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At least 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Constraining composition and temperature variations in the mantle transition zone

The mantle transition zone connects two major layers of Earth’s interior that may be compositionally distinct: the upper mantle and the lower mantle. Wadsleyite is a major mineral in the upper mantle transition zone. Here, we measure the single-crystal elastic properties of hydrous Fe-bearing wadsleyite at high pressure-temperature conditions by Brillouin spectroscopy. Our results are then used to model the global distribution of wadsleyite proportion, temperature, and water content in the upper mantle transition zone by integrating mineral physics data with global seismic observations. Our models show that the upper mantle transition zone near subducted slabs is relatively cold, enriched in wadsleyite, and slightly more hydrated compared to regions where plumes are expected. This study provides direct evidence for the thermochemical heterogeneities in the upper mantle transition zone which is important for understanding the material exchange processes between the upper and lower mantle.

58 GEOSCIENCES↗
DOE OSTI2023

Dynamics of episodic supershear in the 2023 M7.8 Kahramanmaraş/Pazarcik earthquake, revealed by near-field records and computational modeling

Abstract The 2023 M7.8 Kahramanmaraş/Pazarcik earthquake was larger and more destructive than what had been expected. Here we analyzed nearfield seismic records and developed a dynamic rupture model that reconciles different currently conflicting inversion results and reveals spatially non-uniform propagation speeds in this earthquake, with predominantly supershear speeds observed along the Narli fault and at the southwest (SW) end of the East Anatolian Fault (EAF). The model highlights the critical role of geometric complexity and heterogeneous frictional conditions in facilitating continued propagation and influencing rupture speed. We also constrained the conditions that allowed for the rupture to jump from the Narli fault to EAF and to generate the delayed backpropagating rupture towards the SW. Our findings have important implications for understanding earthquake hazards and guiding future response efforts and demonstrate the value of physics based dynamic modeling fused with near-field data in enhancing our understanding of earthquake mechanisms and improving risk assessment.

Environmental Sciences & Ecology↗
DOE OSTI2024

Statistically-driven Experimental Design to Improve Reference-free Quantification of Small Molecules by Liquid Chromatography-Mass Spectrometry

Non-targeted analysis of small molecules and metabolites in unknown, complex samples using liquid chromatography-tandem mass spectrometry remains challenging. One of the main bottlenecks is the extensive unannotated regions of metabolomics mass spectrometry data, resulting in knowledge gaps. Small molecule annotation in mass spectrometry data has conventionally relied on reference standards and libraries for compound identification and confirmation, which can constrain compound identification to those molecules already known, thus limiting the ability to discover new knowledge and new markers. Retention time prediction can facilitate and expedite unknown compound identification in non-targeted analysis of complex metabolomics samples. Additionally, accurate retention time predictions can also inform sample mixture design for LC-MS/MS analyses. However, current machine learning-based methods for retention time prediction are typically developed for specific chromatographic platforms and are not generalizable across scales. And while technologies and methods to improve reference-free metabolite identification for more comprehensive annotation of unknowns has received much attention, development of the same for quantitation without reference standards has been much more limited, despite its importance in toxicological, environmental, food safety, forensics, and clinical applications. We believe that a reference-free quantitation strategy that exploits mass spectrometry data already collected for reference-free identification can provide much more insight on unknowns, and move the metabolomics field for more complete unknowns characterization. As such, we pursue two efforts to improve upon current state-of-the-art methods in non-targeted analysis: (1) machine learning-based retention time prediction and (2) statistical design of experiments framework for reference-free quantitation. In this work, we develop and demonstrate (1) a generalizable retention time prediction capability across chromatographic conditions and scales, and (2) a statistical design-based framework for response factor contribution elucidation and reference-free quantitation. Evaluation of our retention time prediction model, PrediToR, showed approximately 24% improvement over current models, and we observed approximately 10X improvement in concentration estimation accuracy from our statistical design-based response factor model over a primarily ionization efficiency-based model. We expect that future efforts to improve upon these new capabilities will further advance non-targeted analysis of small molecules towards truly reference-free metabolomics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Quantitative Evaluation of Potassium Iodide Implementation Strategies for Emergency Preparedness and Response

This study evaluates the effectiveness of potassium iodide (KI) distribution strategies in mitigating exposure to radioiodine during severe nuclear power plant accidents. This analysis quantitatively compares various KI distribution methods (pre-distributed versus stockpiles), including scenarios with and without KI administration. The results indicate that differences in distribution strategies impact the projected thyroid dose by at least an order of magnitude. The results also indicate that the timing of KI administration is critical, as expected. For scenarios involving delayed releases of significant quantities of radionuclides, evacuation is the most effective protection strategy regardless of KI distribution method. For scenarios involving rapid releases, retrieving KI from stockpiles can have a detrimental effect. Pre-distributed KI is potentially the most effective approach when used as a supplement to evacuation and sheltering. However, these model results are based on idealized conditions for KI distribution and administration; the actual benefits of KI prophylaxis are likely to be less than estimated in this report due to many variables. The results highlight the importance of considering the cost and rigor of different distribution programs and public compliance with emergency instructions. This report includes suggested research to explore KI distribution plans for advanced reactors.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Real-World Evaluation of National Energy Efficiency Potential of Cold Storage Evaporator Technology in the Context of Engine Start-Stop Systems

National concerns over energy consumption and emissions from the transportation sector have prompted regulatory agencies to implement aggressive fuel economy targets for light-duty vehicles through the U.S. National Highway Traffic Safety Administration/Environmental Protection Agency (EPA) Corporate Average Fuel Economy (CAFE) program. Automotive manufacturers have responded by bringing competitive technologies to market that maximize efficiency while meeting or exceeding consumer performance and comfort expectations. In a collaborative effort among Toyota Motor Corporation, Argonne National Laboratory (ANL), and the National Renewable Energy Laboratory (NREL), the real-world savings of one such technology is evaluated. A commercially available Toyota Highlander equipped with two-phase cold storage technology was tested at ANL’s chassis dynamometer testing facility. The cold storage technology maintains the thermal state of air-conditioning evaporators to enable longer and more frequent engine-off operation in vehicles equipped with start-stop functionality. Test results were analyzed and provided to NREL where a novel simulation framework was developed and calibrated to the test data. The vehicle model was then exercised over a large set of real-world drive cycle and ambient condition data to estimate national-level fuel economy benefits. Results indicate that the cold storage evaporator provided national fuel consumption reductions of 0.113% relative to a conventional evaporator in the same vehicle. In addition, when the cold storage evaporator engine stop/start was enabled for any temperature and the baseline was limited to the EPA menu, Start and Stop credit assumption of 27°C, a national fuel savings of 0.497% was found. Fuel savings resulted from a combination of extended engine-off duration during idle events and increased frequency of deceleration fuel cutoff, both enabled by the ability of the cold storage evaporator to maintain thermal state in situations where air conditioning is active.

DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Sensitivity of the Cherenkov Telescope Array to spectral signatures of hadronic PeVatrons with application to Galactic Supernova Remnants

The local Cosmic Ray (CR) energy spectrum exhibits a spectral softening at energies around 3 PeV. Sources which are capable of accelerating hadrons to such energies are called hadronic PeVatrons. However, hadronic PeVatrons have not yet been firmly identified within the Galaxy. Several source classes, including Galactic Supernova Remnants (SNRs), have been proposed as PeVatron candidates. The potential to search for hadronic PeVatrons with the Cherenkov Telescope Array (CTA) is assessed. The focus is on the usage of very high energy γ-ray spectral signatures for the identification of PeVatrons. Assuming that SNRs can accelerate CRs up to knee energies, the number of Galactic SNRs which can be identified as PeVatrons with CTA is estimated within a model for the evolution of SNRs. Additionally, the potential of a follow-up observation strategy under moonlight conditions for PeVatron searches is investigated. Statistical methods for the identification of PeVatrons are introduced, and realistic Monte-Carlo simulations of the response of the CTA observatory to the emission spectra from hadronic PeVatrons are performed. Based on simulations of a simplified model for the evolution for SNRs, the detection of a γ-ray signal from in average 9 Galactic PeVatron SNRs is expected to result from the scan of the Galactic plane with CTA after 10 h of exposure. Finally, CTA is also shown to have excellent potential to confirm these sources as PeVatrons in deep observations with $\mathscr{O}$ (100) hours of exposure per source.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Life cycle assessment of railway ties fabricated with ductile cementitious composites and carbonation curing

This paper evaluates the lifecycle economic and environmental benefits of implementing CO 2 utilization and storage within advanced engineered cementitious composite (ECC) railway ties. Using CO 2 -treated ECC ties can yield lifecycle benefits primarily due to enhanced material properties – increased lifespan in this case – instead of due to the stored CO 2 that would otherwise enter the atmosphere. Sequestration-based policies such as 45Q in the United States would therefore not incentivize deployment of ECC railway ties, despite their considerable CO 2 avoidance opportunities. To reach these conclusions, cradle-to-grave lifecycle models were developed for ECC ties and conventional concrete ties and evaluated under 1000 possible use-phase scenarios. The models incorporated premature tie failures – consistent with real-world observations – that were used to study a wide range of non-linear impacts arising from the random nature of tie failures and replacements. The results show that past studies that neglected premature failure of ties may have underestimated lifecycle greenhouse gas (GHG) emissions of concrete rail ties by nearly three times. Overall, servicing a track with ECC ties instead of concrete ties can reduce the lifecycle costs and GHG emissions by 12% and 21% respectively, based on median values of 1000 model run results. The expected benefits would be larger for entities like Amtrak that plan to expand concrete tie infrastructure despite significant challenges with premature concrete tie failures. Furthermore, the results of this study suggest that the lifespan of ECC ties needs to be at least 25% longer than concrete ties to achieve net lifecycle benefits. The possibility of this should be tested and confirmed under real-world conditions.

42 ENGINEERING↗
DOE OSTI2021

Role of thermo-mechanical gyrations on the α/β interface stability in a Ti6Al4V AM alloy

Fluctuating energy distributions experienced during Additive Manufacturing yield an evolution of spatial and temporal transients within a part. In general, the in-situ monitoring of these transients is near to impossible during manufacturing. In order to then gain perspective into the impact on these localized thermo-mechanical transients on the interface stability, rapid thermo-mechanical reversals with known boundary conditions are imposed on an AM Ti6Al4V alloy which resulted in a phase transformation leading to an increased β phase stability. Our goal with this study is to comprehend the kinetics of this phase transformation with concepts of stored energy due to plastic strain accumulation and diffusion kinetics. Atom Probe Tomography is employed to study the partitioning of the solute elements across the interface. As expected, the thermo-mechanically cycled samples showed a reduced Vanadium concentration across the β phase. Finally, this concentration profile across the interface, alongside a full-width-half-max analysis, provided insight on the potential phase transformation kinetics involved in the α → β transformation subject to thermo- mechanical gyrations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Evaluating Autoxidation Radical Scavengers and Additives to Enhance Aminopolymer Sorbent Stability

Solid amine sorbents have shown promise in the removal of ultradilute CO 2 from the atmosphere. Despite being a promising candidate material type for this application, these sorbents are prone to degradation during long-term exposure to environmental components such as CO 2 , O 2 , and H 2 O, with amine oxidation being a particularly challenging problem. In this study, we investigate the potency of different radical scavengers and additives in mitigating the degradation of a model poly- (ethylenimine) (PEI)/Al 2 O 3 sorbent under direct air capture (DAC)-relevant conditions. The results reveal that a 4,4′-bis(α,α- dimethylbenzyl)diphenylamine (BDDPA)-incorporated PEI/Al 2 O 3 sorbent showed the most resistance toward oxidative degradation at varying exposure times and BDDPA loadings under CO 2 -free air (21% O 2 /balance N 2 ) at 120 °C. Interestingly, under humid (∼43% relative humidity (RH) at 26 °C) and dry 0.04% CO 2 -air, the BDDPA/PEI/Al 2 O 3 sorbent showed enhanced sorbent stability both at 70 and 120 °C after 4.5 h of exposure. Under humid CO 2 -free air, at 120 °C, the antioxidant performance slightly declined (in comparison to the dry CO 2 -free air condition) but displayed a much higher stability than the pristine sorbent. Overall, the ability of BDDPA to inhibit sorbent degradation under dry and humid, CO 2 -free and CO 2 -containing (0.04%) air at intermediate (70 °C) and elevated (120 °C) temperatures is promising in prolonging sorbent stability and underscores the importance of performing accelerated oxidation studies in the presence of all species that are expected to be present in DAC processes to identify suitable stabilization treatments for sorbent materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Stress-dependent activation entropy in thermally activated cross-slip of dislocations

Cross-slip of screw dislocations in crystalline solids is a stress-driven thermally activated process essential to many phenomena during plastic deformation, including dislocation pattern formation, strain hardening, and dynamic recovery. Molecular dynamics (MD) simulation has played an important role in determining the microscopic mechanisms of cross-slip. However, due to its limited timescale, MD can only predict cross-slip rates in high-stress or high-temperature conditions. The transition state theory can predict the cross-slip rate over a broad range of stress and temperature conditions, but its predictions have been found to be several orders of magnitude too low in comparison to MD results. This discrepancy can be expressed as an anomalously large activation entropy whose physical origin remains unclear. Here, we resolve this discrepancy by showing that the large activation entropy results from anharmonic effects, including thermal softening, thermal expansion, and soft vibrational modes of the dislocation. We expect these anharmonic effects to be significant in a wide range of stress-driven thermally activated processes in solids.

Science & Technology - Other Topics↗
DOE OSTI2024

Generalized symmetries, gravity, and the swampland

Generalized global symmetries are a common feature of many quantum field theories decoupled from gravity. By contrast, in quantum gravity/the Swampland program, it is widely expected that all global symmetries are either gauged or broken, and this breaking is in turn related to the expected completeness of the spectrum of charged states in quantum gravity. We investigate the fate of such symmetries in the context of 7D and 5D vacua realized by compact Calabi-Yau spaces with localized singularities in M theory. We explicitly show how gravitational backgrounds support additional dynamical degrees of freedom which trivialize (i.e., “break”) the higher symmetries of the local geometric models. Local compatibility conditions across these different sectors lead to gluing conditions for gauging higher-form and (in the 5D case) higher-group symmetries. This also leads to a preferred global structure of the gauge group and higher-form gauge symmetries. In cases based on a genus-one fibered Calabi-Yau space, we also get an F-theory model in one higher dimension with corresponding constraints on the global form of the gauge group. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2021

Wash Vehicle Fleet Sizing for Contingency Planning Against Dust Storms: Preprint

Wash vehicles containing either high- or low-pressure water sprayers, a collection of rotating brushes, or a combination of these, are frequently utilized in concentrating solar power (CSP) plants to maintain a high level of optical efficiency in the solar field. In recent years, multiple modeling approaches have been developed to obtain fleet sizes and mirror-washing schedules that optimize the tradeoff of vehicle capital and use costs and labor versus lost revenues due to soiling. These planning models cover normal operating conditions well but do not consider rare events such as dust storms which can a significant reduction in receiver productivity, or shut down operations until most or all of the solar field’s mirrors have been cleaned. To that end, we propose a methodology that evaluates whether additional capital should be deployed to hedge against these events by weighing the net present value of the expected benefits against the capital costs. The output of this method is a breakeven frequency, a metric we sue to determine whether an additional vehicle should be purchased to address the contingency of dust storms by comparing it to the expected annual storm frequency We develop a small collection of case studies using commercial-scale CSP tower plants and obtain breakeven frequencies that mostly fall between 0.1 and 1.0 storms per year, depending on the existing fleet size and storm severity.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2023

A New Approach to Monitoring Solvent Extraction Processes for the Nuclear Industry

As part of an initiative to steward research, development, and innovation into the nuclear fuel cycle, Idaho National Laboratory is building the Beartooth testbed. Beartooth will include a cascade of centrifugal contactors, glove box lines, solidification, and dissolution equipment to aid in the progression of novel separation techniques and provide hands-on opportunities to early-career separation scientists. Beartooth will incorporate novel monitoring techniques using sensors and machine learning algorithms to inform a process operator of separation conditions. This research is examining monitoring technologies not typically used in nuclear separation processes such as acoustic microphones, accelerometers, infrared cameras, red-green-blue color sensors, among others. These sensors are being examined for their functionality within a separation process and their ability to detect applicable signals. Machine learning methods are being developed to determine their utility in detecting faults and alerting operators of expected and unexpected events. These methods have the potential to impact Safeguards by Design efforts and real-time decision making. This overview will detail preliminary results from acoustic, vibration, and color sensors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

A review of cladding failure thresholds in RIA conditions based on transient reactor test data and the need for continued testing

Transient reactor experiments on light water reactor (LWR) fuel pins had been conducted since the beginning of the nuclear era to help determine core coolability and cladding failure thresholds. During one such test in November of 1993 at the CABRI transient test reactor on a test involving a high burnup fuel rod with a corroded Zircaloy-4 cladding it was first observed that cladding failures could occur prior to a departure from nucleate boiling (pre-DNB) at lower-than-expected peak radial average enthalpies. This paper will present an independent review of the publicly available transient reactor test database on higher burnup LWR pins conducted at the CABRI and NSRR reactors as well as review of a selection of published out of pile mechanical testing methods. The purpose of the review is to determine how well the new regulatory limits are supported by experimental data. The review will identify if additional transient reactor tests could provide additional support for the NRC guidance or identify the need for revisions. The evaluation will consider how far the existing database can be extrapolated when considering low hydrogen zirconium alloy claddings (with and without protective coatings) containing very high burnup (> 70 MWd/kgU) UO2 fuel pellets. Finally, the authors will suggest how out of pile mechanical tests can be used in conjunction with a limited number of transient reactor tests to develop cladding specific failure thresholds in RIA type transients.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Defect behavior and radiation tolerance of MAB phases (MoAlB and Fe2AlB2) with comparison to MAX phases

MAB phases are a new class of layered ternary materials that have already shown a number of outstanding properties. Here, we investigate defect evolution and radiation tolerance of two MAB phases, MoAlB and Fe 2 AlB 2 , using a combination of experimental characterization and first-principles calculations. We find that Fe 2 AlB 2 is more tolerant to radiation-induced amorphization than MoAlB, both at 150 °C and at 300 °C. The results can be explained by the fact that the Mo Frenkel pair is unstable in MoAlB and as a result, irradiated MoAlB is expected to have a significant concentration of Mo Al antisites, which are difficult to anneal even at 300 °C. We find that the tolerance to radiation-induced amorphization of MAB phases is lower than in MAX phases, but it is comparable to that of SiC. However, MAB phases do not show radiation-induced cracking which is observed in MAX phases under the same irradiation conditions. This research suggests that MAB phases might be a promising class of materials for applications that involve radiation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Development of Ti 3 SiC 2 MAX phase tubular structures for solar receiver applications

Solar receiver tubes are key components of concentrating solar-thermal power (CSP) systems that harvest solar energy. For better efficiency, the Gen3 CSP receivers, which collect heat into a heat transfer fluid, require a temperature exceeding 700 °C during operation and need to perform under extreme conditions of high temperature and high thermal stress. Operators are seeking CSP designs using new high-temperature structural materials with high thermal conductivity and high creep resistance to achieve a design life of 30 years and thus help recover the plant capital cost sooner. MAX phase materials, which consist of an early transition metal element, an A-group element, and carbon or nitrogen, are expected to exhibit high creep resistance as well as high fracture toughness. Here, in this paper, we describe fabricating both (1) dense Ti 3 SiC 2 MAX phase disks and (2) short-length tubes using field-assisted sintering technology (FAST). First, the disk samples that we fabricated are fully dense and contain ≈90 % Ti 3 SiC 2 MAX phase materials and ≈10 % TiC phase materials. We determined a flexure strength of 519 ± 32 MPa by conducting a four-point bending test at room temperature with rectangular bar samples of ≈100 % density. The thermal conductivity of the Ti 3 SiC 2 MAX phase samples, measured by light flashing analysis, decreases linearly from a value of 41 W . m -1 . K -1 at room temperature to a value of 36 W . m -1 . K -1 at 650 °C. A solar reflectance measurement of the Ti 3 SiC 2 MAX phase revealed that, temperature increases from 400 to 1400 °C, thermal emittance increases from 0.39 to 0.49, while selectivity decreases from 1.8 to 1.4, respectively. Whereas the surface oxidized MAX phase samples after 100 h exposure to air at 1000 °C exhibit that of SiC. Next, we discuss fabrication of the crack-free Ti 3 SiC 2 MAX phase tubular structures accomplished by using FAST processing in graphite bedding. A Ti 3 SiC 2 MAX phase content of > 95 % with traceable ≈3% remaining TiC phase and ≈15 % porosity were demonstrated after high-temperature annealing. An average fracture strength of ≈250 MPa was determined with Ti 3 SiC 2 MAX phase tubes of ≈85 % density by diametral compression testing at room temperature. Our work demonstrated that using FAST processing to produce Ti 3 SiC 2 MAX phase tubular structures for CSP receiver applications is a viable approach.

14 SOLAR ENERGY↗
DOE OSTI2022

Wash Vehicle Fleet Sizing for Contingency Planning Against Dust Storms

Wash vehicles containing either high- or low-pressure water sprayers, a collection of rotating brushes, or a combination of these, are frequently utilized in concentrating solar power (CSP) plants to maintain a high level of optical efficiency in the solar field. In recent years, multiple modeling approaches have been developed to obtain fleet sizes and mirror-washing schedules that optimize the tradeoff of vehicle capital and use costs and labor versus lost revenues due to soiling. These planning models cover normal operating conditions well but do not consider rare events such as dust storms which can cause a significant reduction in receiver productivity, or shut down operations until most or all of the solar field's mirrors have been cleaned. To that end, we propose a methodology that evaluates whether additional capital should be deployed to hedge against these events by weighing the net present value of the expected benefits against the capital costs. The output of this method is a breakeven frequency, a metric we sue to determine whether an additional vehicle should be purchased to address the contingency of dust storms by comparing it to the expected annual storm frequency We develop a small collection of case studies using commercial-scale CSP tower plants and obtain breakeven frequencies that mostly fall between 0.1 and 1.0 storms per year, depending on the existing fleet size and storm severity.

concentrating solar power↗