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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The effect of jet-induced medium excitation on Λ/ k 0 s in jet in Pb-Pb collisions

In this work, we use CoLBT-hydro model for simultaneous event-by-event simulations of jet propagation and hydrodynamics evolution of the bulk medium including jet-induced medium excitation. The final reconstructed jet in heavy-ion collision include not only hadrons from medium response for the deposited energy and momentum of hard partons, but also hadrons from the fragmentation and recombination process of in-medium hard partons. We carry out the study with CoLBT-hydro of medium modification of the Λ/ k 0 s in jet in Pb-Pb collisions at √sNN=2.76TeV. We qualitatively describe the enhancement of the Λ/ k 0 s ratio in jet in the intermediate pT region due to the contribution from jet-induced medium flow.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Optimal decision-making in high-throughput virtual screening pipelines

Screening large pools of molecular candidates to identify those with specific design criteria or targeted properties is demanding in various science and engineering domains. While a high-throughput virtual screening (HTVS) pipeline can provide efficient means to achieving this goal, its design and operation often rely on experts' intuition, potentially resulting in suboptimal performance. In this paper, we fill this critical gap by presenting a systematic framework that can maximize the return on computational investment (ROCI) of such HTVS campaigns. Based on various scenarios, we empirically validate the proposed framework and demonstrate its potential to accelerate scientific discoveries through optimal computational campaigns, especially in the context of virtual screening.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Alpha-decay width of a near proton-threshold resonance in the 7 Li( α, α ) channel

We investigate the alpha-decay width of a near proton-threshold resonance in 11 B by the excitation functions of 7 Li(α, α) and 7 Li(α, α’) reactions. This resonance is an example of loosely bound atomic nuclei, understood as small open quantum systems, that exhibit properties significantly influenced by their coupling to the continuum. The present experiment focuses on the formation of a specific state in 11 B at excitation energy in the region near 11.4 MeV by bombarding a 7 Li target with a 4 He beam at energies ranging from 3.92 to 4.56 MeV in the laboratory frame. The study provides data complementary to previous observations of the proton emission in the β-decay of the neutron-rich halo nucleus 11 Be. An R-matrix fit to the data provides resonance energy and partial widths consistent with J π =1/2 + for a narrow near-threshold state in 11 B at 11.400(20) MeV, that is 171(20) keV above the proton emission threshold, with partial α-decay width Γ α =2.5$^{+3.5}_{–1.5}$ keV in elastic scattering and Γ α' =15.8$^{+1.9}_{–0.4}$ keV in inelastic scattering. These findings contribute to the understanding of the structure of this open quantum system resonance.

11B↗
DOE OSTI2023

Design and testing of an enriched uranium fueled molten salt irradiation vehicle

Molten salt reactors (MSRs) have garnered increasing attention recently with several demonstration efforts on the way. A key challenge to the licensing basis for these reactors is the lack of experimental data on fueled salts. This is expected to be crucial to the safety evaluation and licensing basis of reactors of this type deployed in the future. While capability for irradiating molten salts has started being reestablished in the recent decade, no enriched fuel irradiation capability has been developed and tested as of yet. A new experiment vehicle under development at Idaho National Laboratory (INL) is presented here. The Molten-salt Research Temperature-controlled Irradiation (MRTI) experiment was developed to host enriched-uranium bearing salt samples to be irradiated at a test reactor within the lab complex. One of the key scientific objectives is to provide irradiated salt samples for post irradiation examination (PIE) to study the impact of fission product generation and neutron/gamma radioactivity on the salt solution and salt-facing wall material. This paper provides a detailed overview of the mechanical design of the experiment, followed by an overview of the fabrication and assembly of an initial prototype vehicle (with non-fuel bearing salt). A summary of the key analyses conducted as a part of the performance and safety evaluation is then provided. Lastly, an overview of the test conducted in prototypic out-of-pile (non-neutron) environment are shown. These evaluations provide the foundation for a planned irradiation of and enriched uranium-bearing chloride salt sample in the near term. The upcoming irradiation will contain 13cm 3 of UCl 3 -NaCl salt (93% enrichment) generating around 20 W/cm 3 of fission energy during irradiation and a temperature range that can be contained between bounds of 525-900°C.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

RSPECT: A PROSPECT-based model incorporating the real structure of rice leaves

Radiative transfer models (RTMs) describe how light is absorbed, scattered, and transmitted within leaves by simulating mechanistic light propagation processes. The PROSPECT model is based on measurable parameters (the leaf biochemical content) and a non-measurable parameter (the leaf anatomical structure represented by the leaf structure parameter (N)). The effect of N on the optical properties of leaves has been investigated through a number of local and global sensitivity analyses. Other studies have directly evaluated the effect of the leaf anatomical structure on spectral reflectance, particularly in the near infrared region. However, the relationship between N and the anatomical structure is unclear. Here, in this study, we leveraged eLeaf, a ray tracing-based 3D rice leaf simulator, to establish relationships between leaf anatomical features and spectral properties, enabling us to replace N in the PROSPECT-4 model with measurable leaf anatomical parameters and develop the RSPECT model. The leaf thickness at minor vein, leaf thickness at bulliform cells, mesophyll thickness at minor vein, and distance between two minor veins could be used to predict N effectively. The RSPECT model achieved spectral simulation accuracy comparable to PROSPECT-4 and was more suitable for parameter inversion of the physical and chemical properties of rice leaves, with relative root mean square errors of 7.4% for chlorophyll content, 5.6% for equivalent water thickness, and 7.5% for dry matter content. In conclusion, RSPECT improves radiative transfer modeling by integrating measurable anatomical features and provides a framework for extending this approach to other vegetation types.

hyperspectral↗
DOE OSTI2021

Nitrogen evolution, NO X formation and reduction in pressurized oxy coal combustion

Oxy-combustion is one of the most prominent solutions for reducing CO 2 emissions from coal-fired power plants using carbon-capture-and-utilization technology. However, when compared to air combustion at atmospheric pressure, oxy-combustion is very expensive, owing to the significant efficiency penalties associated with air separation, flue gas recirculation (FGR), treatment, compression, and storage or transit of CO 2 . In comparison, pressurized oxy-combustion (POC) is more efficient as it recovers a significant amount of heat energy from the flue gas moistures. Nevertheless, CO 2 derived from pressurized oxy coal combustion has impurities, e.g., acid gases (NO X and SO X ) that can corrode the plant equipment, transport lines as well as deteriorating effect on the environment. Fortunately, in pressurized combustion systems, both NO X and SO X can be scrubbed by a single-column direct contact cooler (DCC), but this requires a minimum ratio of NO X to SO X at the inlet to be efficiently removed. Therefore, NOx is one of the important hindering parameters in commercializing the pressurized oxy-combustion. Although NOx evolution during oxy-coal combustion has been explored extensively at 1 atm, higher pressure studies are rare. Much still needs to be done to better understand the NO X mechanism and the effects of different parameters on NO X emissions under these conditions. Here, this paper reviews the published literature on nitrogen evolution, NO X formation and reduction in pressurized oxy-coal combustion. At higher pressures, the NO X from fuel-bound nitrogen is generated through volatiles, tar and char, all of which are discussed. Where literature is not available, the effect of pressure on NOx evolution in different stages of coal combustion is predicted through CHEMKIN simulation. Homogeneous and heterogeneous pathways of NO X formation and their destruction in pressurized oxy-coal combustion are evaluated. Additionally, the effect of pressure on a few mature and commercialized NOx abatement methods is explored. In the last, the future perspective and recommendation are given. This review will aid in the provision of basic knowledge about NOx evolution and control in pressurized fuel combustion, as well as the identification of new research areas to pursue.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

A review of future weather data for assessing climate change impacts on buildings and energy systems

The effectiveness of climate change impact assessments and the development of adaptation strategies depend on the availability of high-quality future weather data. However, significant gaps exist between the needs of the energy research community and the focus of the climate modeling community, primarily due to a historical lack of communication and collaboration between the two groups. Here, to address this issue, this work provides a comprehensive overview of the critical aspects involved in creating future weather data for building and energy system modeling, including emissions scenarios, general circulation models, downscaling methods, categories of future weather data, and uncertainties in climate simulations. Moreover, it critically evaluates the applicability and suitability of various types of future weather data in five key application scenarios: energy use analysis, resilience analysis, HVAC design, utility-scale analysis, and renewable energy analysis. Finally, this work presents recommendations for high-level actions and research directions to foster collaboration between the energy research and climate modeling communities and to promote the integration of future weather data into energy codes and the design practices of buildings and energy systems.

Climate change↗
DOE OSTI2022

Titanium doped kagome superconductor CsV 3–x Ti x Sb 5 and two distinct phases

The vanadium-based kagome superconductor CsV 3 Sb 5 has attracted tremendous attention due to its unexcepted anomalous Hall effect (AHE), charge density waves (CDWs), nematicity, and a pseudogap pair density wave (PDW) coexisting with unconventional strong-coupling superconductivity. The origins of CDWs, unconventional superconductivity, and their correlation with different electronic states in this kagome system are of great significance, but so far, are still under debate. Chemical doping in the kagome layer provides one of the most direct ways to reveal the intrinsic physics, but remains unexplored. Here, we report, for the first time, the synthesis of Ti-substituted CsV 3 Sb 5 single crystals and its rich phase diagram mapping the evolution of intertwining electronic states. The Ti atoms directly substitute for V in the kagome layers. CsV 3–x Ti x Sb 5 shows two distinct superconductivity phases upon substitution. The Ti slightly-substituted phase displays an unconventional V-shaped superconductivity gap, coexisting with weakening CDW, PDW, AHE, and nematicity. The Ti highly-substituted phase has a U-shaped superconductivity gap concomitant with a short-range rotation symmetry breaking CDW, while long-range CDW, twofold symmetry of in-plane resistivity, AHE, and PDW are absent. Furthermore, we also demonstrate the chemical substitution of V atoms with other elements such as Cr and Nb, showing a different modulation on the superconductivity phases and CDWs. These findings open up a way to synthesise a new family of doped CsV 3 Sb 5 materials, and further represent a new platform for tuning the different correlated electronic states and superconducting pairing in kagome superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Mineral-hydrogel composites for mitigating harmful algal bloom and supplying phosphorous for photo-biorefineries

Harmful algal blooms (HAB) are a major environmental concern in eutrophic aquatic systems. To mitigate HABs and recover the phosphorus that drives algal growth, this study developed hydrogel composites seeded with calcium phosphate and wollastonite particles, which first adsorb phosphate (P) and then precipitate it as calcium phosphate. Using a fast-growing cyanobacterium, Synechococcus elongatus 2973, as a model microalga, we found that the mineral-hydrogel composites reduced dissolved P in BG11 media from 5.1 mg/L to 0.31 mg/L, initially reducing the biomass growth rate by up to 73 % and ultimately reducing the total biomass concentration by 75 %. When applied to municipal wastewater and agricultural run-off, the composites removed 96 % and 91 % of the dissolved P, respectively. Moreover, when the recovered P-enriched composites were reused as a slow-release bio-compatible fertilizer in a photobioreactor, they effectively supported algal growth without blocking light and interfering with photosynthesis. The P-enriched composites could tune the P concentration in the culture medium and significantly promote algal lipid accumulation. Finally, this study demonstrates the mineral-hydrogel composites' potential to treat point sources of P pollution and subsequently facilitate photoautotrophic biofuel production as a nutrient, effectively recycling the captured P.

59 BASIC BIOLOGICAL SCIENCES↗