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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 397 records · Page 22

Large scale structure reconstruction with short-wavelength modes

Large scale density modes are difficult to measure because they are sensitive to systematic observational errors in galaxy surveys, but we can study them indirectly by observing their impact on small scale perturbations. Cosmological perturbation theory predicts that second-order density inhomogeneities are a convolution of a short- and a long-wavelength mode. This arises physically because small scale structures grow at different rates depending on the large scale environment in which they reside. This induces an off-diagonal term in the two-point statistics in Fourier space that we use as the basis for a quadratic estimator for the large scale field. Here, we demonstrate that this quadratic estimator works well on an N-body simulation of size (2.5 h -1 Gpc) 3 . In particular, the quadratic estimator successfully reconstructs the long-wavelength modes using only small-scale information. This opens up novel opportunities to study structure on the largest observable scales.

79 ASTRONOMY AND ASTROPHYSICS↗

COVID-19 prevention at institutions of higher education, United States, 2020–2021: implementation of nonpharmaceutical interventions

Background, In early 2020, following the start of the coronavirus disease 2019 (COVID-19) pandemic, institutions of higher education (IHEs) across the United States rapidly pivoted to online learning to reduce the risk of on-campus virus transmission. We explored IHEs’ use of this and other nonpharmaceutical interventions (NPIs) during the subsequent pandemic-affected academic year 2020–2021. Methods, From December 2020 to June 2021, we collected publicly available data from official webpages of 847 IHEs, including all public (n = 547) and a stratified random sample of private four-year institutions (n = 300). Abstracted data included NPIs deployed during the academic year such as changes to the calendar, learning environment, housing, common areas, and dining; COVID-19 testing; and facemask protocols. We performed weighted analysis to assess congruence with the October 29, 2020, US Centers for Disease Control and Prevention (CDC) guidance for IHEs. For IHEs offering ≥50% of courses in person, we used weighted multivariable linear regression to explore the association between IHE characteristics and the summated number of implemented NPIs. Results, Overall, 20% of IHEs implemented all CDC-recommended NPIs. The most frequently utilized NPI was learning environment changes (91%), practiced as one or more of the following modalities: distance or hybrid learning opportunities (98%), 6-ft spacing (60%), and reduced class sizes (51%). Additionally, 88% of IHEs specified facemask protocols, 78% physically changed common areas, and 67% offered COVID-19 testing. Among the 33% of IHEs offering ≥50% of courses in person, having < 1000 students was associated with having implemented fewer NPIs than IHEs with ≥ 1000 students. Conclusions, Only 1 in 5 IHEs implemented all CDC recommendations, while a majority implemented a subset, most commonly changes to the classroom, facemask protocols, and COVID-19 testing. IHE enrollment size and location were associated with degree of NPI implementation. Additional research is needed to assess adherence to NPI implementation in IHE settings.

59 BASIC BIOLOGICAL SCIENCES↗

Quantitative gas-phase transmission electron microscopy: Where are we now and what comes next?

Abstract Based on historical developments and the current state of the art in gas-phase transmission electron microscopy (GP-TEM), we provide a perspective covering exciting new technologies and methodologies of relevance for chemical and surface sciences. Considering thermal and photochemical reaction environments, we emphasize the benefit of implementing gas cells, quantitative TEM approaches using sensitive detection for structured electron illumination (in space and time) and data denoising, optical excitation, and data mining using autonomous machine learning techniques. These emerging advances open new ways to accelerate discoveries in chemical and surface sciences. Graphical abstract

36 MATERIALS SCIENCE↗

Quantum Computing in Next-Generation Transportation Optimization

We explore how quantum computing (QC) can advance transportation optimization, with a focus on two high-impact areas: traffic signal control and vehicle electrification with grid integration. As transportation systems grow in complexity, classical optimization methods increasingly struggle to deliver scalable and efficient solutions, particularly for real-time, data-rich environments. This work identifies key challenges within these two domains where QC may offer advantages, particularly in handling combinatorial decision spaces and dynamic constraints. We begin by outlining the limitations of classical approaches for traffic signal control optimization and electric vehicle charging coordination, highlighting where computational limitations arise. Previous quantum formulations are presented and new formulations are proposed to demonstrate how emerging quantum algorithms, including quantum annealing and the Quantum Approximation Optimization Algorithm, could be leveraged to reformulate and address these problems. We also evaluate the suitability of current quantum hardware and discuss recent trends that indicate when QC may become a viable tool for transportation applications. While acknowledging the present limitations of QC technologies, this poster emphasizes the importance of preparing quantum-compatible models today. By reviewing and establishing formulations that align with the strengths of quantum algorithms, researchers and practitioners can better position themselves to take advantage of QC advancements as they occur. This work aims to provide a practical, forward-looking perspective on the near-term potential of quantum computing in transportation optimization.

33 ADVANCED PROPULSION SYSTEMS↗

Comparative Performance of Low Global Warming Potential (GWP) Refrigerants as Replacement for R-410A in a Regular 2-Speed Heat Pump for Sustainable Cooling

Heat pumps are currently being developed to reduce the energy footprint for residential and commercial building space conditioning and water heating loads in cold climates. To mitigate the nocuous impact of greenhouse gas emissions on the environment, and to create a carbon-neutral building stock, alternate lower-GWP refrigerants must also replace the predominant use of R-410A, without re-engineering the mechanical hardware. In this paper, we analyze the performance of lower-GWP alternative refrigerants (R-32, R-452B, R-454B, and R-466A) relative to the conventional R-410A and draw conclusions on the relative performances to meet cooling loads. The simulations are accomplished using the heat pump design model, a well-known, public-domain design tool with a free web interface and downloadable desktop version to support public use and the HVAC R&D community. The contributions contain detailed, hardware-based heat exchanger and system analyses to provide a comprehensive assessment. The results of the simulation are scrutinized from the first (capacity and energy efficiency) and second laws (exergy analysis) to identify sources of systemic inefficiency, the root cause of lost work. This rigorous approach provides an exhaustive analysis of alternate lower-GWP refrigerants to replace R-410A using the same hardware. The results have practical value in engineering heat pumps in an economy that is compelled to alter by the consequences and uncertainties of climate change, to reduce its anthropogenic carbon footprint.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Lab Home Testing of Residential Isolation Space Control to Minimize Infectious Disease Transmission in Existing Single-Family Homes

Existing evidence strongly suggests that viral infectious diseases can be transmitted via an airborne route across distances in indoor environments. Accordingly, the risk of airborne transmission within homes should be managed. The public health emergency associated with SARS-CoV-2 makes controlling airborne transmission of respired viruses in indoor environments critical, especially in poorly ventilated indoor environments. The effectiveness of engineering interventions requiring minor efforts that create a negative-pressure isolation zone (IZ) for a contagious person has yet to be tested for existing residential homes. To mitigate the risk of airborne virus transmission and maximize health protection for the population in existing single-family homes, the relative effectiveness of several control strategies are investigated in this report. While very high-efficiency MERV filtration, high ventilation rates, and other controls can help be effective, most occupants are not likely to have the time or means for advanced measures found in hospitals. This project focused on testing relatively simple efforts that utilize existing or easy to acquire materials and simple processes.

30 DIRECT ENERGY CONVERSION↗

Stoichiometric effects on grain growth in zirconium carbide coatings for high-temperature nuclear fuel

Interest in coated particle fuel for space nuclear propulsion (SNP) has expanded in recent years due to successful demonstrations of the resiliency of the coatings to extreme environments. For SNP applications, the coating layer for the particle design needs to be able to withstand exposure to high temperature hydrogen during operating conditions. ZrC has been proposed as a protective layer, however, it is important to understand the high temperature behavior to ensure adequate protection to this fuel. In this study, surrogate ZrC coated particles were heat treated at 1900 °C up to 300 min, to examine how the microstructure evolves when exposed to high temperature. Scanning electron microscopy and electron backscatter diffraction (EBSD) were conducted to determine grain size and grain boundary character and orientation to determine the degree of change in the ZrC layer post heat treatment. Raman spectroscopy provided insight to understand how the as-fabricated stoichiometry of each sample contributed to the differences in grain growth behavior. Despite the as-fabricated samples showing a similar initial grain size and grain boundary character, the samples with a higher amount of excess carbon exhibited smaller grain areas and slower growth rates when exposed to 1900 °C. In conclusion, this investigation details the as-fabricated microstructure of the ZrC layer, specifically grain size, evolved under high temperature as this can impact the performance of the fuel under operating conditions.

EBSD↗

Lab Home Testing of Residential Isolation Space Control to Minimize Infectious Disease Transmission in Existing Single-Family Homes

Existing evidence strongly suggests that viral infectious diseases can be transmitted via an airborne route across distances in indoor environments. Accordingly, the risk of airborne transmission within homes should be managed. The public health emergency associated with SARS-CoV-2 makes controlling airborne transmission of respired viruses in indoor environments critical, especially in poorly ventilated indoor environments. The effectiveness of engineering interventions requiring minor efforts that create a negative-pressure isolation zone (IZ) for a contagious person has yet to be tested for existing residential homes. To mitigate the risk of airborne virus transmission and maximize health protection for the population in existing single-family homes, the relative effectiveness of several control strategies are investigated in this report. While very high-efficiency MERV filtration, high ventilation rates, and other controls can help be effective, most occupants are not likely to have the time or means for advanced measures found in hospitals. This project focused on testing relatively simple efforts that utilize existing or easy to acquire materials and simple processes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Effects of a nuclear-disturbed environment on electromagnetic wave propagation through the atmosphere

This paper investigates the effects of a nuclear-disturbed environment on the transmission of electromagnetic (EM) waves through the atmosphere. An atmospheric nuclear detonation can produce heightened free electron densities in the surrounding atmosphere that can disrupt EM waves that propagate through the disturbed region. Radiation transport models simulated the ionization and free electron densities created in the atmosphere from a 1 MT detonation at heights of burst of 5 km, 25 km, and 75 km. Recombination rates for the free electrons in the atmosphere were applied, from previous work in the literature, to determine the nuclear-induced electron densities as a function of time and space after the detonation. A ray-tracing algorithm was applied to determine the refraction and reflection of waves propagating in the different nuclear-disturbed environments. The simulation results show that the free electron plasma created from an atmospheric nuclear detonation depend on the height of burst of the weapon, the weapon yield, and the time after detonation. Detonations at higher altitudes produce higher free electron densities for greater durations and over larger ranges. The larger the free electron densities, the greater the impact on EM wavelengths in regards to refraction, reflection, and absorption in the atmosphere. An analysis of modern infrastructure and the effects of nuclear-disturbed atmospheres on different signal wavelengths and systems is discussed.

42 ENGINEERING↗

Space-Time Quantum Information from the Entangled States of Magnetic Molecule (STI Product)

This collaborative project combines synthesis, measurement, and theory by three faculty members at the Eddleman Quantum Institute of UC Irvine to effectively investigate the quantum properties of molecules in the space, time, and frequency domains. Through synthetic chemistry, molecules are tailored for their magnetic and coherent properties. By combining femtosecond (fs) terahertz (THz) light and a continuous wave (cw) THz laser with a low temperature scanning tunneling microscope (STM), quantum phenomena are probed with simultaneous femtosecond temporal and atomic-scale spatial resolution. In particular, the invention of the quantum superposition microscope (QSM) advances quantum sensing for enhanced spectroscopy and imaging capabilities. Coupling theory to the experimental efforts offers a deeper understanding and predictive power for the molecular systems. The phenomena of superposition, entanglement, and coherence is central to quantum information science and can be realized in qubit states. Many systems can be modeled by a double-well potential in which two levels are formed in the two lowest energy states interacting with the environment and external radiation. In focusing on molecules as two-level systems, the underlying expectation is that their tunable composition and structure allows an effective parameter space to optimize their use as qubits for quantum sensing and computing. The THz radiation induces the superposition between the two states, appearing as temporal oscillations that damp in amplitude. Enhanced spectroscopy and imaging in the time and frequency domains is achieved through the extreme sensitivity of the frequency and damping of coherence of two-level systems to its environment. A single hydrogen molecule trapped in the STM tunneling gap experiences a double-well potential and absorption of THz femtosecond pulses of light creates the superposition of its two levels, appearing as damped oscillations in the light induced direct current (DC). The oscillation frequency depends sensitively on the electric field distribution of the copper nitride (Cu 2 N) surface, through the Stark effect, and associated with the different charge distributions at the copper and nitrogen sites and in between. This QSM can resolve variation in the surface electric field with 0.02 nanometer resolution. In addition, the single hydrogen molecule entaes with nearby hydrogen molecules as seen in the avoided level crossings of energy (oscillation frequency) versus the voltage across the tunneling gap. Thus, the first application of the QSM senses and images the surface electric field at the atomic scale. Results from this project advance fundamental understanding of quantum phenomena, develop novel synthesis, measurement, and theory, provide the knowledge foundation for molecule-based qubits and sensing that enable the development of the QSM and emergent technologies. This project trained researchers in quantum information science, extended knowledge in classrooms, and outreached to the community.

47 OTHER INSTRUMENTATION↗

Phase-space Energization of Ions in Oblique Shocks

Abstract Examining energization of kinetic plasmas in phase space is a growing topic of interest, owing to the wealth of data in phase space compared to traditional bulk energization diagnostics. Via the field-particle correlation (FPC) technique and using multiple means of numerically integrating the plasma kinetic equation, we have studied the energization of ions in phase space within oblique collisionless shocks. The perspective afforded to us with this analysis in phase space allows us to characterize distinct populations of energized ions. In particular, we focus on ions that reflect multiple times off the shock front through shock-drift acceleration, and how to distinguish these different reflected populations in phase space using the FPC technique. We further extend our analysis to simulations of three-dimensional shocks undergoing more complicated dynamics, such as shock ripple, to demonstrate the ability to recover the phase-space signatures of this energization process in a more general system. This work thus extends previous applications of the FPC technique to more realistic collisionless shock environments, providing stronger evidence of the technique’s utility for simulation, laboratory, and spacecraft analysis.

79 ASTRONOMY AND ASTROPHYSICS↗

Ion density waves driving the formation of filamentary dust structures

The PlasmaKristall-4 (PK-4) experiment on the International Space Station allows for the study of the 3-dimensional interaction between plasma and dust particles. Previous simulations of the PK-4 environment have discovered fast moving ionization waves in the dc discharge. These ionization waves vary the plasma parameters by up to an order of magnitude, which may affect the mechanisms responsible for the self-organization of chains seen in the PK-4 experiment. Here, we adapt a molecular dynamics simulation to employ temporally varying plasma conditions in order to investigate the effect on the dust charging and electrostatic potential. In order to describe the differences between the average of the plasma conditions and the time-varying plasma condition, we present a model to reproduce the interaction that takes into account the negative potential from the dust grain and the positive potential from the ion wake.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Radon Survey of Los Alamos National Laboratory Buildings and Los Alamos County Residential Buildings

A radon survey of office spaces was of interest to LANL for several reasons. First, exposure to natural radon in LANL office spaces has been considered to be outside the regulatory reach of the federal regulations and the U.S. Department of Energy (U.S. DOE) orders, and thus has not been studied as extensively as occupational exposure to other radionuclides and is not subject to the same rigorous radiological controls. Second, a general survey of radon concentrations in LANL workspaces was of interest to management to ensure safe environments for workers and is in keeping with the intent of OSHA requirements. Though radon in LANL offices would not be derived from enhanced radioactive sources, radon exposure in general office spaces has the potential to significantly impact worker risk. The purpose of the 2009 radon survey was to measure and document indoor radon levels across a broad spectrum of office-type workspaces and neighboring homes. The measured concentrations were compared against those measured across the United States and across the world. The results were also compared against a wide variety of radiation protection thresholds such as (1) the action levels of 148 Bq m -3 (the U.S. EPA action level for public housing), (2) ≈1,200 Bq m -3 OSHA threshold for office spaces, (3) effective dose threshold of 1 mSv threshold for defining a radiological worker, (4) 50 mSv occupational effective dose limit, and (5) 0.1 mSv and 1 mSv limits for public exposures from the air pathway and all pathways, respectively.

07 ISOTOPE AND RADIATION SOURCES↗

Phase Relationships in the Carbon–Titanium–Uranium System for Ultra-High Temperature Nuclear Fuels

Carbides of uranium have attracted interest as fuels for nuclear thermal propulsion (NTP) to drive deep-space exploration owing to their attractive thermal and neutronic properties. Optimization of NTP technology, however, requires ultra-high temperature reactor environments to maximize the ratio of thrust to propellant to achieve peak rocket engine efficiency. Incorporation of transition metals into uranium carbides offers a pathway to increase the melting point of carbide fuels to address the operational challenges posed by NTP. Here, a thermodynamic model has been developed to examine the phase relationships in the C–Ti–U system at NTP conditions. Calculated phase relationships at ultra-high temperatures predict a stable (U, Ti)C solid solution. Additionally, experimental work on C–Ti–U synthesis via arc melting has been carried out, providing data on phase constitution and compositions that can be used to further refine the thermodynamic model that has been developed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DuctGPT: A Generative Transformer for Forward Screening of Ductile Refractory Multi-Principal Element Alloys

Designing ductile materials for extreme environments such as fusion reactors requires a deep understanding of the complex interplay between electronic structure, mechanical stability, and wide compositional space. Here, in this work, we introduce DuctGPT, a physics-informed, GPT-powered machine learning platform that enables rapid and accurate prediction of ductility across a wide range of refractory multi-principal element alloys (MPEAs). Trained on both experimental and high-fidelity computational data, DuctGPT integrates descriptors such as density of states at the Fermi level, elastic constants, and valence electron concentration to capture the fundamental mechanisms governing ductile versus brittle behavior. Using this framework, we screen over 1000 compositions in of body-centered cubic (BCC) MPEAs, including two new alloy classes, i.e., NbTa-rich (NbTa $>$ 50 at.%) NbTa-Ti-V and W-rich ($>$ 50 at.%) W-Ti-V MPEAs, to rapidly identify promising alloy compositions with enhanced ductility. Validation against experimental data confirms the model's ability to predict ductility with high fidelity and low uncertainty. By leveraging conversational AI and robust physical modeling, DuctGPT provides a blueprint for the next generation of alloy design assistants, enabling human-AI collaboration in the accelerated discovery of ductile, high-performance materials for fusion, aerospace, and advanced manufacturing.

AI/ML↗

Interactions of Polar and Nonpolar Groups of Alcohols in Zeolite Pores

Understanding the quantitative interactions among zeolite pore walls, Bro̷nsted acid sites, and molecules with both polar and nonpolar regions is essential for scoping out the potential of zeolites as sorbents and catalysts. Purely siliceous zeolites (MFI and Beta in the present study) are hydrophobic, whereas those containing aluminum are considered hydrophilic, preferentially adsorbing organic molecules even in aqueous environments. To characterize these interactions, we use primary alcohols of increasing molecular weight, quantifying their specific interactions in the confined pore space of the alkyl (CH x ) and OH groups. Three types of interactions were identified: (i) alkyl CH x groups interacting with the zeolite pore walls (approximately 10 kJ mol −1 per carbon), (ii) alcohol OH groups interacting with the pore walls (30−35 kJ mol −1 ), and (iii) alcohol OH groups interacting with Bro̷nsted acid sites (37 kJ mol −1 ). All three interactions were well mirrored by computational simulations. The contribution of the alkyl CH x groups was inferred from the incremental increase in sorption enthalpy with increasing molecular weight; the interaction strength of the OH groups was determined by extrapolating the global adsorption enthalpy of the alcohols to a hypothetical OH group without an alkyl group. This value was identical to the adsorption enthalpy of water. The experiments demonstrated that only water has an adsorption enthalpy on zeolite pore walls lower than its condensation enthalpy (30−35 kJ mol −1 vs 45 kJ mol −1 ), limiting the concentration of water that can be adsorbed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Contrasting Responses of Hailstorms to Anthropogenic Climate Change in Different Synoptic Weather Systems

Hailstones and extreme precipitation generate substantial economic losses across the United States (US) and the globe. Their strong association with short-lived, intense convective storms poses a great challenge in predicting their future changes. Here, we conducted model simulations at 1.2 km grid spacing for severe convective storms with large hail and heavy precipitation that occurred in two typical types of synoptic-scale environments in spring seasons over the central US under both current and future climate conditions. We find that the responses of large hail (diameters >2.5 cm) to anthropogenic climate change (ACC) are markedly different between the hailstorms developed in the two types of synoptic-scale environments, with over 110% increase in large hail occurrences for the frontal systems, whereas less than 30% increase for the Great Plains low-level jet (GPLLJ) systems. This is explained by the larger increase in convective intensity and updraft width and a smaller increase in warm cloud depth in the frontal storms compared with the GPLLJ storms. Interestingly, the occurrences and intensity of heavy precipitation (rain rate >20 mm hr-1) in both types of systems are similarly sensitive to ACC (e.g., 40% and 33% increases in the occurrences for the frontal and GPLLJ systems, respectively). These results advance our knowledge of hail projection and have important implications for managing risks for future hail.

54 ENVIRONMENTAL SCIENCES↗