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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 163 records · Page 9

Ubiquitous short-range order in multi-principal element alloys

Recent research in multi-principal element alloys (MPEAs) has increasingly focused on the role of short-range order (SRO) on material performance. However, the mechanisms of SRO formation and its precise control remain elusive, limiting the progress of SRO engineering. Here, leveraging advanced additive manufacturing techniques that produce samples with a wide range of cooling rates (up to 10 7 K s –1 ) and an enhanced semi-quantitative electron microscopy method, we characterize SRO in three CoCrNi-based face-centered-cubic (FCC) MPEAs. Surprisingly, irrespective of the processing and thermal treatment history, all samples exhibit similar levels of SRO. Atomistic simulations reveal that during solidification, prevalent local chemical order arises in the liquid-solid interface (solidification front) even under the extreme cooling rate of 10 11 K s –1 . This phenomenon stems from the swift atomic diffusion in the supercooled liquid, which matches or even surpasses the rate of solidification. Therefore, SRO is an inherent characteristic of most FCC MPEAs, insensitive to variations in cooling rates and even annealing treatments typically available in experiments.

36 MATERIALS SCIENCE↗

Transient hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation. I. Conformer- and isomer-resolved infrared spectra

Transient carbon-centered hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation are characterized by infrared (IR) action spectroscopy under jet-cooled conditions with selective detection of hydroxyl (OH) radical products. Two distinct •QOOH isomers with radical sites at a primary carbon of one of the methyl groups (β-Me) or a secondary carbon (β-Et) of the ethyl group are identified by comparison with theoretically calculated IR absorption features for multiple conformers, including C–O, ethyl, and O–O torsions of the two isomers. Here, a master-equation analysis is developed and utilized to explore the conformational cooling process and the resultant conformer population distributions of the two isomers. Most of the IR features observed, including those in the strong fundamental and first overtone OH stretch regions as well as weaker combination bands involving OH stretch with torsion or OOH bend, are in good accord with computed anharmonic frequencies for the most populated conformers of the •QOOH_Et isomer. Relatively weak IR features most evident in the fundamental and first overtone OH stretch regions are ascribed to multiple conformers of the less stable •QOOH_Me isomer, along with a weak feature that is uniquely attributed to a combination band involving asymmetric CH 2 stretch and HCH bend of •QOOH_Me.

Chemical reaction jet spectroscopy↗

AmeriFlux US-UR8 Yellow Jacket - UCRB

This is the AmeriFlux version of the carbon flux data for the site US-UR8 Yellow Jacket - UCRB. Site Description - This site is located in Yellow Jacket, Colorado, on a moderate slope. The area is irrigated using a center pivot system, with alfalfa being the dominant vegetation. The region experiences a temperate climate, characterized by cool to mild temperatures throughout the year and substantial annual precipitation, creating favorable conditions for agricultural activities.

Neale, C. U. [Daugherty Water for Food Global Inst↗

Global Temperature Responses to Large Tropical Volcanic Eruptions in Paleo Data Assimilation Products and Climate Model Simulations Over the Last Millennium

Abstract Large volcanic eruptions are one of the dominant perturbations to global and regional atmospheric temperatures on timescales of years to decades. Discrepancies remain, however, in the estimated magnitude and persistence of the surface temperature cooling caused by volcanic eruptions, as characterized by paleoclimatic proxies and climate models. We investigate these discrepancies in the context of large tropical eruptions over the Last Millennium using two state‐of‐the‐art data assimilation products, the Paleo Hydrodynamics Data Assimilation product (PHYDA) and the Last Millennium Reanalysis (LMR), and simulations from the National Center for Atmospheric Research Community Earth System Model‐Last Millennium Ensemble (NCAR CESM‐LME). We find that PHYDA and LMR estimate mean global and hemispheric cooling that is similar in magnitude and persistence once effects from eruptions occurring in short succession are removed. The estimates also compare well to Northern‐Hemisphere reconstructions based solely or partially on tree‐ring density, which have been proposed as the most accurate proxy estimates of surface cooling due to volcanism. All proxy‐based estimates also agree well with the magnitude of the mean cooling simulated by the CESM‐LME. Differences remain, however, in the spatial patterns of the temperature responses in the PHYDA, LMR, and the CESM‐LME. The duration of cooling anomalies also persists for several years longer in the PHYDA and LMR relative to the CESM‐LME. Our results demonstrate progress in resolving discrepancies between proxy‐ and model‐based estimates of temperature responses to volcanism, but also indicate these estimates must be further reconciled to better characterize the risks of future volcanic eruptions.

Tejedor, E.↗

CdSe Magic-Size Clusters Deviate from Nanocrystal-Size Scalings for Ultrafast Intraband Relaxation and Auger Recombination

The cluster regime of colloidal semiconductor quantum dots (QDs) occupies an interesting space on the continuum from molecule to bulk material and allow the study of QD properties at extreme quantum confinement limits. For typical QDs, several size-dependent property trends are well established including intraband relaxation rates and universal scaling of Auger recombination with particle volume. Advances in synthesis now allow isolation of atomically precise semiconductor magic-size clusters (MCs), which offer experimental insight regarding how electronic structure changes with particle size in the ultrasmall limit. Here, we report intraband cooling and Auger recombination for several stable CdSe MCs as a function of particle size and observe deviation from QD response in the cluster regime. We additionally show optical signatures ascribed to transient disordering 2 that appear in the single exciton regime for MCs, which point to complexities regarding their implementation.

Auger recombination↗

Beam-beam backgrounds for the Cool Copper Collider

In this paper, we present a comprehensive characterization of beam-beam backgrounds for the Cool Copper Collider (C 3 ), a proposed linear e + e - collider designed for precision Higgs studies at center-of-mass energies of 250 and 550 GeV. Using a simulation pipeline based on the Key4hep framework, we evaluate incoherent pair production and hadron photoproduction backgrounds through the SiD detector for baseline, power-efficiency, and high-luminosity C 3 operating scenarios. The occupancy induced by the beam-beam background is evaluated for each scenario, validating the compatibility of the existing SiD detector design with operations at C 3 without substantial modifications. Furthermore, at the same time, the modular simulation framework and analysis methodology presented in this paper offer a versatile toolkit for background studies in future collider proposals, contributing to a common platform for different machine designs.

Analysis and statistical methods↗

Beyond fragmented dopant dynamics in quantum spin lattices: Robust localization and non-Gaussian diffusion

The motion of dopants in magnetic spin lattices has received tremendous attention for at least four decades due to its connection to high-temperature superconductivity. Despite these efforts, we lack a complete understanding of their behavior, especially out of the equilibrium and at nonzero temperatures. In this paper, we take a significant step towards a much deeper understanding based on state-of-the-art matrix-product-state calculations. In particular, we investigate the nonequilibrium dynamics of a dopant in two-leg 𝑡−𝐽 ladders with antiferromagnetic XXZ spin interactions. In the Ising limit, we find that the dopant is localized for all investigated nonzero temperatures due to an emergent disordered potential, with a localization length controlled by the underlying correlation length of the spin lattice, which increases exponentially with decreasing temperature. The dopant, hereby, only delocalizes asymptotically in the zero temperature limit. This greatly generalizes the localization effect discovered recently in Hilbert space fragmented models [Phys. Rev. Res. 6, 023325 (2024), SciPost Phys. Core 7, 054 (2024)]. In the presence of spin-exchange processes at rate 𝛼, the dopant diffuses with a diffusion coefficient, 𝐷 ℎ , depending nonmonotonically on 𝛼. It initially increases linearly as 𝐷 ℎ ∝ 𝛼 for 𝛼 ≪ 1 before dropping off as 𝛼 −1 for 𝛼 > 1. Moreover, we show that the underlying spin dynamics at infinite temperature behaves qualitatively the same, albeit with important quantitative differences. We substantiate these findings by showing that the dynamics features self-similar scaling behavior, which strongly deviates from the Gaussian behavior of regular diffusion, especially for weak spin exchange. Finally, we show that the diffusion coefficient 𝐷 ℎ follows an Arrhenius relation at high temperatures, whereby it is exponentially suppressed upon cooling.

Anomalous diffusion↗

Minneapolis American Indian Center Solar + Battery Resilience Hub

To meet south Minneapolis, Minnesota's clean energy goals, the community exploring opportunities to transition Minneapolis American Indian Center (MAIC) into a resilience hub to provide critical community services during power outages, including shelter and warmth or cooling, continued food distribution services, and more. The National Renewable Energy Laboratory, through the U.S. Department of Energy's Communities LEAP (Local Energy Action Program) pilot, worked with MAIC to quantify the costs and benefits of installing stand-alone solar photovoltaics (PV) and PV paired with battery systems to reduce energy costs, avoid emissions, and improve resilience.

BESS↗

Improvements in High Temperature Gas Cooled Reactor Modeling Capabilities in the Pronghorn Code

This report details the improvement of pebble bed reactor modeling capabilities in the Pronghorn code in fiscal year 2022. The following accomplishments are reported: Deployment of weakly compressible finite volume formulation to the HTR- PM reference plan model; Enable modeling of stagnant gas gaps in the finite volume formulation; Enable using all Pronghorn correlations available in the finite element version in the finite volume version; Modeling of decay heat in pebble bed reactors; Simplifying the input for multiphysics equilibrium core calculations and significant reduction of execution time; Implementation of advanced correlations developed by the Center of Excellence for Thermal-Fluids Applications in Nuclear Energy . In addition, this report includes a development plan for Pronghorn and associated NEAMS tools for prismatic gas-cooled reactors.

97 MATHEMATICS AND COMPUTING↗

The seeds and homogeneous nucleation of photoinduced nonthermal melting in semiconductors due to self-amplified local dynamic instability

Laser-induced nonthermal melting in semiconductors has been studied over the past four decades, but the underlying mechanism is still under debate. Here, by using an advanced real-time time-dependent density functional theory simulation, we reveal that the photoexcitation-induced ultrafast nonthermal melting in silicon occurs via homogeneous nucleation with random seeds originating from a self-amplified local dynamic instability. Because of this local dynamic instability, any initial small random thermal displacements of atoms can be amplified by a charge transfer of photoexcited carriers, which, in turn, creates a local self-trapping center for the excited carriers and yields the random nucleation seeds. Because a sufficient amount of photoexcited hot carriers must be cooled down to band edges before participating in the self-amplification of local lattice distortions, the time needed for hot carrier cooling is the response for the longer melting time scales at shorter laser wavelengths. This finding provides fresh insights into photoinduced ultrafast nonthermal melting.

42 ENGINEERING↗

Modeling Framework for Data Center

This chapter highlights the critical need for advanced modeling of data centers due to their rapidly increasing energy consumption and impact on grid reliability. Driven by the demand for AI applications, data centers are projected to consume a significant portion of US energy by 2028, putting stress on an already challenged power grid. The chapter emphasizes the importance of "fast" time-scale models to understand the dynamic interactions between data centers and the grid, especially given the rapid power fluctuations of AI workloads. It outlines a modeling framework that includes both offline and real-time EMT domain simulations, detailing the necessary representations for various components like utility interfaces, transformers, IT loads, UPS, cooling loads, Battery Energy Storage Systems (BESS), generators, protection systems, and higher-level control systems. While standard simulation tools like PSCAD offer basic models, custom development is often required to accurately capture the unique and fast-changing behaviors of modern data centers. The chapter also discusses key metrics and test cases for validating these models, focusing on transient load responses, protection relay coordination, and demand flexibility. Finally, it addresses the challenges of modeling large-scale data centers, such as computational complexity and the trade-off between model fidelity and practicality, suggesting hybrid modeling approaches as a solution. The overarching goal is to create a robust framework that helps assess data center impacts on grid stability, identify vulnerabilities, and inform the development of standards for reliable integration of these large loads into the bulk power system.

25 ENERGY STORAGE↗

A next-generation inverse-geometry spallation-driven ultracold neutron source

The physics model of a next-generation spallation-driven high-current ultracold neutron (UCN) source capable of delivering an extracted UCN rate of around an order of magnitude higher than the strongest proposed sources, and around three orders of magnitude higher than existing sources, is presented. This UCN-current-optimized source would dramatically improve cutting-edge UCN measurements that are currently statistically limited. A novel “Inverse Geometry” design is used with 40 l of superfluid 4He (He-II), which acts as the converter of cold neutrons to UCNs, cooled with state-of-the-art subcooled cryogenic technology to ∼1.6K. Our source design is optimized for a 100 W maximum heat load constraint on the He-II and its vessel. In this paper, we first explore modifying the Lujan Center Mark-3 target for UCN production as a benchmark. In our Inverse Geometry, the spallation target is wrapped symmetrically around the cryogenic UCN converter to permit raster scanning the proton beam over a relatively large volume of tungsten spallation target to reduce the demand on the cooling requirements, which makes it reasonable to assume that water edge-cooling only is sufficient. Our design is refined in several steps to reach a UCN production rate PUCN=2.1×109s−1 under our other restriction of 1MW maximum available proton beam power. We then study the effects of the He-II scattering kernel used as well as reductions in PUCN due to pressurization to reach PUCN=1.8×109s−1. Finally, we provide a design for the UCN extraction system that takes into account the required He-II heat transport properties and implementation of a He-II containment foil that allows UCN transmission. We estimate a total useful UCN current from our source of Ruse≈5×108s−1 from an 18cm diameter guide ∼5m from the source. Under a conservative “no return” (or “single passage”) approximation, this rate can produce an extracted density of >1×104UCNcm−3 in <1000l external experimental volumes with a 58Ni (335neV) cutoff potential.

Leung, K. K. H. (ORCID:0000000203285326)↗

A cryogenic continuously rotating half-wave plate mechanism for the POLARBEAR-2b cosmic microwave background receiver

In this report we present the design and laboratory evaluation of a cryogenic continuously rotating half-wave plate (CHWP) for the POLARBEAR-2b (PB-2b) cosmic microwave background receiver, the second installment of the Simons Array. PB-2b will observe at 5200 m elevation in the Atacama Desert of Chile in two frequency bands centered at 90 GHz and 150 GHz. In order to suppress atmospheric 1/f noise and mitigate systematic effects that arise when differencing orthogonal detectors, PB-2b modulates linear sky polarization using a CHWP rotating at 2 Hz. The CHWP has a 440 mm clear aperture diameter and is cooled to ≈50 K in the PB-2b receiver cryostat. It consists of a low-friction superconducting magnetic bearing and a low-torque synchronous electromagnetic motor, which together dissipate < 2 W. During cooldown, a grip-and-release mechanism centers the rotor to < 0.5 mm, and during continuous rotation, an incremental optical encoder measures the rotor angle with a noise level of 0.1 μrad/Hz. We discuss the experimental requirements for the PB-2b CHWP, the designs of its various subsystems, and the results of its evaluation in the laboratory. The presented CHWP has been deployed to Chile and is expected to see first light on PB-2b in 2020 or 2021.

47 OTHER INSTRUMENTATION↗

Thermochromic Halide Perovskite Windows with Ideal Transition Temperatures

Abstract Urban centers across the globe are responsible for a significant fraction of energy consumption and CO 2 emission. As urban centers continue to grow, the popularity of glass as cladding material in urban buildings is an alarming trend. Dynamic windows reduce heating and cooling loads in buildings by passive heating in cold seasons and mitigating solar heat gain in hot seasons. Here, reduced energy consumption in highly glazed buildings in a mesoscopic building energy model is demonstrated when thermochromic windows are employed. Savings are realized across eight disparate climate zones of the United States. The model is used to determine ideal critical transition temperatures of 20–27.5 °C for thermochromic windows based on metal halide perovskite materials. Ideal transition temperatures are realized experimentally in composite metal halide perovskite films composed of perovskite crystals and an adjacent reservoir phase. The transition temperature is controlled by cointercalating methanol, instead of water, with methylammonium iodide and tailoring the hydrogen‐bonding chemistry of the reservoir phase. Thermochromic windows based on metal halide perovskites represent a clear opportunity to mitigate the effects of energy‐hungry buildings.

14 SOLAR ENERGY↗

On the prospects of optical cycling in diatomic cations: effects of transition metals, spin–orbit couplings, and multiple bonds

Molecules with optical cycling centers (OCCs) are highly desirable in the context of fundamental studies as well as applications (e.g., quantum computing) because they can be effectively cooled to very low temperatures by repeated absorption and emission (hence, cycling). Charged species offer additional advantages for experimental control and manipulation. Here, we present a systematic computational study of a series of diatomic radical-cations made of a d-block metal and a p-block ligand, that are isoelectronic (in their valence shell) to the successfully laser-cooled neutral molecules. Using high-level electronic structure methods, we characterize state and transition properties of low-lying electronic states and compute Franck-Condon factors. The computed branching ratios and radiative lifetimes reveal that the electronic transitions analogous to those successfully used in the laser cooling of neutral molecules are less than optimal in the cations. We propose alternative transitions suitable for optical cycling and highlight trends that could assist future designs of OCCs in charged or neutral molecules.

74 ATOMIC AND MOLECULAR PHYSICS↗

Beam-Based Target Alignment for Mu2e

The Mu2e Experiment is a precision experiment at Fermi National Accelerator Laboratory, searching for charged lepton flavor violation (CLFV) in the conversion of a muon to an electron in the presence of an atomic nucleus. In order to achieve the expected single-event sensitivity of $3\times 10^{-17}$ , Mu2e will require an intense muon beam, generated via pion decay. These pions are the product of a proton beam striking a radiatively-cooled tungsten target. In order to maximize pion production and prevent target failure, the beam will have to be aligned with the target center to within 0.5 mm. The production target monitor (PTM) will ensure this alignment. The PTM consists of a series of proportional wire chambers (PWC’s) upstream and downstream of the production target. In this dissertation, I explain the requirements of this detector system and derive the decisions about which detector model to use and how they should be arranged from these requirements. After this, I describe my e xperience building the detectors and show an early use for them in the Mu2e proton beam. I also performed a study of the sensitivity and time resolution of this model of PWC and its electronics, and give the results here. I then describe a series of simulation campaigns which shed light on the interactions between the beam and the target, and how these interactions manifest on the downstream detectors. Finally, I give the target scanning procedure to be used to align the beam and target during experiment start up.

43 PARTICLE ACCELERATORS↗

Biologically Cooling the Planet: A BRISK Approach that Directly Connects the Ground to Deep Space

Climate change is a grave threat to our ability to thrive and prosper on Earth. Accumulation of greenhouse gases in the atmosphere stifle the Earth’s ability to cool itself, which leads to a rise of the average temperature – Global warming. The planetary cooling is exclusively radiative – thermal radiation escapes into cold outer space via a flux of photons at the low-infrared range. The penetration of these photons through Earth’s atmosphere is dictated by atmospheric transparency, which, serendipitously possesses a window centered around the peak of the Plank spectrum for a black body at about room temperature – the average temperature of Earth. This window spanning about 8 --13 μm wavelengths allows most of the photons in this range to escape into the Cosmos carrying our planet’s heat away. The efficiency of this outer heat flux – and thus planet’s cooling ability – can be controlled via emissivity – a function of wavelength which multiplies the fundamental Plank spectrum of a black body at a given temperature. In the presence of non-trivial atmospheric transparency it can be shown that radiative cooling can be enhanced with properly “designed” emissivity function. For the last 100 years, or so, people have been looking into ways to engineer materials to take advantage of such enhancement for various cooling applications, from making ice to cool clothes, and substantial progress has been achieved, including cooling in direct sunlight. The beauty if this approach is that it is entirely passive – no energy input is required. The objective of this project was to investigate whether biological systems possess such advanced cooling capacity, developed via millennia of evolution, to enhance plant’s adaptation to a hot environment, to increase cooling capability, and possibly modulate spectral emissivities on short or long time scales. We wanted to know if BRISK (Biological Radiative Sky Cooling) occurs and to what extent. It is unknown whether biological systems can perform this "spectral redistribution." It is reasonable to expect, however, that they might: in particular, desert plants under high heat stress and arid conditions might evolve this mechanism in order to maintain a tolerable internal temperature. Our intended approach was twofold: extensive literature search and supporting experimental investigations on select plants. We obtained the answers from the former, while the latter proved to be more complicated to perform with required accuracy in the timespan/budget of a small seedling project. After one year of research, we concluded that among the plant species studied there seem to be no evidence of BRISK, but it’s not the end of the story. Our planet’s biosphere is immense, and the evolution is continuing. With our preliminary results and a better understanding of what to look for further discoveries await, considering the accelerated pace of infrared imaging and spectroscopy technology development, from microscopic to satellite-based studies of plants and canopies. In the end, Earth’s energy balance is ultimately tied to radiative cooling so that further investigation into this problem is directly tied to solving the Climate Change challenge.

54 ENVIRONMENTAL SCIENCES↗

The water use of data center workloads: A review and assessment of key determinants

The global importance of data center water use is increasing with the rapid growth of digitalization and artificial intelligence. This study analyzes the factors influencing workload-level water use, measured in liters consumed per workload, to guide water-saving strategies in data centers. Our findings reveal workload-level water use variations exceeding 10,000-fold, driven by over 1000-fold differences in water consumption per kilowatt hour of server electricity consumed and approximately 10-fold differences in server workload efficiency. Key determinants are ranked as server efficiency, electrical grid water consumption factors, server utilization, cooling system type, infrastructure efficiency, climate zone, inactive server percentage, and server refresh cycle. Notably, there is no single recipe for minimizing water use; instead, optimal outcomes depend on tailored combinations of these factors. This analysis addresses critical knowledge gaps by identifying the determinants of data center water use and exploring their achievable minima under diverse site-specific constraints.

Data centers↗