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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Bioexcitons by Design: How Do We Get There?

Biological pigment-protein complexes (PPCs) exhibit a remarkable ability to tune the optical properties of biological excitons (bioexcitons) through specific pigment-protein interactions. While such fine-tuning allows natural systems (e.g., photosynthetic proteins) to carry out their native functions with near-optimal performance, native function itself is often suboptimal for applications such as biofuel production or quantum technology development. Furthermore, this perspective offers a look at near-term prospects for the rational reoptimization of PPC bioexcitons for new functions using site-directed mutagenesis. The primary focus is on the "structure-spectrum" challenge of understanding the relationships between structural features and spectroscopic properties. While recent examples demonstrate that site-directed mutagenesis can be used to tune nearly all key bioexciton parameters (e.g., site energies, inter-pigment couplings, and electronic-vibrational interactions), critical challenges remain before we achieve truly rational design of bioexciton properties.

09 BIOMASS FUELS↗
DOE OSTI2022

How to Get the Best Gas Separation Membranes from State-of-the-Art Glassy Polymers

Herein we focus on fundamental polymer science factors in membrane-based gas separation to open another chapter on this important topic. Realistically thinking about nano and angstrom scale matrix attributes that are translatable into higher performance thin glassy polymer asymmetric membrane layers in practical large-scale devices is crucial. Such thinking should be guided by expertise in both polymer and membrane communities to advance the state of the art. Polymer structures, membrane morphologies and effects of operating conditions are discussed here, using specific examples to illustrate key issues. Rubbery polymers are not the focus of this discussion, since they lack diffusive discrimination for size-similar penetrants, which glassy polymers provide and make them the focus here. Four scalable subtopics guide necessary thinking: (i) plasticization; (ii) anti-plasticization†2; (iii) dual-mode transport involving saturation of unrelaxed free volume, and (iv) non-uniform free volume and stress profiles in thin skin glassy polymer asymmetric or composite membranes. Furthermore, using these subtopics in the context of macromolecular science we discuss issues needed to expand the state-of-the-art in gas separation membranes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Let’s Get Real: Are Wearable Plant Sensors Ready for Crop Monitoring?

In recent years, the number of publications describing new and exciting developments in wearable plant sensors (WPSs) has skyrocketed. These small, lightweight sensors hold promise to assist precision agriculture and may thus help reduce crop losses, increase resource use efficiency, and automate crop production. However, WPSs are often not adequately tested in environments relevant for crop growth, and the majority of experimental WPS studies reveal a glaring lack of basic knowledge of plant biology. This review aims to bridge the communication gap between WPS developers and the wider plant research community by (1) providing essential physiological and environmental background information for engineers in relation to WPS sensing capabilities, (2) offering a step-by-step guide to conduct sensor tests on plants correctly, and (3) highlighting potential challenges and suggesting WPS applications in the open field, greenhouses, and vertical farming systems. We hope this review facilitates the development of WPSs and guides them to be truly “ready for the world”.

crop monitoring↗
DOE OSTI2020

Getting to the Root of Plant–Mediated Methane Emissions and Oxidation in a Thermokarst Bog

Vascular plants are important in the wetland methane cycle, but their effect on production, oxidation, and transport has high uncertainty, limiting our ability to predict emissions. In a permafrost–thaw bog in Interior Alaska, we used plant manipulation treatments, field–deployed planar optical oxygen sensors, direct measurements of methane oxidation, and microbial DNA analyses to disentangle mechanisms by which vascular vegetation affect methane emissions. Vegetation operated on top of baseline methane emissions, which varied with proximity to the thawing permafrost margin. Emissions from vegetated plots increased over the season, resulting in cumulative seasonal methane emissions that were 4.1–5.2 g m –2 season –1 greater than unvegetated plots. Mass balance calculations signify these greater emissions were due to increased methane production (3.0–3.5 g m –2 season –1 ) and decreased methane oxidation (1.1–1.6 g m –2 season –1 ). Minimal oxidation occurred along the plant–transport pathway, and oxidation was suppressed outside the plant pathway. Our data indicate suppression of methane oxidation was stimulated by root exudates fueling competition among microbes for electron acceptors. This contention is supported by the fact that methane oxidation and relative abundance of methanotrophs decreased over the season in the presence of vegetation, but methane oxidation remained steady in unvegetated treatments; oxygen was not detected around plant roots but was detected around silicone tubes mimicking aerenchyma; and oxygen injection experiments suggested that oxygen consumption was faster in the presence of vascular vegetation. In conclusion, root exudates are known to fuel methane production, and our work provides evidence they also decrease methane oxidation.

58 GEOSCIENCES↗
DOE OSTI2021

Climate policy models need to get real about people — here’s how

Here, to predict how society and political systems might actually respond to warming, upgrade integrated assessment models. Political support for decarbonizing the global economy is at an all-time high. The good news is that about two-thirds of carbon emissions come from countries that have committed to reach ‘net zero’ by mid-century — they aim to cut their greenhouse-gas outputs and capture as much as they emit. The bad news? The computer models that analysts use to assess routes to achieve such goals are missing a crucial factor: politics.

Peng, Wei↗
DOE OSTI2020

What atoms do when they get together

How atoms organize during the earliest stages of nucleation has been a subject of speculation for over a century. Using atomically resolved electron microscopy, the formation and ordering of metal clusters from individual atoms has now been observed in carbon nanotubes that serve as ‘test tubes’.

De Yoreo, James J.↗
DOE OSTI2021

Getting their days in the sun

Although metal halide perovskite solar cells are extensively investigated in the lab their performance and degradation in real-world outdoor conditions are still poorly understood. Now, researchers propose a method to analyse field data to identify how and why the outdoor device performance changes over time.

14 SOLAR ENERGY↗
DOE OSTI2023

Localized high-concentration electrolytes get more localized through micelle-like structures

Liquid electrolytes in batteries are typically treated as macroscopically homogeneous ionic transport media despite having a complex chemical composition and atomistic solvation structures, leaving a knowledge gap of the microstructural characteristics. Here, we reveal a unique micelle-like structure in a localized high-concentration electrolyte, in which the solvent acts as a surfactant between an insoluble salt in a diluent. The miscibility of the solvent with the diluent and simultaneous solubility of the salt results in a micelle-like structure with a smeared interface and an increased salt concentration at the centre of the salt–solvent clusters that extends the salt solubility. These intermingling miscibility effects have temperature dependencies, wherein a typical localized high-concentration electrolyte peaks in localized cluster salt concentration near room temperature and is used to form a stable solid–electrolyte interphase on a Li metal anode. Importantly, these findings serve as a guide to predicting a stable ternary phase diagram and connecting the electrolyte microstructure with electrolyte formulation and formation protocols of solid–electrolyte interphases for enhanced battery cyclability.

25 ENERGY STORAGE↗
DOE OSTI2025

Ultrathin liquid sheets: water gets in shape for VUV absorption

We present absorption spectra of thin, free-flowing liquid sheets in the vacuum ultraviolet energy range using a gas-squeezed liquid jet. Compared to liquid flow cells, operation without transmission windows eliminates restrictions on the energy range. The temperature of the water sheet is estimated at 0 ± 3 °C, at the verge of the supercooled regime. By adjusting flow conditions in situ, we recorded absorption spectra at water sheet thicknesses ranging from 20 to 50 nm. We show that the absorption spectra of thin jets contain significant contributions from interference effects that need to be deconvoluted from spectral contributions due to the electronic structure. We employ a Fresnel propagation model to model the spectral changes and understand the impact of thickness variations and thin film interference. This opens the door for the investigation of solvation, interface, and similar effects by recording valence band spectra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Let’s get our hands dirty: a comprehensive evaluation of DAQDB, key-value store for petascale hot storage

Data acquisition systems are a key component for successful data taking in any experiment. The DAQ is a complex distributed computing system and coordinates all operations, from the data selection stage of interesting events to storage elements. For the High Luminosity upgrade of the Large Hadron Collider, the experiments at CERN need to meet challenging requirements to record data with a much higher occupancy in the detectors. The DAQ system will receive and deliver data with a significantly increased trigger rate, one million events per second, and capacity, terabytes of data per second. An effective way to meet these requirements is to decouple real-time data acquisition from event selection. Data fragments can be temporarily stored in a large distributed key-value store. Fragments belonging to the same event can be then queried on demand, by the data selection processes. Implementing such a model relies on a proper combination of emerging technologies, such as persistent memory, NVMe SSDs, scalable networking, and data structures, as well as high performance, scalable software. In this paper, we present DAQDB (Data Acquisition Database) — an open source implementation of this design that was presented earlier, with an extensive evaluation of this approach, from the single node to the distributed performance. Furthermore, we complement our study with a description of the challenges faced and the lessons learned while integrating DAQDB with the existing software framework of the ATLAS experiment.

Abed Abud, Adam↗
DOE OSTI2021

CAS without SCF—Why to use CASCI and where to get the orbitals

The complete active space self-consistent field (CASSCF) method has seen broad adoption due to its ability to describe the electronic structure of both the ground and excited states of molecules over a broader swath of the potential energy surface than is possible with the simpler Hartree–Fock approximation. However, it also has a reputation for being unwieldy, computationally costly, and un-black-box. Here, we discuss a class of alternatives, complete active space configuration interaction (CASCI) methods, paying particular attention to their application to electronic excited states. The goal of this Perspective is fourfold. First, we argue that CASCI is not merely an approximation to CASSCF, in that it can be designed to have important qualitative advantages over CASSCF. Second, we present several insights drawn from our experience experimenting with different schemes for computing orbitals to be employed in CASCI. Third, we argue that CASCI is well suited for application to nanomaterials. Lastly, we reason that, with the rise in new low-scaling approaches for describing multireference systems, there is a greater need than ever to develop new methods for defining orbitals that provide an efficient and accurate description of both static correlation and electronic excitations in a limited active space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

How a raindrop gets shattered on biological surfaces

Many biological surfaces of animals and plants (e.g., bird feathers, insect wings, plant leaves, etc.) are superhydrophobic with rough surfaces at different length scales. Previous studies have focused on a simple drop-bouncing behavior on biological surfaces with low-speed impacts. However, we observed that an impacting drop at high speeds exhibits more complicated dynamics with unexpected shock-like patterns: Hundreds of shock-like waves are formed on the spreading drop, and the drop is then abruptly fragmented along with multiple nucleating holes. Such drop dynamics result in the rapid retraction of the spreading drop and thereby a more than twofold decrease in contact time. Our results may shed light on potential biological advantages of hypothermia risk reduction for endothermic animals and spore spreading enhancement for fungi via wave-induced drop fragmentation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Get on the BAND Wagon: a Bayesian framework for quantifying model uncertainties in nuclear dynamics

In this paper, we describe the Bayesian Analysis of Nuclear Dynamics (BAND) framework, a cyberinfrastructure that we are developing which will unify the treatment of nuclear models, experimental data, and associated uncertainties. We overview the statistical principles and nuclear-physics contexts underlying the BAND toolset, with an emphasis on Bayesian methodology's ability to leverage insight from multiple models. In order to facilitate understanding of these tools we provide a simple and accessible example of the BAND framework's application. Four case studies are presented to highlight how elements of the framework will enable progress on complex, far-ranging problems in nuclear physics. By collecting notation and terminology, providing illustrative examples, and giving an overview of the associated techniques, this paper aims to open paths through which the nuclear physics and statistics communities can contribute to and build upon the BAND framework.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Dark Energy Survey Year 3 results: calibration of lens sample redshift distributions using clustering redshifts with BOSS/eBOSS

ABSTRACT We present clustering redshift measurements for Dark Energy Survey (DES) lens sample galaxies used in weak gravitational lensing and galaxy clustering studies. To perform these measurements, we cross-correlate with spectroscopic galaxies from the Baryon Acoustic Oscillation Survey (BOSS) and its extension, eBOSS. We validate our methodology in simulations, including a new technique to calibrate systematic errors that result from the galaxy clustering bias, and we find that our method is generally unbiased in calibrating the mean redshift. We apply our method to the data, and estimate the redshift distribution for 11 different photometrically selected bins. We find general agreement between clustering redshift and photometric redshift estimates, with differences on the inferred mean redshift found to be below |Δz| = 0.01 in most of the bins. We also test a method to calibrate a width parameter for redshift distributions, which we found necessary to use for some of our samples. Our typical uncertainties on the mean redshift ranged from 0.003 to 0.008, while our uncertainties on the width ranged from 4 to 9 per cent. We discuss how these results calibrate the photometric redshift distributions used in companion papers for DES Year 3 results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Will cities keep getting hotter? The interplay of urban expansion and greening reshapes future urban heat trajectories

Urban heat islands (UHIs) pose growing risks to public health, infrastructure, and resilience. While often assumed to intensify with urban growth, dynamic changes in urban expansion and vegetation greenness complicate UHI trajectories, which remain poorly understood. This study investigated the interplay of urban expansion and greenness change on UHI spatial profile across 36 Chinese megacities during 2003–2018 using multiple satellite products. We introduce a framework that classifies urban areas into four dynamic development pathways based on impervious surface area (ISA) and enhanced vegetation index (EVI) trends: urbanized-greening, urbanized-browning, urbanizing-greening (UingG), and urbanizing-browning (UingB). While most urbanized centers exhibited greening driven by targeted initiatives and urbanizing suburbs showed browning due to vegetation loss, about 30% urban areas showed the reverse pattern, revealing overlooked complexity in urban development. Urban expansion and browning strengthened UHI in suburban areas, whereas greening initiatives mitigated UHI in urban center and mitigated UHI enhancement in suburban areas. Slowed warming in urban centers together with accelerated warming in suburban areas flattened the temperature gradient between urban centers and suburbs. This dynamic expanded the spatial extent of elevated temperatures and reshaped the classic urban-to-rural UHI profile into a flatter form. In UingB areas, UHI intensification was jointly driven by increase in ISA, vegetation loss, and their interaction, while in UingG areas, EVI increases and a negative interaction together offset over half of the warming driven by urban expansion. These findings reveal that UHI evolution is not unidirectional but depends on localized urbanization and greening dynamics, offering pathways for strategic heat mitigation.

greening initiative↗
DOE OSTI2020

The older plant gets the sun: Age-related changes in Miscanthus × giganteus phenology

Age-related changes are usually overlooked in perennial grass research; when they are considered it is usually as a change in plant size (e.g., biomass). Whether other physiological or developmental aspects change as stands age, and how those aspects may impact long-term stand dynamics, remains unclear. Conventional experimental designs study a single stand over multiple growing seasons and thereby confound age-related changes with growing season conditions. Here we used a staggered-start experimental design with three repeated planting years over two growing seasons to isolate growing season effects. We studied changes in Miscanthus × giganteus phenology during its yield-building stage (first 3 years) and estimated age, growing season and nitrogen (N) effects on development using nonlinear regression parameters. Stand age clearly changed plant growth; faster developmental rates were usually seen in 1-year-old stands (young), but because 2- and 3-year-old stands (mature) emerged 3 months earlier than newly planted stands they produced ~30% more stems with 30%–60% more leaves. Nitrogen fertilization modulated some age-related phenological changes. Fertilized 2-year-old stands reached similar stem densities as unfertilized 3-year-old stands and had fewer number of senesced leaves like 1-year-old stands. In addition, N fertilization had no effect on young M. × giganteus , but extended mature stands’ growing season more than 2 weeks by hastening emergence and delaying senescence. It also delayed flowering regardless of stand age. Our results suggest that, along with changes in size, M. × giganteus stands showed shifts in developmental strategies: young stands emerged later and developed faster, while mature stands grew for longer but more slowly. In temperate regions, where hard frost events are likely to interrupt development in late autumn, rapid early development is critical to plant survival. Nonlinear regression parameter differences proved effective in identifying phenological shifts.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Getting Hydrogen to the Gigaton Scale

Due to its ability to perform clean, efficient processes, hydrogen has long been promoted as the energy carrier of the future, but recent activity and advances suggest a tipping point has been reached as hydrogen is now being recognized by much of the world for its unique capabilities to strongly support global efforts in achieving climate neutrality. The coming decades will require a massive increase in the amount of hydrogen used in the energy system as well as a transition from largely thermochemical to predominantly electrochemical processes involving hydrogen. For this to happen, hydrogen will need to globally approach the gigaton-scale on an annual basis. Thus, before hydrogen can fully achieve its potential, challenges that need to be addressed include achieving scale and further research and development (R&D) advances.

climate neutrality↗