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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrP by Materials Project

SrP is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six P2- atoms. There are two shorter (3.12 Å) and four longer (3.20 Å) Sr–P bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six P2- atoms. There are four shorter (3.05 Å) and two longer (3.12 Å) Sr–P bond lengths. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded to six Sr2+ and one P2- atom to form a mixture of distorted face, edge, and corner-sharing PSr6P pentagonal bipyramids. The P–P bond length is 2.26 Å. In the second P2- site, P2- is bonded to six Sr2+ and one P2- atom to form a mixture of distorted face, edge, and corner-sharing PSr6P pentagonal bipyramids. The P–P bond length is 2.32 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Heterovalent Substitution of K 2 SrP 2 O 7 :Cr 3+ to Achieve Anti-Thermal-Quenching Broadband Near-Infrared Luminescence

Broadband near-infrared (NIR) light sources based on phosphor-converted light-emitting diodes are highly desirable for biochemical analysis and medical diagnosis applications. However, thermal quenching remains a demanding challenge for developing efficient NIR phosphors. Herein, we report the enhancement of both quantum efficiency and thermal stability in Cr 3+ -activated K 2 SrP 2 O 7 phosphors through a heterovalent substitution strategy by replacing Sr 2+ with Al 3+ in K 2 Sr 1–x Al x P 2 O 7 (0.05 ≤ x ≤ 0.2) to obtain optimized broadband NIR emission. Structural modulation via Al 3+ substitution leads to the optimized composition, K 2 Sr 0.88 Al 0.1 P 2 O 7 :0.02Cr 3+ , which emits across a broad NIR range of 650–1100 nm peaking at 807 nm with a full width at half-maximum of ∼130 nm under 448 nm excitation. Remarkably, its emission intensity at 150 °C remains 120% of the initial value at room temperature, demonstrating a rare antithermal-quenching behavior. Temperature-dependent XRD studies further reveal that Al 3+ substitution effectively suppresses lattice expansion at elevated temperatures, indicating enhanced lattice stability under thermal excitation. Detailed structural and spectral analyses show that the substitution enhances local site symmetry, reduces electron–phonon coupling, increases thermally induced absorption probability, and fortifies energetic barriers against nonradiative transitions. These synergistic effects collectively endow this NIR phosphor with a superior thermal stability. Furthermore, NIR light-emitting diodes fabricated with this phosphor exhibit strong potential for applications in information identification, nondestructive detection, and night vision technologies. This study demonstrates a local structure engineering strategy for designing thermally robust Cr 3+ -activated NIR phosphors, offering valuable insights into material discovery and NIR spectroscopy device development.

Cr3+↗
DOE OSTI2023

FY22 Year End Report of Delivery Environments Predictive Capabilities Use in Analysis of SRP Programs

As was established in a previous milestone report for FY20, W-13 continues to be tasked with analyses that require knowledge of in-flight environments and require an in-house capability to generate such environments. To this end, FY21 work included obtaining and benchmarking the use of such tools for an in-house capability. With these tools available for analysis tasks, FY22 work has been to continue the development of analysis for Responsive Development Experiment (ReDX) flights in the Stockpile Responsiveness Program (SRP). While no flights were executed in FY22 that leveraged internal flight analysis., this report shows that both CBAERO and TAOS were used in W-13 under the Delivery Environments Program for the FY22 milestone in order to predict the flight environments of ReDX flight 3 and determine preliminary environments of the Calypso flight vehicle which includes a deployable heat shield.

42 ENGINEERING↗
DOE OSTI2023

FY23 Year End Report of Delivery Environments Predictive Capabilities Use in Analysis of SRP Programs

As was established in a previous milestone report for FY20, W-13 continues to be tasked with analyses that require knowledge of in-flight environments and require an in-house capability to generate such environments. To this end, FY21 work included obtaining and benchmarking the use of such tools for an in-house capability. With these tools available for analysis tasks, ongoing work has been to continue the development of analysis capabilities and understanding while specifically using the tools for Responsive Development Experiment (ReDX) flights in the Stockpile Responsiveness Program (SRP). In FY23, design and analysis of ReDX flight 3A continued while targeting an FY24 launch date. This report shows that a variety of vehicle characterization and flight analysis tools were used in W-13, under the Delivery Environments Program. This work was performed in order to aid in vehicle design by predicting flight stability, trajectory, and induced environments while adapting to a series of changing internal payload configurations that resulted in significant changes to mass properties and associated flight stability.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2022

Heat Loss Characteristics and Energy Use of Piperazine with the Advanced Stripper (PZAS) at the UT-SRP Pilot Plant

Heat duty and heat loss were measured at the pilot plant at UT Austin. Heat loss was measured with energy balances using water. Heat loss was studied using surface temperature measurements over 68 different locations at the pilot plant. Surface temperature measurements indicated that bare metal surfaces were the primary source of heat loss from the pilot plant. Heat loss from bare metal surfaces was at least 50% controlled by natural convection and in many cases was as high as 75% natural convection controlled. Measured heat loss at the pilot plant was 20100 BTU/hr and overall heat loss did not show any dependence on the heat rate of the plant. Compared to PZAS™ at the National Carbon Capture Center, heat loss relative to heat rate was higher at 38%. The relative heat loss at the pilot plants was found to decrease by 20% per MW of added capacity. Measured net heat duty was found to be dependent on measured lean loading and cold rich bypass flow rate. Measured net heat duty was between 2.2 and 2.4 GJ/tonne at an optimum lean loading of 0.2–0.21 mol/mol. Data reconciliation by Aspen Plus® Data Fit™ underpredicted CO2 flow rate by 20% due to an overprediction of lean loading by 19%, indicating a necessary change in thermodynamic parameters in the model. This resulted in an over prediction of heat duty by 33% on average.

Amine scrubbing, stripper, energy requirement, hea↗
DOE OSTI2023

Electrophysiological Signatures of Visual Recognition Memory across All Layers of Mouse V1

In mouse primary visual cortex (V1), familiar stimuli evoke significantly altered responses when compared with novel stimuli. This stimulus-selective response plasticity (SRP) was described originally as an increase in the magnitude of visual evoked potentials (VEPs) elicited in layer 4 (L4) by familiar phase-reversing grating stimuli. SRP is dependent on NMDA receptors (NMDARs) and has been hypothesized to reflect potentiation of thalamocortical (TC) synapses in L4. However, recent evidence indicates that the synaptic modifications that manifest as SRP do not occur on L4 principal cells. To shed light on where and how SRP is induced and expressed in male and female mice, the present study had three related aims: (1) to confirm that NMDAR are required specifically in glutamatergic principal neurons of V1, (2) to investigate the consequences of deleting NMDAR specifically in L6, and (3) to use translaminar electrophysiological recordings to characterize SRP expression in different layers of V1. We find that knock-out (KO) of NMDAR in L6 principal neurons disrupts SRP. Current-source density (CSD) analysis of the VEP depth profile shows augmentation of short latency current sinks in layers 3, 4, and 6 in response to phase reversals of familiar stimuli. Multiunit recordings demonstrate that increased peak firing occurs in response to phase reversals of familiar stimuli across all layers, but that activity between phase reversals is suppressed. Together, these data reveal important aspects of the underlying phenomenology of SRP and generate new hypotheses for the expression of experience-dependent plasticity in V1. SIGNIFICANCE STATEMENT Repeated exposure to stimuli that portend neither reward nor punishment leads to behavioral habituation, enabling organisms to dedicate attention to novel or otherwise significant features of the environment. The neural basis of this process, which is so often dysregulated in neurologic and psychiatric disorders, remains poorly understood. Learning and memory of stimulus familiarity can be studied in mouse visual cortex by measuring electrophysiological responses to simple phase-reversing grating stimuli. The current study advances knowledge of this process by documenting changes in visual evoked potentials (VEPs), neuronal spiking activity, and oscillations in the local field potentials (LFPs) across all layers of mouse visual cortex. In addition, we identify a key contribution of a specific population of neurons in layer 6 (L6) of visual cortex.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Geothermal play fairway analysis, part 1: Example from the Snake River Plain, Idaho

The Snake River Plain (SRP) volcanic province overlies the track of the Yellowstone hotspot, a thermal anomaly that extends deep into the mantle. Most of the area is underlain by a basaltic volcanic province that overlies a mid-crustal intrusive complex, which in turn provides the long-term heat flux needed to sustain geothermal systems. Previous studies have identified several known geothermal resource areas within the SRP. For the geothermal study presented herein, our goals were to: (1) adapt the methodology of Play Fairway Analysis (PFA) for geothermal exploration to create a formal basis for its application to geothermal systems, (2) assemble relevant data for the SRP from publicly available and private sources, and (3) build a geothermal PFA model for the SRP and identify the most promising plays, using GIS-based software tools that are standard in the petroleum industry. The study focused on identifying three critical resource parameters for exploitable hydrothermal systems in the SRP: heat source, reservoir and recharge permeability, and cap or seal. Data included in the compilation for heat source were heat flow, distribution and ages of volcanic vents, groundwater temperatures, thermal springs and wells, helium isotope anomalies, and reservoir temperatures estimated using geothermometry. Reservoir and recharge permeability was inferred from the analysis of stress orientations and magnitudes, post-Miocene faults, and subsurface structural lineaments based on magnetics and gravity data. Data for cap or seal included the distribution of impermeable lake sediments and clay-seal associated with hydrothermal alteration below the regional aquifer. These data were used to compile Common Risk Segment maps for heat, permeability, and seal, which were combined to create a Composite Common Risk Segment map for all southern Idaho that reflects the risk associated with geothermal resource exploration and identifies favorable resource tracks. Our regional assessment indicated that undiscovered geothermal resources may be located in several areas of the SRP. Two of these areas, the western SRP and Camas Prairie, were selected for more detailed assessment, during which heat, permeability, and seal were evaluated using newly collected field data and smaller grid parameters to refine the location of potential resources. These higher resolution assessments illustrate the flexibility of our approach over a range of scales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Shallow Geothermal Potential of the Snake River Plain

The Snake River Plain (SRP) terrestrial heat flow and subsurface thermal regime are not well understood but are important for assessing the local geothermal resource potential, both for conventional and for Enhanced Geothermal Systems (EGS) development in the region. Resource evaluation for the SRP is complicated by the disparate data density, along with the known lateral advection of heat in the Eastern Snake River Plain Aquifer and vertical heat transport by fluids in the bounding faults, primarily in the southwestern section. Fortunately, recent studies, e.g., the Snake River Plain Play Fairway Analysis, the Idaho FORGE site, and site-specific investigations, which included drilling within the Camas Prairie and on the Mountain Home Air Force Base, near Twin Falls, and in the Eastern Snake River Plain as part of the HOTSPOT Project, add both additional drilling and geophysical data. The SMU Geothermal Laboratory has conducted detailed studies of SRP tectonics and heat flow since the 1970's and used this knowledge as part of the EGS geothermal potential estimation for the conterminous United States in 2006 and again in 2011, calculating geothermal potential from 3.5 km to 10 km depth. Recent temperature modeling refined the calculation methodology to estimate shallow (1 km to 4 km) resource potential using an improved thermal conductivity model and incorporation of shallow groundwater flow. By incorporating the new SRP geology, geophysics, and 206 thermal data sites into the SMU thermal modeling methodology, this project updates the resource estimate for the SRP, and generates new temperature-at-depth maps for the shallow subsurface (1 km to 4 km). The project results highlight the EGS potential resource areas (=150°C) and areas with more exploration risks based on minimal and/or low-quality data. The newest temperature modeling results suggest EGS potential is near five times greater in the SRP than previously estimated.

EGS↗
DOE OSTI2022

Accurate Free Energies for Complex Condensed-Phase Reactions Using an Artificial Neural Network Corrected DFTB/MM Methodology

Semiempirical methods like density functional tight-binding (DFTB) allow extensive phase space sampling, making it possible to generate free energy surfaces of complex reactions in condensed-phase environments. Such a high efficiency often comes at the cost of reduced accuracy, which may be improved by developing a specific reaction parametrization (SRP) for the particular molecular system. Thiol–disulfide exchange is a nucleophilic substitution reaction that occurs in a large class of proteins. Its proper description requires a high-level ab initio method, while DFT-GAA and hybrid functionals were shown to be inadequate, and so is DFTB due to its DFT-GGA descent. We develop an SRP for thiol–disulfide exchange based on an artificial neural network (ANN) implementation in the DFTB+ software and compare its performance to that of a standard SRP approach applied to DFTB. Furthermore, as an application, we use both new DFTB-SRP as components of a QM/MM scheme to investigate thiol–disulfide exchange in two molecular complexes: a solvated model system and a blood protein. Demonstrating the strengths of the methodology, highly accurate free energy surfaces are generated at a low cost, as the augmentation of DFTB with an ANN only adds a small computational overhead.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Coronado Generating Station Repowering Evaluation - Siting Evaluation

The purpose of this initial siting evaluation is to consider the suitability of the Salt River Project (SRP) owned land at/near Coronado Generating Station (CGS) for a nuclear generating station (including advanced light water reactors, light water small modular reactors, and non-light-water designs1) and to assess if there are any exclusionary or avoidance factors associated with coal to nuclear repowering at CGS. This initial siting evaluation considers several characteristics (e.g., environmental conditions, seismic concerns, site footprint, water use, etc.) and highlights favorable/preferred characteristics as well as potential risks to feasibility. The results are intended to inform SRP on the strengths and weaknesses associated with the CGS site and inform the selection of candidate nuclear technologies for the CGS site that align with SRP’s mission and business objectives. This report relies on industry-recognized siting guidance, including Electric Power Research Institute’s (EPRI’s) Siting Guide (Reference 1) 2 and Nuclear Regulatory Commission’s (NRC’s) Regulatory Guide (RG) 4.7 (Reference 3), as well as nuclear domain expertise within the Gateway for Accelerated Innovation in Nuclear (GAIN), MPR Associates, Inc. (MPR), and the Idaho National Laboratory (INL).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Influence of sampling frequency and estimation method on phosphorus load uncertainty in the Western Lake Erie Basin, Ohio, USA

Accurate estimates of nutrient loads are necessary to identify critical source areas and quantify the impact of management practices on pollutant export. Previous studies have investigated nutrient load estimate uncertainty, but they often focus on nutrient loads estimated using an interpolation method for large-scale watersheds with short-term datasets. The study objective was to quantify uncertainty in soluble reactive phosphorus (SRP), total phosphorus (TP), and suspended solids (SS) load estimates from two small (<10 3 km 2 ) agricultural watersheds in the western Lake Erie Basin resulting from different sampling frequencies. Each watershed had high temporal resolution datasets of discharge (15 min) and nutrient concentration (1 to 3 samples per day) collected over a 30-year period (1990–2020). Firstly, SRP, TP, and SS loads were calculated using the high temporal resolution datasets, which was assumed as “true loads”. Secondly, the high temporal concentration data were decomposed to semiweekly, weekly, biweekly, and monthly sampling and annual loads were estimated using four common load estimation methods to assess the effect of sampling frequency and load estimation method on load estimate error. Across the four different methods, the composite method had the lowest relative root mean square and absolute bias, but the rectangular interpolation method was the most precise. Furthermore, even with semiweekly sampling, the composite method resulted in an unacceptable level of precision (average imprecision = 39 %), while the interpolation method resulted in an unacceptable bias (average absolute bias = 16 %). Because neither method could provide acceptable accuracy and precision at the lowest decrease in sampling (e.t. semiweekly sampling), continued daily sampling is recommended in these watersheds.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Idaho National Laboratory Integrated Multisite SSHAC Level 3: Probabilistic Volcanic Hazards Assessment

The Idaho National Laboratory (INL) resides on the eastern Snake River Plain (ESRP), part of the Snake River Plain (SRP) with a complex origin and geologic history of volcanism. Much of the Quaternary (last 2.58 million years) volcanism within 400 km of INL is genetically associated with a major thermal anomaly referred to as the Yellowstone hotspot, which is currently located more than 180 km northeast of INL. Near INL, local volcanic sources include silicic domes near its southern border, and numerous dike-fed basaltic vents of the ESRP, some of which are near or within the INL boundaries. Quantitative probabilistic assessments of screened-in volcanic hazardous phenomena for nine different facility complexes at the INL are presented for a Senior Seismic Hazard Analysis Committee (SSHAC) Level 3 (SL3) study. The comprehensive, integrated multisite SSHAC study consists of a single regional Probabilistic Volcanic Hazards Assessment (PVHA) that pertains to all nine INL facility complexes, with site-specific information developed at each respective area of interest (AOI), referred to as the "INL facility AOI" (Figure ES-1). Hazard products are generated for specified INL facility AOIs for use by multiple stakeholders from different agencies in risk-informed decision-making regarding site selection, operations, and design of nuclear facilities at INL, consistent with U.S. Department of Energy (DOE) and U.S. Nuclear Regulatory Commission (NRC) regulatory guidance. The study also serves as the basis for future periodic safety assessments required for existing DOE facilities, such as 10-year evaluations of natural-phenomena hazards. Elements of the INL PVHA including initial characterization, screening, quantitative assessments of eruption and hazard potential, and consideration of facility needs are conducted using the three phases of the SSHAC process: evaluation, integration, and documentation. As per regulatory guidance, the SSHAC framework provided the necessary processes and procedures for the PVHA Technical Integration (TI) team, at three workshops, five formal working meetings and many TI team remote meetings, to conduct initial characterization, screen the volcanic hazards, create PVHA model inputs, exercise those models in the PVHA, consider facility-specific volcanic hazard needs, and perform final hazard calculations. The Participatory Peer Review Panel (PPRP) provided independent oversight and performed process and technical reviews of the PVHA throughout its duration. The study included an extensive New Data Collection and Analyses (NDCA) program developed by the PVHA TI team to reduce uncertainties in hazard-significant elements in the PVHA model. NDCA activities generated 20 reports providing important contributory datasets and results to the project database for characterizing the ESRP. For example, a report compiling the dimensions of ESRP shield volcanoes and lava fields was used to construct volcanic footprints (areas of impact), was compared with data from INL subsurface cores, and was used to validate the results of lava-flow inundation modeling on the contemporary terrain. Another example is the acquisition of aeromagnetic data over INL and its surrounding area, with maps of buried magmatic features (e.g., subsurface volcanoes and swarms of feeder dikes) that informed the PVHA conceptual model of volcanism. The SSHAC evaluation process was used to conduct all elements of the PVHA including initial characterization and screening. Existing data and NDCA activities provided the foundation to develop the tectonomagmatic conceptual model of volcanism for the region of geographical interest in the SRP and Yellowstone hotspot volcanic system, and for considering volcanoes in the western US. Considering Quaternary volcanic sources active during this period, the screening approach identified and evaluated magma compositions, types of eruptive and intrusive phenomena, types of hazardous phenomena, and proximity of sources to INL. The PVHA TI team evaluated 18 types of magmatic sources in terms of 20 potentially hazardous phenomena, resulting in 360 screening decisions. The screening process resulted in 140 screened-in hazardous volcanic phenomena for Quaternary volcanic sources 1) proximal to INL facility complexes in the ESRP (64 basaltic and 54 silicic), 2) regional sources associated with the Yellowstone caldera system and Blackfoot Reservoir volcanic field (7), and 3) more distal sources from thirteen Cascade volcanoes and two volcanoes at Long Valley caldera (CA).

58 GEOSCIENCES↗
DOE OSTI2023

Bend inducible self-folding Origami flexures and microsystems

The present disclosure relates to a spatio-temporal stimulus responsive foldable structure. The structure may have a substrate having at least a region formed to provide engineered weakness to help facilitate bending or folding of the substrate about the region of engineered weakness. The substrate is formed to have a first shape. A stimulus responsive polymer (SRP) flexure is disposed at the region of engineered weakness. The SRP flexure is responsive to a predetermined stimulus actuation signal to bend or fold in response to exposure to the stimulus actuation signal, to cause the substrate to assume a second shape different from the first shape.

Kampasi, Komal↗
DOE OSTI2020

Shallow EGS Regional Resource Potential and Map - Snake River Plain

SMU Geothermal Lab developed a methodology to estimate shallow (1 km to 4 km) Enhanced Geothermal Systems (EGS) resource potential using an approach that utilizes recent geology and geophysical research along with new well data to improve the thermal conductivity model, mitigate impacts from groundwater flow in the thermal model, and examine radioactivity data variations. By incorporating the results of the most recent projects with the SMU shallow methodology, we developed a more accurate, updated resource estimate for the Snake River Plain (SRP). The resulting maps and resource estimates can be used by the National Renewable Energy Lab (NREL), Bureau of Land Management (BLM), and the public to determine how best to move forward with future project development.

15 GEOTHERMAL ENERGY↗
DOE OSTI2025

Geochemical Phosphorus Sequestration in Tundra Soils Impedes Delivery of Bioavailable Phosphorus to the Kuparuk River, Alaska, USA: Implications for the Broader Arctic Region

Long-term river monitoring of the Kuparuk River (North Slope, Alaska, USA) confirms significant increases in solutes that are indicative of active layer thickening due to thawing permafrost. However, there is no evidence of an increase in total dissolved phosphorus (TDP) or soluble reactive phosphorus (SRP), the nutrient that limits primary production in this and similar rivers in the region. Here, we show that Mehlich-3 extractable iron (Fe) and aluminum (Al) in active layer soils impart high P geochemical sorption capacities across a range of landscape features that we would expect to promote lateral movement of water and solutes to headwater streams in our study watershed. Reanalysis of a recently published pan-Arctic soils database that includes active layer and permafrost soil samples suggests that this high P sorption capacity could be common in other parts of the Arctic region. We conclude that soil minerals enhance P retention on hillslopes and propose pedogenic secondary Fe and Al minerals may continue to retain P in these soils and limit biological productivity in the adjacent river even as active layer thickening increases potential P mobility in the watershed. We suggest that similar interactions may occur in other areas of the Arctic where comparable geochemical conditions prevail.

Sutor, Frederick W. [Univ. of Vermont, Burlington,↗
DOE OSTI2024

Building a Diverse and Inclusive HPC Community for Mission-Driven Team Science

The U.S. Department of Energy (DOE) has been a long-standing leader in driving advances in science and technology through advanced computing. However, DOE laboratories are currently facing urgent workforce challenges, particularly in terms of underrepresentation from key communities, including people of color, women, persons with disabilities, and first-generation scholars. This paper introduces the work carried out as part of the Exascale Computing Project (ECP) Broadening Participation Initiative, which aims to address workforce challenges through a lens that considers the distinct needs and culture of high-performance computing (HPC). The work focuses on three main efforts: hosting Intro to HPC Bootcamps, expanding the Sustainable Research Pathways (SRP) internship and workforce development program, and establishing an HPC Workforce Development and Retention Action Group. Finally, the paper also highlights various workforce efforts throughout the computational science community and explores opportunities for future work aimed at broadening participation in HPC.

97 MATHEMATICS AND COMPUTING↗