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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 127 records · Page 7

Gravitational form factors and mechanical properties of quarks in protons: A basis light-front quantization approach

We compute the gravitational form factors (GFFs) and study their applications for the description of the mechanical properties such as the pressure, shear force distributions, and the mechanical radius of the proton from its light-front wave functions (LFWFs) based on basis light-front quantization (BLFQ). The LFWFs of the proton are given by the lowest eigenvector of a light-front effective Hamiltonian that incorporates a three-dimensional confining potential and a one-gluon exchange interaction with fixed coupling between the constituent quarks solved in the valence Fock sector. We find acceptable agreement between our BLFQ computations and the lattice QCD for the GFFs. Our D -term form factor also agrees well with the extracted data from the deeply virtual Compton scattering experiments at Jefferson Lab, and the results of different phenomenological models. The distributions of pressures and shear forces are similar to those from different models. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

Pressure–Modulated Luminescence Enhancement and Quenching in a Hydrogen–Bonded Organic Framework

Light emission in the solid state is central for illumination, sensing, and imaging applications. Unlike luminescence in dilute solutions, where the excited states are unimolecular in nature, intermolecular interaction plays a significant role in the quantum yield of solid-state luminophores, manifested as competing aggregation-caused quenching (ACQ) and aggregation-induced enhancement (AIE). Both effects are extensively studied in various systems; however, it remains unclear how their competition depends on molecular conformation and intermolecular stacking. Here the direct observation of pressure-modulated AIE-ACQ competition in a crystalline hydrogen-bonded organic framework (HOF) is reported. Using in situ spectroscopies and computational modeling, the intramolecular vibration and intermolecular π–π stacking directly responsible for the non-radiative decay of the excited state are identified. The extent of these two contributions is modulated by hydrostatic pressure and guest molecules in the HOF pores. Furthermore, this work demonstrates a physically neat model system to understand and control solid-state luminescence, and a potential material platform for piezoluminescent sensing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

3D probabilistic fracture mechanics / computational fluid dynamics simulation of a reactor pressure vessel under transient conditions

Reactor pressure vessels (RPVs) are safety-critical light-water-reactor components that, under irradiation, experience long-term material degradation in the form of embrittlement. This can increase their susceptibility to fracture under thermal-shock conditions, which could occur during off-normal transients such as loss-of-coolant accidents (LOCAs). During a LOCA, the most severe conditions for the RPV occur when emergency core cooling water is injected through the cold legs into the water-and-steam-filled RPV. The rapid cooling of the downcomer and internal RPV surface causes decreased temperature and elevated thermally driven tensile stresses in the RPV wall. This, combined with long-term material embrittlement, may cause fracture initiation at pre-existing flaws, challenging the integrity of the RPV. Assessing RPV integrity during transients with a large spatial variation in the coolant temperature requires a modeling approach that considers the effects of spatially varying coolant temperature on the fracture probability of a population of flaws distributed throughout the RPV, accounting for spatially varying embrittlement. Here, the present study addresses this need by demonstrating first-of-its-kind coupling of a high-fidelity 3D computational fluid dynamics code with 3D probabilistic fracture mechanics This was accomplished using representative models of a pressurized-water reactor subjected to small- and medium-break LOCA conditions, both of which can result in large spatial temperature variations. While the observed impact of accounting for 3D effects was minimal under the small-break LOCA this study indicates a significant increase in the probability of fracture initiation under the medium-break LOCA when 3D effects are considered, relative to a spatially uniform cooling scenario.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Anomalous Behavior of 2D Janus Excitonic Layers under Extreme Pressures

Newly discovered 2D Janus transition metal dichalcogenides layers have gained much attention from a theory perspective owing to their unique atomic structure and exotic materials properties, but little to no experimental data are available on these materials. Here, experimental and theoretical studies establish the vibrational and optical behavior of 2D Janus S–W–Se and S–Mo–Se monolayers under high pressures for the first time. Chemical vapor deposition (CVD)-grown classical transition metal dichalcogenides (TMD) monolayers are first transferred onto van der Waals (vdW) mica substrates and converted to 2D Janus sheets by surface plasma technique, and then integrated into a 500 µm size diamond anvil cell for high-pressure studies. Overall, the results show that 2D Janus layers do not undergo phase transition up to 15 GPa, and in this pressure regime, their vibrational modes exhibit a nonmonotonic response to the applied pressures (dω/dP). Interestingly, these 2D Janus monolayers exhibit unique blueshift in photoluminescence (PL) upon compression, which is in contrast to many other traditional semiconductor materials. Overall theoretical simulations offer in-depth insights and reveal that the overall optical response is a result of competition between the ab-plane (blueshift) and c-axis (redshift) compression. The overall findings shed the very first light on how 2D Janus monolayers respond under extreme pressures and expand the fundamental understanding of these materials.

2D Janus monolayers↗

Molten Chloride Thermophysical Properties, Chemical Optimization, and Purification

Next-generation concentrating solar power (CSP) technology requires high-temperature heat-transfer fluids and thermal energy storage that can operate in the temperature range of 500°–720°C. This high temperature demands a new chemistry for the heat-transfer fluids that must have high-temperature thermal and chemical stabilities, high energy density, and low corrosion rate on metallic materials used in the heat exchangers, piping, and thermal energy storage tanks. A ternary MgCl 2 -KCl-NaCl chloride-salt system has been proposed to achieve such goals, given its high-temperature thermal stability. The chloride-salt-based systems have been used by the metallurgy industry as the electrolyte to electrolytically extract metallic magnesium. They have also attracted attentions from the nuclear industry for developing the molten salt fast reactors that can operate at close to atmospheric pressure and at higher temperature than traditional light-water reactors. However, the corrosion properties of the ternary salt are not well known. The corrosion mechanism is believed to be correlated to the presence of MgOHCl impurity at the operation temperature. MgOHCl is fundamentally caused by the hygroscopic nature of the MgCl 2 component. Therefore, the first key objective of this project is to understand the nature of the corrosiveness of the ternary chloride-salt system and its prevention by designing new lab-scale purification processes. Because of its importance, a working group called the Chloride Salt Collective across multiple U.S. Department of Energy national laboratories is established to gain experimental agreement on the corrosion behaviors. In addition, water generation during salt dehydration could lead to highly corrosive HCl/water mixture via a hydrolysis process between water and anhydrous MgCl 2 or MgCl 2 hydrates. MgOHCl will eventually be converted to MgO particulates regardless of the chemical path chosen (i.e., by thermal decomposition, chemical purification with an active metal, or electrochemical purification utilizing the reduction power of electron flows). Large MgO particles with high hardness can wear out bearing and bushing and even clog the delicate channels in the primary heat exchanger. Because of this, a second objective is to understand the chemistry behind salt purification and transfer the scientific understanding to a set of engineering know-how for large-scale salt melter design. Because there is limited information on the thermophysical properties and the sensitivity of these properties around the targeted salt composition, a third objective is to measure thermophysical properties relevant to system and component design and support Topic 1 Liquid Pathway development. For example, composition shift due to salt reaction with water can be a potential issue because it can lead to changes of thermophysical properties, such as (1) melting point (or freeze point), which can jeopardize safe operation of the supercritical CO 2 power cycle proposed for next-generation CSP, and (2) heat capacity and density, which can decrease the overall power-generation capability of the plants. The value of the thermal conductivity of the selected salt composition is also a critical criterion for the solar receiver design.

14 SOLAR ENERGY↗

Lawrence Berkley National Laboratory Building 59

The building management system in Building 59 is monitoring and archiving building-level electricity usage, HVAC and lighting system states (e.g., setpoint, temperature, flow rate, pressure), indoor environmental conditions (air temperature, relative humidity, CO2), on-site weather (air temperature, relative humidity), and especially occupant counts as well as other metrics such as Wi-Fi signal. This dataset could support multiple use cases, such as model predictive control and occupant related demand management.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Lawrence Berkley National Laboratory Building 59 (Raw)

The building management system in Building 59 is monitoring and archiving building-level electricity usage, HVAC and lighting system states (e.g., setpoint, temperature, flow rate, pressure), indoor environmental conditions (air temperature, relative humidity, CO2), on-site weather (air temperature, relative humidity), and especially occupant counts as well as other metrics such as Wi-Fi signal. This dataset could support multiple use cases, such as model predictive control and occupant related demand management. Raw data.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Lawrence Berkeley National Lab Building 59

The building management system in Building 59 is monitoring and archiving building-level electricity usage, HVAC and lighting system states (e.g., setpoint, temperature, flow rate, pressure), indoor environmental conditions (air temperature, relative humidity, CO2), on-site weather (air temperature, relative humidity), and especially occupant counts as well as other metrics such as Wi-Fi signal. This dataset could support multiple use cases, such as model predictive control and occupant related demand management.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Analysis of the time-of-flight neutron scattering cross-section data for light water measured at the SEQUOIA spectrometer, Spallation Neutron Source (SNS)

Thermal neutron scattering cross-section data for light water available in the major nuclear data libraries observes significant differences especially at reactor operating temperatures. During the past few years there has been a renewed interest in reviewing the existing thermal scattering models and generating more accurate and reliable thermal scattering cross sections using existing experimental data and in some cases based on Molecular Dynamics (MD) simulations. There is a need for performing new time-of-flight experiments at high temperatures and pressures, to have a better understanding of the physics involved in the scattering process that could help improve the existing TSL data.Lack of experimental thermal scattering data for light water at high temperatures led to a new measurement campaign within the INSIDER project at the Institut de radioprotection et de sûreté nucléaire (IRSN). Double differential scattering cross section for light water have been measured at the SEQUOIA spectrometer based at the Spallation Neutron Source (SNS), Oak Ridge National Laboratory, United States. Several measurements have been carried out at different temperatures and pressures corresponding to liquid light water. Measurements at five different incident neutron energies Ei (8, 60, 160, 280 and 800 meV) have been carried out to help exploring different regions of the frequency spectrum. This paper presents the analysis of the dynamic structure factor and the derived frequency spectrum of light water. The analysis of the experimental data would provide one with better confidence, the behavior of thermal scattering cross sections for light water at high temperatures, knowledge of which is very important for the design of novel reactors as well as existing pressurized water reactors.

Jaiswal, V↗

The Simons Observatory: science goals and forecasts for the enhanced Large Aperture Telescope

We describe updated scientific goals for the wide-field, millimeter-wave survey that will be produced by the Simons Observatory (SO). Significant upgrades to the 6-meter SO Large Aperture Telescope (LAT) are expected to be complete by 2028, and will include a doubled mapping speed with 30,000 new detectors and an automated data reduction pipeline. In addition, a new photovoltaic array will supply most of the observatory's power. The LAT survey will cover about 60% of the sky at a regular observing cadence, with five times the angular resolution and ten times the map depth of the Planck satellite. The science goals are to: (1) determine the physical conditions in the early universe and constrain the existence of new light particles; (2) measure the integrated distribution of mass, electron pressure, and electron momentum in the late-time universe, and, in combination with optical surveys, determine the neutrino mass and the effects of dark energy via tomographic measurements of the growth of structure at redshifts z ≲ 3; (3) measure the distribution of electron density and pressure around galaxy groups and clusters, and calibrate the effects of energy input from galaxy formation on the surrounding environment; (4) produce a sample of more than 30,000 galaxy clusters, and more than 100,000 extragalactic millimeter sources, including regularly sampled AGN light-curves, to study these sources and their emission physics; (5) measure the polarized emission from magnetically aligned dust grains in our Galaxy, to study the properties of dust and the role of magnetic fields in star formation; (6) constrain asteroid regoliths, search for Trans-Neptunian Objects, and either detect or eliminate large portions of the phase space in the search for Planet 9; and (7) provide a powerful new window into the transient universe on time scales of minutes to years, concurrent with observations from the Vera C. Rubin Observatory of overlapping sky.

79 ASTRONOMY AND ASTROPHYSICS↗

Polarized tip-enhanced Raman spectroscopy at liquid He temperature in ultrahigh vacuum using an off-axis parabolic mirror

Tip-enhanced Raman spectroscopy (TERS) combines inelastic light scattering well below the diffraction limit down to the nanometer range and scanning probe microscopy and, possibly, spectroscopy. In this way, topographic and spectroscopic as well as single- and two-particle information may simultaneously be collected. While single molecules can now be studied successfully, bulk solids are still not meaningfully accessible. It is the purpose of the work presented here to outline approaches toward this objective. We describe a home-built, liquid helium cooled, ultrahigh vacuum TERS. The setup is based on a scanning tunneling microscope and, as an innovation, an off-axis parabolic mirror having a high numerical aperture of ~0.85 and a large working distance. The system is equipped with a fast load-lock chamber, a chamber for the in situ preparation of tips, substrates, and samples, and a TERS chamber. Base pressure and temperature in the TERS chamber were ~3 × 10 –11 mbar and 15 K, respectively. Polarization dependent tip-enhanced Raman spectra of the vibration modes of carbon nanotubes were successfully acquired at cryogenic temperature. The new features described here including very low pressure and temperature and the external access to the light polarizations, thus the selection rules, may pave the way toward the investigation of bulk and surface materials.

47 OTHER INSTRUMENTATION↗

Sugar loading is not required for phloem sap flow in maize plants

We report phloem transport of photoassimilates from leaves to non-photosynthetic organs, such as the root and shoot apices and reproductive organs, is crucial to plant growth and yield. For nearly 90 years, evidence has been generally consistent with the theory of a pressure-flow mechanism of phloem transport. Central to this hypothesis is the loading of osmolytes, principally sugars, into the phloem to generate the osmotic pressure that propels bulk flow. Here we used genetic and light manipulations to test whether sugar import into the phloem is required as the driving force for phloem sap flow. Using carbon-11 radiotracer, we show that a maize sucrose transporter1 (sut1) loss-of-function mutant has severely reduced export of carbon from photosynthetic leaves (only ~4% of the wild type level). Yet, the mutant remarkably maintains phloem pressure at ~100% and sap flow speeds at ~50–75% of those of wild type. Potassium (K+) abundance in the phloem was elevated in sut1 mutant leaves. Fluid dynamic modelling supports the conclusion that increased K+ loading compensated for decreased sucrose loading to maintain phloem pressure, and thereby maintained phloem transport via the pressure-flow mechanism. Furthermore, these results suggest that sap flow and transport of other phloem-mobile nutrients and signalling molecules could be regulated independently of sugar loading into the phloem, potentially influencing carbon–nutrient homoeostasis and the distribution of signalling molecules in plants encountering different environmental conditions.

36 MATERIALS SCIENCE↗

Security-by-Design: Light Water Small Modular Reactor

The growing demand for nuclear power is increasing pressure to find solutions to cost prohibitive requirements of both construction and security. Offsite response has been proposed as an option to reduce costs associated with training and maintaining an onsite response force. A previous report explored this option and revealed that security could be provided at the required level, but cost savings was not a result of this methodology. An offsite response strategy required costly active and passive delay barriers to provide sufficient time for responders to muster and deploy to a site in time to interrupt a determined and well-equipped adversary. Also, contrary to the hypothesis, the number of responders required for this strategy exceeded that needed for an onsite response force, as the adversaries could avail themselves of advantageous positions within the facility to repel arriving responders. This report builds upon the previous evaluation by using the same hypothetical light water small modular reactor (LWSMR) facility model, but this time an onsite response strategy was assessed. The goal of this analysis was to show that an onsite response strategy could be implemented effectively at a cost point that removes barriers within the industry at this critical time of growth and development. The assessment of the facility design and response strategy was completed through modeling using Scribe3D© and subsequent scenario analysis over the course of a two-day tabletop exercise. Subject matter experts in nuclear security, nuclear facility design, and response strategy and tactics contributed to the effort to ensure accurate representation of hypothetical scenarios. Several adaptations were made to the layout of the LWSMR based on lessons learned during the first day of scenario analysis. The subsequent design evaluated on the second day proved to provide a robust response posture against a large and well-trained adversary force. This report details the process of the analysis and compares the cost of the final facility design with that of the LWSMR model used for evaluation of offsite response. Ultimately, the results of this effort indicate that, when implemented correctly, an onsite response strategy is the best option from a security and cost perspective.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Pressure effects on lithium anode/nickel-manganese-cobalt oxide cathode pouch cells through fixture design

Applying external pressure to a pouch cell results in improved performance, implicating systems-level design of batteries. Here, different formats and amounts of external pressure to Li-Li x Ni 0.8 Mn 0.1 Co 0.1 O 2 (Li-NMC811) pouch cells were studied under lean electrolyte conditions. Due to the more uniform lithium plating/stripping, a constant gap fixture that retains the distance of the frame during cycling performed greater than a constant pressure fixture that retains applied pressure to the cell. In addition, the use of flexible foam in a constant gap fixture revealed enhanced cycle life at 10 psi; however, at 30 psi, the use of a rigid plate extended cycle life to over 250 cycles, while the foam severely shortened cycle life. This discrepancy with pressure was proven to be driven by stress distribution on cell components. The failure mechanisms and the effects of pressure fixture design on cell components were unveiled, shedding light on improving high-energy battery performance through at-scale fixture design.

25 - ENERGY STORAGE↗

Probabilistic Risk Assessment of a Light Water Reactor Coupled with a High Temperature Electrolysis Hydrogen Production Plant

Two generic probabilistic risk assessments (PRA) for the addition of a heat extraction system (HES) addition to a light water reactor (LWR) are performed, one for a pressurized water reactor (PWR) and one for a boiling water reactor (BWR). The results investigate the applicability of the potential licensing approaches which do not require a full U.S. Nuclear Regulatory Commission (NRC) licensing review. The PRAs are generic, and some assumptions are made. Many conservative assumptions from a the preliminary PWR PRA report were eliminated using design data for both the HES and the high temperature electrolysis facility (HTEF). The results of the PRA indicate that the 10 CFR 50.59 licensing approach is justified due to the minimal increase in initiating event frequencies for all DBAs, none exceeding 5.6%. The PRA results for CDF and LERF support the use of RG 1.174 as further risk information that supports a change without a full LAR. Further insights provided through hazard analysis and sensitivity studies confirm with high confidence that the safety case for licensing an HES addition and a HTEF sited at 1.0 km from the NPP is strong and that the placement of a HTEF at 0.5 km is a viable case. Site specific information can alter these conclusions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Simultaneous imaging and diffraction in the dynamic diamond anvil cell

The ability to visualize a sample undergoing a pressure-induced phase transition allows for the determination of kinetic parameters, such as the nucleation and growth rates of the high-pressure phase. For samples that are opaque to visible light (such as metallic systems), it is necessary to rely on x-ray imaging methods for sample visualization. Here, we present an experimental platform developed at beamline P02.2 at the PETRA III synchrotron radiation source, which is capable of performing simultaneous x-ray imaging and diffraction of samples that are dynamically compressed in piezo-driven diamond anvil cells. This setup utilizes a partially coherent monochromatic x-ray beam to perform lensless phase contrast imaging, which can be carried out using either a parallel- or focused-beam configuration. The capabilities of this platform are illustrated by experiments on dynamically compressed Ga and Ar. Melting and solidification were identified based on the observation of solid/liquid phase boundaries in the x-ray images and corresponding changes in the x-ray diffraction patterns collected during the transition, with significant edge enhancement observed in the x-ray images collected using the focused-beam. These results highlight the suitability of this technique for a variety of purposes, including melt curve determination.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Stimuli‐Responsive Emission from Hybrid Metal Halides

Abstract Stimuli‐responsive photoluminescent (PL) materials have attracted considerable attention in recent years owing to their potential applications in anti‐counterfeiting, information encryption, and sensing. Further investigations of the transformation mechanism and potential applications of stimulus‐responsive PL materials are considerably important. In the current study, an organic–inorganic metal halide, C 9 H 15 N 3 SbCl 5 ([C 9 H 13 N 3 ] 2+ is a 1‐(2‐pyridyl) piperazine cation) is obtained, which exhibits a 0D structure withP‐1 space group. At room temperature, when excited by UV light, the C 9 H 15 N 3 SbCl 5 single crystals exhibit unimodal blue light emission at 405 nm, and grinding or hydrostatic pressure induces double‐peak emissions at 405 and 650 nm. Interestingly, double‐emission samples can be restored to single‐emission samples by short annealing or storage in air for 2 weeks, and this process is reversible. Luminescence response to mechanical stimuli can also be achieved in the presence of hydrochloric acid and water. Spectral analysis and the analysis of the microstructural changes revealed that the structural modifications of the inorganic group play a pivotal role in the response to the stimulus. Finally, a composite film device based on C 9 H 15 N 3 SbCl 5 is prepared to demonstrate the potential of these smart materials in anti‐counterfeiting and sensing applications.

Chemistry↗