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At least 433 records · Page 24

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DOE OSTI2020

P-model v1.0: an optimality-based light use efficiency model for simulating ecosystem gross primary production

Terrestrial photosynthesis is the basis for vegetation growth and drives the land carbon cycle. Accurately simulating gross primary production (GPP, ecosystem-level apparent photosynthesis) is key for satellite monitoring and Earth system model predictions under climate change. While robust models exist for describing leaf-level photosynthesis, predictions diverge due to uncertain photosynthetic traits and parameters which vary on multiple spatial and temporal scales. Here, we describe and evaluate a GPP (photosynthesis per unit ground area) model, the P-model, that combines the Farquhar–von Caemmerer–Berry model for C 3 photosynthesis with an optimality principle for the carbon assimilation–transpiration trade-off, and predicts a multi-day average light use efficiency (LUE) for any climate and C 3 vegetation type. The model builds on the theory developed in Prentice et al. (2014) and Wang et al. (2017a) and is extended to include low temperature effects on the intrinsic quantum yield and an empirical soil moisture stress factor. The model is forced with site-level data of the fraction of absorbed photosynthetically active radiation (fAPAR) and meteorological data and is evaluated against GPP estimates from a globally distributed network of ecosystem flux measurements. Although the P-model requires relatively few inputs, the R 2 for predicted versus observed GPP based on the full model setup is 0.75 (8 d mean, 126 sites) – similar to comparable satellite-data-driven GPP models but without predefined vegetation-type-specific parameters. The R 2 is reduced to 0.70 when not accounting for the reduction in quantum yield at low temperatures and effects of low soil moisture on LUE. The R 2 for the P-model-predicted LUE is 0.32 (means by site) and 0.48 (means by vegetation type). Applying this model for global-scale simulations yields a total global GPP of 106–122 Pg C yr –1 (mean of 2001–2011), depending on the fAPAR forcing data. The P-model provides a simple but powerful method for predicting – rather than prescribing – light use efficiency and simulating terrestrial photosynthesis across a wide range of conditions. The model is available as an R package (rpmodel).

54 ENVIRONMENTAL SCIENCES↗

NASA NTRSDate not supplied

Improvements to GlennICE Collection Efficiency Algorithm

GlennICE (Glenn Icing Computational Environment) is a computational tool designed to calculate ice growth on complex three-dimensional geometries using the input from a user-supplied computational fluid dynamics (CFD) solution for the geometry of interest. The NASA John H. Glenn Research Center at Lewis Field is developing this tool to aid those evaluating, designing and certifying aircraft, engines, and aircraft components for flight in icing conditions. This domestically available software is being developed to enable the introduction of new icing physics into a computational environment in a manner that is open for evaluation and eventual use by industry, academia, and other government organizations. This paper will document recent improvements that reduce the number of trajectories needed to converge on collection efficiency. These improvements are documented using example cases with complex geometries.

Aircraft Icing↗

NASA NTRSDate not supplied

Improvements to GlennICE Collection Efficiency Algorithm

Aircraft Icing↗

NASA NTRS1992

Growth of a delta-doped silicon layer by molecular beam epitaxy on a charge-coupled device for reflection-limited ultraviolet quantum efficiency

Low-temperature silicon molecular beam epitaxy is used to grow a delta-doped silicon layer on a fully processed charge-coupled device (CCD). The measured quantum efficiency of the delta-doped backside-thinned CCD is in agreement with the reflection limit for light incident on the back surface in the spectral range of 260-600 nm. The 2.5 nm silicon layer, grown at 450 C, contained a boron delta-layer with surface density of about 2 x 10 exp 14/sq cm. Passivation of the surface was done by steam oxidation of a nominally undoped 1.5 nm Si cap layer. The UV quantum efficiency was found to be uniform and stable with respect to thermal cycling and illumination conditions.

Hoenk, Michael E.↗

NASA NTRS2008

Quiet Cruise Efficient Short Take-off and Landing Subsonic Transport System

This NASA funded study conceived a revolutionary airplane concept to enable future traffic growth by using regional air space. This requires a very quiet airplane with STOL capability. Starting with a Blended Wing Body that is cruise efficient with inherent low noise characteristics from forward noise shielding and void of aft downward noise reflections, integration of embedded distributed propulsion enables incorporation of the revolutionary concept for jet noise shielding. Embedded distributed propulsion also enables incorporation of a fan bleed internally blown flap for quiet powered lift. The powered lift provides STOL capability for operation at regional airports with rapid take-off and descent to further reduce flyover noise. This study focused on configuring the total engine noise shielding STOL concept with a BWB airplane using the Boeing Phantom Works WingMOD multidisciplinary optimization code to define a planform that is pitch controllable. The configuration was then sized and mission data developed to enable NASA to assess the flyover and sideline noise. The foundational technologies needed are identified including military dual use benefits.

Kawai, Ron↗

DOE OSTI2020

What does the future hold for utility electricity efficiency programs?

Here, this study develops projections of future spending and savings from electricity efficiency programs funded by electric utility customers in the United States through 2030 based on three scenarios. Our analysis relies on detailed bottom-up modeling of current state energy efficiency policies, demand-side management and integrated resource plans, and regulatory decisions. The three scenarios represent a range of potential outcomes given the policy environment at the time of the study and uncertainties in the broader economic and state policy environment in each state. We project spending to increase to $8.6 billion in 2030 in the medium scenario, about a 45 percent increase relative to 2016 spending. In the high case, annual spending increases to $11.1 billion in 2030 and remains relatively flat in the low case ($6.8 billion in 2030). Our analysis suggests that electricity efficiency programs funded by utility customers will continue to impact load growth significantly at least through 2030, as savings as a percent of retail sales are forecast at 0.7 percent in the medium scenario and 0.98 percent in the high scenario.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2021

Mapping Global Forest Age from Forest Inventories, Biomass and Climate Data

Forest age can determine the capacity of a forest to uptake carbon from the atmosphere. However, a lack of global diagnostics that reflect the forest stage and associated disturbance regimes hampers the quantification of age-related differences in forest carbon dynamics. This study provides a new global distribution of forest age circa 2010, estimated using a machine learning approach trained with more than 40 000 plots using forest inventory, biomass and climate data. First, an evaluation against the plot-level measurements of forest age reveals that the data-driven method has a relatively good predictive capacity of classifying old-growth vs. non-old-growth (precision = 0.81 and 0.99 for old-growth and non-old-growth, respectively) forests and estimating corresponding forest age estimates (NSE = 0.6 – Nash–Sutcliffe efficiency – and RMSE = 50 years – root-mean-square error). However, there are systematic biases of overestimation in young- and underestimation in old-forest stands, respectively. Globally, we find a large variability in forest age with the old-growth forests in the tropical regions of Amazon and Congo, young forests in China, and intermediate stands in Europe. Furthermore, we find that the regions with high rates of deforestation or forest degradation (e.g. the arc of deforestation in the Amazon) are composed mainly of younger stands. Assessment of forest age in the climate space shows that the old forests are either in cold and dry regions or warm and wet regions, while young–intermediate forests span a large climatic gradient. Finally, comparing the presented forest age estimates with a series of regional products reveals differences rooted in different approaches and different in situ observations and global-scale products. Despite showing robustness in cross-validation results, additional methodological insights on further developments should as much as possible harmonize data across the different approaches. The forest age dataset presented here provides additional insights into the global distribution of forest age to better understand the global dynamics in the forest water and carbon cycles. The forest age datasets are openly available at https://doi.org/10.17871/ForestAgeBGI.2021 (Besnard et al., 2021).

Simon Besnard↗

DOE OSTI2025

Advances in Desiccant Wheels for Dehumidification, VOC Mitigation, and CO 2 Removal for Energy-Efficient IAQ Management

Humidity control is pivotal to maintain occupant thermal comfort and suppress mold growth in indoor environments. Furthermore, poor indoor air quality (IAQ) due to the presence of volatile organic compounds (VOCs) and high concentrations (>1,000 ppm) of CO 2 can cause health issues and negatively affect cognitive performance. Therefore, providing high-quality indoor air has gained significant attention over the past decade. Conventional cooling coil and filter-based HVAC systems have limited capability to meet the augmented demand for occupant thermal comfort and high indoor air quality. Moreover, modern buildings are increasingly airtight to save energy, and increasing ventilation to mitigate VOC and CO 2 concentration is discouraged. Separate sensible and latent cooling technology using a rotary desiccant wheel presents a promising solution in this respect. Because of the development of desiccant materials with high water vapor, VOC, and CO 2 uptake, desiccant wheels can be used as an integrated technology option for IAQ management. Here, to promote desiccant wheel use for energy-efficient management of IAQ in buildings, this article reviews recent advancements in using desiccant wheels for dehumidification, VOC mitigation, and CO 2 capture from outdoor air. Finally, the article presents the authors’ perspective by summarizing the key research gaps in the field and discussing the future direction of research to address these gaps from two different aspects, namely, suitable adsorbent material development and desiccant wheel design.

CO2 capture↗

NASA NTRS1992

Application of fiber bridging models to fatigue crack growth in unidirectional titanium matrix composites

Several fiber bridging models were reviewed and applied to study the matrix fatigue crack growth behavior in center notched (0)(sub 8) SCS-6/Ti-15-3 and (0)(sub 4) SCS-6/Ti-6Al-4V laminates. Observations revealed that fatigue damage consisted primarily of matrix cracks and fiber matrix interfacial failure in the (0)(sub 8) SCS-6/Ti-15-3 laminates. Fiber-matrix interface failure included fracture of the brittle reaction zone and cracking between the two carbon rich fiber coatings. Intact fibers in the wake of the matrix cracks reduce the stress intensity factor range. Thus, an applied stress intensity factor range is inappropriate to characterize matrix crack growth behavior. Fiber bridging models were used to determine the matrix stress intensity factor range in titanium metal matrix composites. In these models, the fibers in the wake of the crack are idealized as a closure pressure. An unknown constant frictional shear stress is assumed to act along the debond or slip length of the bridging fibers. The frictional shear stress was used as a curve fitting parameter to available data (crack growth data, crack opening displacement data, and debond length data). Large variations in the frictional shear stress required to fit the experimental data indicate that the fiber bridging models in their present form lack predictive capabilities. However, these models provide an efficient and relatively simple engineering method for conducting parametric studies of the matrix growth behavior based on constituent properties.

Bakuckas, J. G., Jr.↗

NASA NTRS1995

Working toward a three-dimensional fatigue closure model for surface cracks

The first reliable elastic fracture mechanics solutions for a surface crack in a plate were obtained by Newman and Raju. The authors, both from the Mechanics of Materials Branch at NASA-Langley, used a highly detailed finite element solution requiring substantial computational resources. Computers have since become more powerful and available; however, many important related problems remain computationally expensive. The problem of three-dimensional fatigue crack growth taking into account plasticity-induced crack closure is one such problem. It is the goal of this research to provide an efficient method to account for three-dimensional crack closure in fatigue. Newman developed a two-dimensional plasticity-induced crack closure model for center cracked specimens. This model requires iterations to determine both the contact solution at each growth step and the extent of the plastic zone at the crack tip. A three-dimensional version of this model would require obtaining these nonlinear variables all along the crack front. This model must be efficient so that repeated calculations can be performed during crack growth simulations. The highly versatile line spring model (LSM) with contact, fatigue, and plasticity will form the basis of the closure model. There are several required additions to past work to address the three-dimensional crack closure problem. Initially, these additions will include (1) an improved LSM to more accurately obtain the crack opening displacement, stress intensity factors, and elastic T-stress near the ends of the surface crack; (2) a method to determine the extent of the plastic zone all along the crack front; (3) a method to determine the contact zone given a perfectly plastic layer of material on the crack surfaces; (4) a method to determine the magnitude of the compressive contact stress; and (5) a way to implement the degree of constraint along the curved crack front. During the summer ASEE program an enhanced LSM was developed. A method similar to that of 'strip synthesis' first introduced by Fujimoto was used. Briefly, the crack opening displacements of 'slices' of the surface crack in a direction parallel to the plate surface are considered in addition to the standard LSM approach that makes use of springs obtained from slices perpendicular to the plate surface. This enhancement is necessary so that an accurate three-dimensional representation of quantities such as contact zone size, plastic zone size, stress intensity factors, T-stress, and crack opening displacement can be determined. By combining results of previous investigations with the LSM, the problem of three-dimensional crack closure will be addressed. In addition to a closure model, the enhanced LSM can be used for many other problems including interacting surface cracks and fatigue crack growth of a through crack with a curved crack front.

Joseph, Paul F.↗

DOE OSTI2020

Scaling Up Energy Efficiency Investment in Emerging Markets - Private Sector Perspectives

Since 2000, electricity demand has flattened and decoupled from Gross Domestic Product (GDP) growth in the Organization for Economic Cooperation and Development (OECD) countries. This trend is anticipated to continue for the next several decades and is largely attributed to the implementation of energy efficiency measures. However, non-OECD countries (emerging markets) have experienced, and are projected to continue experiencing, increasing electricity demands. If the world is to meet the requirements of the Paris Agreement, annual investments in clean energy and energy efficiency need to increase by a factor of six by 2050, compared to 2015. Information presented in this paper is based on qualitative and quantitative data collection and analysis methods to provide an empirical understanding of barriers to private sector clean energy investment including microgrid development, energy efficiency, smart grid development, and utility-scale wind and solar in emerging markets. Through literature review, a survey, and a series of webinar dialogues, USAID and the U.S. Department of Energy National Renewable Energy Laboratory (NREL) solicited input from private sector actors, including developers, project financiers, manufacturers and technical assistance service providers, on the challenges they face to market entry in emerging markets, and their suggestions for improving market competitiveness.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2024

Spin-Dependent Electrochemistry

Recent experiments that use spin polarized electron currents to improve the selectivity and enantioselectivity of electrochemical reactions are described. Electrochemical studies with both chiral working electrodes and with magnetic working electrodes are used to generate spin polarized electron currents. Studies with chiral electrodes, which are formed through the adsorption of chiral molecules and through the growth of chiral oxide films, are shown to improve the efficiency and selectivity of the oxygen evolution reaction and oxygen reduction reaction. These improvements are attributed to the exploitation of spin selection rules (triplet vs. singlet pathways) in the reaction mechanism. Studies with magnetic electrodes, which are formed through ferromagnetic/Au thin film electrodes, are reported to initiate enantioselective chemical transformations, and three different cases are discussed here (enantioresolution of a racemic mixture, enantioselective polymer grafting on electrode surfaces, and the generation of achiral carbon centers). The addition of spin control to the conventional control over charge currents provides an added dimension to electrochemistry and electrosynthesis.

Waldeck, David H↗

DOE OSTI2022

Imaginary admittance and charge transfer resistance correlate to the physiological status of Shewanella oneidensis cultures in real time

Monitoring microbial activity is essential for industrial and environmental applications to proceed efficiently. To minimize time and labor-intensive monitoring, a new paradigm is required for in-situ, real time analysis. Since bioconversion of organics is accomplished by microorganisms through the oxidation of feedstocks linked to the reduction of electron acceptors, microorganisms can be viewed as electrochemical catalysts. In this respect, cell membranes have an electrical potential, which is analogous to a conventional capacitor and linked dynamically to cellular activity. Here, in this study, we demonstrate the use of electrochemical impedance spectrometry (EIS) and cyclic voltammetry (CV) for monitoring microbial metabolic activity in real time, in-situ. The effect of organic electron donors as a function of concentration to the physiological status of strains of Shewanella oneidensis was determined. In this study, the pyomelanin overproducer (S. oneidensis ΔhmgA) and the pyomelanin deficient mutant (S. oneidensis ΔmelA) were chosen due to different surface electrochemical characteristics along with differences in oxygen utilization efficiency. CV, relative admittance, phase shift and permittivity changed with growth status and correlated with electron flow from organic carbon sources and terminal electron acceptor availability. This work offers a novel and inexpensive approach to real time monitoring with the advantage of abundant data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

GrainNN: A neighbor-aware long short-term memory network for predicting microstructure evolution during polycrystalline grain formation

High fidelity simulations of grain formation in alloys are an indispensable tool for process-to-mechanical-properties characterization. Such simulations, however, can be computationally expensive as they require fine spatial and temporal discretizations. Their cost becomes an obstacle to parametric studies and ensemble runs and ultimately makes downstream tasks like optimal control and uncertainty quantification challenging. To enable such downstream tasks, we introduce GrainNN, an efficient and accurate reduced-order model for epitaxial grain growth in additive manufacturing conditions. GrainNN is a sequence-to-sequence long-short-term-memory (LSTM) deep neural network that evolves the dynamics of manually crafted features. Its innovations are (1) an attention mechanism with grain-microstructure-specific transformer architecture; and (2) an overlapping combination of several clones of the network to generalize to grain configurations that are different from those used for training. This design enables GrainNN to predict grain formation for unseen physical parameters, grain number, domain size and geometry. Furthermore, GrainNN not only reconstructs the quantities of interest but also can be pointwise accurate. In our numerical experiments, we use a polycrystalline phase field method to both generate the training data and assess GrainNN. For multiparametric, ensemble simulations with many grains, GrainNN can be orders of magnitude faster than phase field simulations, while delivering 5%–15% pointwise error. Additionally, this speedup includes the cost of the phase field simulations for generating training data.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Plankton energy flows using a global size-structured and trait-based model

Plankton community models are critical tools for understanding the processes that shape marine plankton communities, how plankton communities impact biogeochemical cycles, and the feedbacks between community structure and function. Here, using the flexible Marine Biogeochemistry Library (MARBL), we present the Size-based Plankton ECological TRAits (MARBL-SPECTRA) model, which is designed to represent a diverse plankton community while remaining computationally tractable. MARBL-SPECTRA is composed of nine phytoplankton and six zooplankton size classes represented using allometric scaling relationships for physiological traits and interactions within multiple functional types. MARBL-SPECTRA is embedded within the global ocean component of the Community Earth System Model (CESM) and simulates large-scale, emergent patterns in phytoplankton growth limitation, plankton phenology, plankton generation time, and trophic transfer efficiency. The model qualitatively reproduces observed global patterns of surface nutrients, chlorophyll biomass, net primary production, and the biogeographies of a range of plankton size classes. In addition, the model simulates how predator:prey dynamics and trophic efficiency vary across gradients in total ecosystem productivity. Shorter food chains that export proportionally more carbon from the surface to the ocean interior occur in productive, eutrophic regions, whereas in oligotrophic regions, the food chains are relatively long and export less organic matter from the surface. The union of functional type modeling with size-resolved, trait-based modeling approaches allows MARBL-SPECTRA to capture both large-scale elemental cycles and the structure of planktonic food webs affecting trophic transfer efficiency.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Vertically Self-Oriented, Ultrafast 1D ZnO:Li Nanorods as Scintillators for Thermal Neutron Detection

Detection of special nuclear materials (SNMs) is of vital importance in the prevention of nuclear terrorism and to secure states’ national security. Neutron detection is a particularly useful tool to identify SNM, and neutron-sensitive scintillators have many promising properties, such as ease of use, good time resolution, and high detection efficiency. In this work, we develop highly stable, self-oriented, ultrafast 1D ZnO:Li (and codoped with Al, Ga, and In) nanorods (NRs) as thermal neutron-sensitive scintillators. Lithium-6 has high thermal neutron cross section for the (n, α) reaction in ZnO:Li scintillators which have a vertical nano array design greatly increasing the effective surface area and scintillation efficiency. Cost-effective low-temperature (95 °C) hydrothermal growth is used to obtain highly crystalline ZnO:Li nano scintillators by combining nuclear range data and electron transport mechanisms. Among the studies using low-temperature hydrothermal synthesis and a relatively low annealing temperature (≈350 °C) along with optimized NRs (length ≈ 5–8 μm, mean diameter ≈ 700 nm) for thermal neutron detection, this study reports the shortest scintillation decay time (≈ 470 ps) so far to the best of our knowledge. In conclusion, this nano array scintillator combines the advantages of a low-cost growth technique with environmentally friendly and widely available materials.

Ions↗

DOE OSTI2025

Thiol- and Disulfide-Functionalized Polycyclooctene: Metathesis Polymerization, Degradation, and Reformation

The enormous global production and use of polymers and plastics, combined with slower and less efficient disposal and recycling methods, have led to a worldwide growth in plastic waste. Here, we describe an approach that builds degradability into macromolecular polyolefins through the design of telechelic oligomers with reactive functional groups that enables control over polymer deconstruction and reconstruction. Our work exploits disulfide-containing polymers that have emerged as promising cyclable materials due to their dynamic reversibility (bond formation and cleavage) driven by redox chemistry under mild conditions. Specifically, we describe the synthesis of a telechelic α,ω-dithiopolycyclooctene (PCOE) by ring-opening metathesis polymerization using a dithioacetate chain transfer agent, followed by deprotection to convert the chain-end thioacetates to thiols. This process was studied towards control over the degree of oxidation to yield disulfide-containing PCOE, followed by an evaluation of reductive degradation and oxidative repolymerization. Overall, this approach facilitates the production of disulfide-containing unsaturated polyolefins and the integration of degradable and reformable moieties into soluble, processable, metathesis-derived polymers.

Lee, Kyoungwon↗

DOE OSTI2024

Tailoring-Orientated Deposition of Li 2 S for Extreme Fast-Charging Lithium–Sulfur Batteries

Precipitation/dissolution of insulating Li 2 S has long been recognized as the rate-determining step in lithium-sulfur (Li-S) batteries, which dramatically undermines sulfur utilization at elevated charging rates. Herein, we present an orientated Li 2 S deposition strategy to achieve extreme fast charging (XFC, ≤15 min) through synergistic control of porosity, electronic conductivity, and anchoring sites of electrode substrate. Via magnesiothermic reduction of a zeolitic imidazolate framework, a nitrogen-doped and hierarchical porous carbon with highly graphitic phase was developed. This design effectively reduces interfacial resistance and ensures efficient sequestration of polysulfides during deposition, leading to (110)-preferred growth of Li 2 S nanocrystalline between (002)-dominated graphitic layers. Our approach directs an alternative Li 2 S deposition pathway to the commonly reported lateral growth and 3D thickening growth mode, ameliorating the electrode passivation. Therefore, a Li-S cell capable of charging/discharging at 5C (12 min) while maintaining excellent cycling stability (82% capacity retention) for 1000 cycles is demonstrated. In conclusion, even under high S loading (8.3 mg cm -2 ) and low electrolyte/sulfur ratio (3.8 mL mg -1 ), the sulfur cathode still delivers a high areal capacity of >7 mAh cm -2 for 80 cycles.

25 ENERGY STORAGE↗