Shape Recognition (USR) methods. The structural analyses of redox cofactors and their binding sites provide a foundation for understanding the unique chemical and physical properties of each redox cofactor in PS I, which are essential for modulating the rate and direction of energy and electron transfers.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Bacterial vampirism mediated through taxis to serum

Bacteria of the family Enterobacteriaceae are associated with gastrointestinal (GI) bleeding and bacteremia and are a leading cause of death, from sepsis, for individuals with inflammatory bowel diseases. The bacterial behaviors and mechanisms underlying why these bacteria are prone to bloodstream entry remain poorly understood. Herein, we report that clinical isolates of non-typhoidal Salmonella enterica serovars, Escherichia coli , and Citrobacter koseri are rapidly attracted toward sources of human serum. To simulate GI bleeding, we utilized an injection-based microfluidics device and found that femtoliter volumes of human serum are sufficient to induce bacterial attraction to the serum source. This response is orchestrated through chemotaxis and the chemoattractant L-serine, an amino acid abundant in serum that is recognized through direct binding by the chemoreceptor Tsr. We report the first crystal structures of Salmonella Typhimurium Tsr in complex with L-serine and identify a conserved amino acid recognition motif for L-serine shared among Tsr orthologues. We find Tsr to be widely conserved among Enterobacteriaceae and numerous World Health Organization priority pathogens associated with bloodstream infections. Lastly, we find that Enterobacteriaceae use human serum as a source of nutrients for growth and that chemotaxis and the chemoreceptor Tsr provide a competitive advantage for migration into enterohemorrhagic lesions. We define this bacterial behavior of taxis toward serum, colonization of hemorrhagic lesions, and the consumption of serum nutrients as ‘bacterial vampirism’, which may relate to the proclivity of Enterobacteriaceae for bloodstream infections.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Thermodynamic Consistent Neural Networks for Learning Material Interfacial Mechanics

For multilayer materials in thin substrate systems, interfacial failure is one of the most challenges. The traction-separation relations (TSR) quantitatively describe the mechanical behavior of a material interface undergoing openings, which is critical to understand and predict interfacial failures under complex loadings. However, existing theoretical models have limitations on enough complexity and flexibility to well learn the real-world TSR from experimental observations. A neural network can fit well along with the loading paths but often fails to obey the laws of physics, due to a lack of experimental data and understanding of the hidden physical mechanism. In this paper, we propose a thermodynamic consistent neural network (TCNN) approach to build a data-driven model of the TSR with sparse experimental data. The TCNN leverages recent advances in physics-informed neural networks (PINN) that encode prior physical information into the loss function and efficiently train the neural networks using automatic differentiation. We investigate three thermodynamic consistent principles, i.e., positive energy dissipation, steepest energy dissipation gradient, and energy conservative loading path. All of them are mathematically formulated and embedded into a neural network model with a novel defined loss function. A real-world experiment demonstrates the superior performance of TCNN, and we find that TCNN provides an accurate prediction of the whole TSR surface and significantly reduces the violated prediction against the laws of physics.

Zhang, Jiaxin↗
DOE OSTI2023

Molecular and functional properties of human Plasmodium falciparum CSP C-terminus antibodies

Human monoclonal antibodies (mAbs) against the central repeat and junction domain of Plasmodium falciparum circumsporozoite protein (PfCSP) have been studied extensively to guide malaria vaccine design compared to antibodies against the PfCSP C terminus. Here, we describe the molecular characteristics and protective potential of 73 germline and mutated human mAbs against the highly immunogenic PfCSP C-terminal domain. Two mAbs recognized linear epitopes in the C-terminal linker with sequence similarity to repeat and junction motifs, whereas all others targeted conformational epitopes in the α-thrombospondin repeat (α-TSR) domain. Specificity for the polymorphic Th2R/Th3R but not the conserved RII+/CS.T3 region in the α-TSR was associated with IGHV3-21/IGVL3-21 or IGLV3-1 gene usage. Although the C terminus specific mAbs showed signs of more efficient affinity maturation and class-switching compared to anti-repeat mAbs, live sporozoite binding and inhibitory activity was limited to a single C-linker reactive mAb with cross-reactivity to the central repeat and junction. The data provide novel insights in the human anti-C-linker and anti-α-TSR antibody response that support exclusion of the PfCSP C terminus from malaria vaccine designs.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Impacts of the Addition of Sodium Reactor Experiment (SRE) and DR-3 Fuel from H-Canyon to Tank 40 on Acid Stoichiometry and Hydrogen Production

H-Canyon plans to discard Sodium Reactor Experiment (SRE) material that is currently stored in Tanks 16.3 and 16.4. Savannah River Remediation (SRR) determined that a portion of the SRE material can be added to Sludge Batch 9 (SB9) in Tank 40 and the remainder will be added to Sludge Batch 10 (SB10) that is currently being prepared in Tank 51. A processing flowsheet for both the nitric-formic acid flowsheet and the nitric-glycolic acid flowsheet were previously developed for SB9 sludge-only and coupled operation with the Actinide Removal Process – Modular Caustic Side Solvent Extraction Unit (ARP-MCU) and the Salt Waste Processing Facility (SWPF). Due to the compositional change in Tank 40 after the addition of SRE material, it is necessary to determine the influence on the acid stoichiometry operating window and hydrogen production for SB9 processing. An assessment was completed to address the influence of an addition of SRE and DR-3 Fuel from H-Canyon on the chemistry of Tank 40, the defined acid stoichiometry window (with and without SWPF streams) for the nitric-formic and nitric-glycolic acid flowsheets, and the resulting influence of the hydrogen production. Hydrogen production during the SRAT/SME cycles consists of thermolytic, radiolytic, and catalytic hydrogen. For the nitric-formic acid flowsheet, catalytic hydrogen dominates the hydrogen production during DWPF operation mode for the SRAT and SME vessels. This report was written to summarize that assessment. No SRNL testing is needed prior to adding up to 7,100 additional gallons of SRE and DR-3 Fuel from H-Canyon to Tank 40. Also, the addition of SRE will not exceed the Shielded Cells reported values for catalytic hydrogen for either the nitric-formic acid flowsheet (Technical Safety Requirement (TSR) limit of 0.15 lb/h) or the nitric-glycolic acid flowsheet (TSR limit 0.024 lb/h). The addition of the ARP stream from SWPF and the use of the nitric-glycolic acid flowsheet are both expected to decrease hydrogen generation, leading to a larger safety margin in the CPC.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Safety Basis Compliant Flexible Operations [Capstone Project]

Compliant nuclear operations must be weighed against the radiological risk to the worker, public, and the environment. This project set out to look at one facility at Los Alamos National Laboratory (LANL or the Laboratory) and compare the risk with the operational restrictions associated with the Technical Safety Requirements (TSRs). The hope was to identify controls that could be reduced or simplified while maintaining compliance with 10 CFR 830, Nuclear Safety Management. This would result in increasing facility operational flexibility and efficiency. Controls were identified to be simplified or eliminated based on risk. This identification was initially envisioned from the perspective of reanalysis of the accident and hazard analysis consequences. Additionally, it was envisioned that fire testing could show that the consequences of a fire are not as dramatic as analyzed. Specific facility controls were identified that cause operational inefficiencies. Based on data collection, two controls were identified for further evaluation. The first control was combustible loading within the waste storage buildings, and the second control is related to the seismic power cutoff switch. In evaluating the combustible loading control, the thought is that the fire suppression system (FSS) provides adequate protection and the combustible loading controls do not need elevation to a TSR control. The FSS, along with the Fire Protection Program, would provide protection to prevent a fire from impacting large amounts of stored waste material. The seismic switch was more of a challenge. When reviewing the facility operation, it was determined that the facility does not operate anywhere near the established material-at-risk (MAR – radioactive material) limits. By adjusting these limits, a reduced consequence could be achieved and hence, a significant risk reduction achieved. A new operating mode would be used to achieve this reduction. A reduced MAR limit was successfully used as a test case for snow removal during this project. This project expands on that trial case as related to combustible loading and the seismic power cutoff switch TSRs. This will increase the efficiency of operations with reduced TSR controls while reducing overall facility risk. This is a win-win situation for Triad National Security, LLC (Triad) and the U.S. Department of Energy (DOE). Due to schedule and budgetary constraints, not all envisioned work scope was accomplished. However, it is maintained in this report for future efforts.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2026

Numerical Modeling of a Two-Stage Ocean Current Turbine

The Equinox Ocean Turbines (EQOT) current energy converter has a unique design with power generation in two small-diameter turbines attached to the tips of a large-diameter passive rotor. This configuration offers some key advantages for capturing ocean currents. With no centrally placed generator, almost no reaction torque is required at the nacelle of the main large-diameter rotor, and the small-diameter tip turbine generators operate at a higher speed and lower torque. The physics that determine the performance and loads on the turbine are also unique. The interactions of the flow field between the two stages and the general architecture of the system cannot be captured with traditional mid-fidelity modeling tools. For design iterations and large sets of load cases, it is important to have mid-fidelity models that can capture the important phenomenon with enough accuracy to identify global trends. This work uses a limited set of high-fidelity computational fluid dynamics (CFD) simulations to help inform the selection of and construction of a custom mid-fidelity model. Mid-fidelity modeling approaches were verified by comparing key turbine performance quantities to those found with the CFD model. Hydrodynamic interactions of the two-stage rotor were identified through high-fidelity CFD modeling. This highlighted the impact of the main rotor tip vortex and wake on the secondary rotor apparent inflow. This results in a relative flow rotation and sharp deficit, that change the optimal secondary rotor rotation speed and adds unsteadiness to the blade loading respectively. Multiple mid-fidelity approaches were evaluated for their ability to capture these effects. A simple approximation of the combined-stage performance based on single-stage BEM provides a reasonable rough prediction, especially near the peak TSR values, with some larger discrepancy at higher TSRs. Predicting the combined-stage performance based on single-stage CFD data improves this prediction across the TSR range. Although the combined-stage modeling in OLAF was not successful in this stage of the project, it showed promise as a mid-fidelity method, assuming the parameters can be tuned to account for the significant differences in time and length scales between the main and secondary rotors. This may be addressed through code changes in future work. A significant finding from the OLAF work was the agreement between the vortex core radius values found independently via a parameter space search and via CFD. The technique of using single-stage secondary rotor BEM, with a custom inflow taken from single-stage main rotor CFD or OLAF, provides an efficient method to capture one-way coupled flow interactions. This method provided generally good predictions of the impact of the flow rotation on the secondary rotor but struggled to accurately predict the peaks of the unsteady load progression. Future work could include some superposition of a tuned main rotor trailing edge viscous wake into the custom inflow to better predict this interaction.

16 TIDAL AND WAVE POWER↗
DOE OSTI2020

Low-temperature spin dynamics in the TmFeO 3 orthoferrite with a non-Kramers ion

We investigate the magnetic dynamics of the orthorhombic perovskite TmFeO 3 at low temperatures, below the spin reorientation transition at TSR≈80 K, by means of time-of-flight neutron spectroscopy. We find that the magnetic excitation spectrum combines two emergent collective modes associated with different magnetic sublattices. The Fe subsystem orders below TN~632 K into a canted antiferromagnetic structure and exhibits sharp, high-energy magnon excitations. We describe them using linear spin-wave theory, and reveal a pronounced anisotropy between in- and out-of-plane exchange interactions, which was mainly neglected in previous reports on the spin dynamics in orthoferrites. At lower energies, we find two crystalline electrical field (CEF) excitations of Tm3+ ions at energies of ~2 and 5 meV. In contrast to the sister compound YbFeO 3 , where the Yb 3+ ions form quasi-one-dimensional chains along the c axis, the Tm excitations show dispersion along both directions in the (0KL) scattering plane. Analysis of the neutron scattering polarization factor reveals a longitudinal polarization of the 2 meV excitation. To evaluate the effect of the CEF on the Tm 3+ ions, we perform point-charge model calculations, and their results quantitatively capture the main features of Tm single-ion physics, such as energies, intensities, and polarization of the CEF transitions, and the type of magnetic anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Large-eddy simulations of turbulent wake flows behind helical- and straight-bladed vertical axis wind turbines rotating at low tip speed ratios

Turbulent wake flows behind helical- and straight-bladed vertical axis wind turbines (VAWTs) rotating at low tip speed ratios (TSRs) are studied numerically. The turbulent flows are simulated using the large-eddy simulation (LES) model, and the rotating turbine blades are modeled using the actuator line method. The helical VAWT has identical key parameters as the straight VAWT except for the 135° helical twist of the blades over the 0.3m vertical span. A set of LES runs are performed for two TSRs, 0.6 and 0.4, and the results are reported and analyzed. At these low TSRs, the wake behind the straight-bladed VAWT exhibits two-dimensional dominant flow motions (in the horizontal plane perpendicular to the straight blades) in the near-wake region that cause considerable spanwise expansion of the wake as it extends downstream. In contrast, the helical-bladed VAWT generates highly three-dimensional (3D) wake flow structures and upward/downward mean flow motions within the wake that cause the wake to expand mainly in the vertical direction. Turbulence statistical analyses also show that the 3D wake flow features induced by the helical blades accelerate the wake transition to turbulence and enhance the small-scale turbulent dissipation (as shown by the subgrid-scale turbulent dissipation in the LES), which leads to a more rapid decay of the wake turbulence intensity than that in the straight-bladed VAWT case at the same TSR. Finally, compared with the straight-bladed VAWT, the helical-bladed VAWT also exhibits much smaller temporal variations for the torque and power coefficients during the rotation cycle, which can be beneficial for wind power generation.

17 WIND ENERGY↗
DOE OSTI2021

Design of high-deflection foils MHK applications - CFD models - Helical turbines

The Ocean Renewable Power Company's (ORPC's) goal is to design, develop, and test hydrofoils with large deflections. The effects of the deflections on cross-flow turbine performance would be evaluated in order to inform design considerations for full-scale water turbines and other marine hydrokinetic devices. CFD models of helical model scale turbines tested at UNH OpenFOAM v1912 Tip Speed Ratio (TSR) = 3.00 Different strut configurations

16 TIDAL AND WAVE POWER↗
DOE OSTI2020

TMS XTRRA experiments on NIF

The study of x-ray induced rapid heating and the resulting material responses - (thermomechanical shock (TMS) and thermo-structural response (TSR)) - is important to our understanding of material behavior in extreme environments. A series of high conversion efficiency (XRCE) x-ray sources have been developed for the NIF laser facility ranging in fluence and spectral content. In conjunction with source development, we have developed a new XTRRA (X-ray Transport and Radiation Response Analysis) test cassette to hold a set of samples, each at equal distance from target chamber center (TCC) where the x-ray source is placed. Design and performance details of the x-ray sources is discussed elsewhere. Here, we describe the development and use of this TMS XTRRA test cassette. The XTRRA test cassette is a snout mounted on a NIF Diagnostic Instrument Manipulator (DIM) designed to position six samples equidistant from the x-ray source to assure uniform irradiation of all samples. Photon Displacement interferometry (PDI) is used to measure the displacement of the rear surface of each sample resulting from x-ray exposure on the front of the sample. This will help determine the x-ray generated impulse on the sample. The samples are retrieved from the snout after the shot for inspection and post-shot analysis including the measurement of sample ablated mass and engineering tests examining changes in the material structure. The data from experiments are compared to predictions from LLNL’s ASC codes and used to inform models implemented in these codes. Thus, XRCE x-ray sources with the XTRRA snout at the National Ignition Facility (NIF) laser at the Lawrence Livermore National Laboratory [1,2] provide the ability to expose a broad range of material samples directly to high x-ray fluence, measure shock transits, and recover the sample for further analysis post-shot.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thermo-Mechanical Shock, X-Ray Transport and Radiation Response Analysis Experiments on NIF

The study of x-ray induced rapid heating and the resulting material responses - (thermomechanical shock (TMS) and thermo-structural response (TSR)) - is important to our understanding of material behavior in extreme environments. A series of high conversion efficiency (XRCE) x-ray sources have been developed for the NIF laser facility ranging in fluence and spectral content. In conjunction with source development, we have developed a new XTRRA (X-ray Transport and Radiation Response Analysis) test cassette to hold a set of samples, each at equal distance from target chamber center (TCC) where the x-ray source is placed. Design and performance details of the x-ray sources is discussed elsewhere. Here, we describe the development and use of this TMS XTRRA test cassette. The XTRRA test cassette is a snout mounted on a NIF Diagnostic Instrument Manipulator (DIM) designed to position six samples equidistant from the x-ray source to assure uniform irradiation of all samples. Photon Displacement interferometry (PDI) is used to measure the displacement of the rear surface of each sample resulting from x-ray exposure on the front of the sample. This will help determine the x-ray generated impulse on the sample. The samples are retrieved from the snout after the shot for inspection and post-shot analysis including the measurement of sample ablated mass and engineering tests examining changes in the material structure. The data from experiments are compared to predictions from LLNL’s ASC codes and used to inform models implemented in these codes. Thus, XRCE x-ray sources with the XTRRA snout at the National Ignition Facility (NIF) laser at the Lawrence Livermore National Laboratory provide the ability to expose a broad range of material samples directly to high x-ray fluence, measure shock transits, and recover the sample for further analysis post-shot.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Sludge Batch 10 (SB10) Acceptance Evaluation: Radionuclide Concentrations in Tank 51 Washed Qualification Sample

Savannah River National Laboratory (SRNL) has been tasked with the radionuclide characterization of the washed Sludge Batch 10 (SB10) qualification sample. The washed SB10 qualification sample is based on SRR Engineering guidance and the sample slurry is expected to be similar in composition to Tank 51 slurry after final preparations for transfer to Tank 40. Forty-four radionuclides along with total alpha and beta activity have been reported herein. These radionuclide measurements are required for the Defense Waste Processing Facility (DWPF) Radiological Evaluation Program, DWPF Technical Safety Requirements (TSR)/Waste Acceptance Criteria (WAC) Evaluation, and the DWPF Solid Waste Characterization Program.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

A Power Takeoff Device for a Small Marine Hydrokinetic Turbine Deployed from an Unmanned Floating Platform

The design, development, and field-testing of a power takeoff (PTO) device equipped with a ball-type continuously-variable transmission (B-CVT) for a small marine hydrokinetic (MHK) turbine deployed from a floating unmanned autonomous mobile catamaran platform is described. The turbine is a partially-submerged multi-blade undershot waterwheel (USWW). The objective is to develop a PTO for the optimal conversion of the MHK energy harnessed by the turbine to electric power, which is stored in battery banks onboard the MHK platform. Modeling, simulation, and bench testing of the USWW and PTO show the feasibility of utilizing the B-CVT's variable gear ratio to decouple the USWW and generator speeds, maintaining the waterwheel within its optimal tip speed ratio (TSR) while varying the generator speed, thereby increasing the efficiency of the PTO. Results of bench and field testing in support of characterizing the power conversion capabilities of the PTO are described. The system being developed is in support of potential self-powered autonomous mobile recharge stations for unmanned aerial vehicles (U A V s) operating in coastal zones. Field tests of the complete MHK platform with 9 blades on the waterwheel and wheel sub mergences of 10 and 12 inches (full blade submergence) were performed. The overall proof-of-concept was successfully demonstrated, with the system satisfactorily capturing and converting water flow energy into electricity. The feasibility of utilizing the B-CVT as a means of increasing the PTO power capture capabilities and efficiency is analyzed.

Pimentel, Hugo↗
DOE OSTI2022

Integral Experiment Final Design for Thermal/Epithermal eXperiments (TEX) using Highly Enriched Uranium with Polyethylene at Low Temperature (IER-479 CED-2 Report)

The goal of IER-479 is to design uranium critical experiments that can be used to validate low temperature cross sections and criticality safety analyses over multiple neutron energy regimes. Currently, there are no benchmarks in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) handbook at temperatures lower than room temperature (International Criticality Safety Benchmark Evaluation Project Handbook, 2019). However, there are many needs for validation of criticality safety analysis at lower temperatures, including meeting transportation requirements and operations conducted outside or in unheated facilities. Additionally, NCSP has funded North Carolina State (NCSU) to generate new thermal scattering laws, including at lower temperatures, and the lack of integral benchmarks impedes data testing of these new cross sections. To address these needs, this report will present a critical experiment design covering various fission energy regimes with a goal temperature of -40°C (-40°F), which is based on the lower bound of expected non-cryogenic operational temperatures. The goal of the U.S. Nuclear Criticality Safety Program’s (NCSP) Thermal/Epithermal eXperiments (TEX) is to design and conduct new critical experiments to address high priority nuclear data needs from the nuclear criticality safety and nuclear data communities. The TEX program includes two series of baseline experimental configurations, one based on plutonium fuel (plutonium-aluminum Zero Power Physics Reactor (ZPPR) plates) and the other based on uranium fuel (highly enriched uranium (HEU) plates), that are moderated with varying thickness of polyethylene to create assemblies which span the thermal, intermediate, and fast fission energy regimes. The configurations are designed to be easily modified (for example, to add diluent materials of interest) to allow for efficient generation of additional benchmark configurations and allow for added nuclear data testing utility when comparing modified configurations to baseline configurations. The goal of IER-479 is to use the TEX-HEU concept (stack of HEU plates and polyethylene moderators) to design a critical experiment that can be used to validate low temperature cross sections and criticality safety analyses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗