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At least 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Beyond leaf habit: generalities in plant function across 97 tropical dry forest tree species

Leaf habit has been hypothesized to define a linkage between the slow-fast plant economic spectrum and the drought resistance-avoidance trade-off in tropical forests (‘slow-safe vs fast-risky’). However, variation in hydraulic traits as a function of leaf habit has rarely been explored for a large number of species. We sampled leaf and branch functional traits of 97 tropical dry forest tree species from four sites to investigate whether patterns of trait variation varied consistently in relation to leaf habit along the ‘slow-safe vs fast-risky’ trade-off. Leaf habit explained from 0% to 43.69% of individual trait variation. We found that evergreen and semi-deciduous species differed in their location along the multivariate trait ordination when compared to deciduous species. While deciduous species showed consistent trait values, evergreen species trait values varied as a function of the site. Last, trait values varied in relation to the proportion of deciduous species in the plant community. Here We found that leaf habit describes the strategies that define drought avoidance and plant economics in tropical trees. However, leaf habit alone does not explain patterns of trait variation, which suggests quantifying site-specific or species-specific uncertainty in trait variation as the way forward.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

An integrated framework of plant form and function: the belowground perspective

Summary Plant trait variation drives plant function, community composition and ecosystem processes. However, our current understanding of trait variation disproportionately relies on aboveground observations. Here we integrate root traits into the global framework of plant form and function. We developed and tested an overarching conceptual framework that integrates two recently identified root trait gradients with a well‐established aboveground plant trait framework. We confronted our novel framework with published relationships between above‐ and belowground trait analogues and with multivariate analyses of above‐ and belowground traits of 2510 species. Our traits represent the leaf and root conservation gradients (specific leaf area, leaf and root nitrogen concentration, and root tissue density), the root collaboration gradient (root diameter and specific root length) and the plant size gradient (plant height and rooting depth). We found that an integrated, whole‐plant trait space required as much as four axes. The two main axes represented the fast–slow ‘conservation’ gradient on which leaf and fine‐root traits were well aligned, and the ‘collaboration’ gradient in roots. The two additional axes were separate, orthogonal plant size axes for height and rooting depth. This perspective on the multidimensional nature of plant trait variation better encompasses plant function and influence on the surrounding environment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Vapor-phase grafting of functional silanes on atomic layer deposited Al 2 O 3

Fundamental studies are needed to advance our understanding of selective adsorption in aqueous environments and develop more effective sorbents and filters for water treatment. Vapor-phase grafting of functional silanes is an effective method to prepare well-defined surfaces to study selective adsorption. In this investigation, we perform vapor phase grafting of five different silane compounds on aluminum oxide (Al2O3) surfaces prepared by atomic layer deposition. These silane compounds have the general formula L3Si–C3H6–X where the ligand, L, controls the reactivity with the hydroxylated Al2O3 surface and the functional moiety, X, dictates the surface properties of the grafted layer. We study the grafting process using in situ Fourier transform infrared spectroscopy and ex situ x-ray photoelectron spectroscopy measurements, and we characterize the surfaces using scanning electron microscopy, atomic force microscopy, and water contact angle measurements. Here, we found that the structure and density of grafted aminosilanes are influenced by their chemical reactivity and steric constraints around the silicon atom as well as by the nature of the anchoring functional groups. Methyl substituted aminosilanes yielded more hydrophobic surfaces with a higher surface density at higher grafting temperatures. Thiol and nitrile terminated silanes were also studied and compared to the aminosilane terminated surfaces. Uniform monolayer coatings were observed for ethoxy-based silanes, but chlorosilanes exhibited nonuniform coatings as verified by atomic force microscopy measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Multiscale Neural Networks for Approximating Green’s Functions

Neural networks (NNs) have been widely used to solve partial differential equations (PDEs) in the applications of physics, biology, and engineering. One effective approach for solving PDEs with a fixed differential operator is learning Green’s functions. However, Green’s functions are notoriously difficult to learn due to their poor regularity, which typically requires larger NNs and longer training times. In this work, we address these challenges by leveraging multiscale NNs to learn Green’s functions. Through theoretical analysis using multiscale Barron space methods and experimental validation, we show that the multiscale approach significantly reduces the necessary NN size and accelerates training.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

NGEE Arctic Phase 4 Plant Functional Type Framework for Pan-Arctic Vegetation

The NGEE-Arctic research team identified a common set of hierarchical plant functional types (PFTs) for pan-arctic vegetation that we will use across our research activities. Interdisciplinary work within a large team requires agreement regarding levels of functional organization so that knowledge, data, and technologies can be shared and combined effectively. The team has identified plant functional types as a crucial area where such interoperability is needed. PFTs are used to represent plant pools and fluxes within models, summarize observational data, and map vegetation across the landscape. Within each of these applications, varying levels of PFT specificity are needed according to the specific scientific research goal, computational limitations, and data availability. By agreeing on a specific hierarchical framework for grouping variables in our vegetation data, we ensure the resulting research products will be robust, flexible, and scalable. In this document, we lay out the agreed upon PFT framework with definitions and references to existing literature. Table 1 included in the "NGA700_Phase4PFTFramework_about*" file outlines the relationship between NGEE-Arctic Phase 4, Tier 1 PFTs and the PFTs used within prominent arctic literature as well as publications by the NGEE-Arctic team during phases 1-3.This dataset consists of a table detailing a hierarchical PFT framework that spans 4 tiers with the most granular PFTs listed in tier 1 and the most general PFTs in tier 4. The PFTs within each tier has a single column in the dataset where the PFTs are named and a separate column where the characteristics used to define that PFT are listed. Grey fill of the cells is used to indicate where a given PFT starts to “lose” tier 1 details as you look from left to right. Note the excel file has merged cells to indicate grouping of PFTs across the Tiers- it will not translate into a delimited filetype (.csv, .txt, etc) without modification thus the hierarchical PFT framework table is available in three different file formats: 1) NGA700_Phase4PTS.xlsx – maintains the merged cells and grey fill; 2) NGA700_Phase4PTS.csv – merged cells are split, and grey fill is removed; 3) NGA700_Phase4PTS.pdf – image of the table with merged cells and grey fill. Metadata document included as a *.pdf and file-level metadata and data dictionary as *.csv files.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Composites of functional polymers: Toward physical intelligence using flexible and soft materials

Abstract Materials that can assist with perception and responsivity of an engineered machine are said to promote physical intelligence. Physical intelligence may be important for flexible and soft materials that will be used in applications like soft robotics, wearable computers, and healthcare. These applications require stimuli responsivity, sensing, and actuation that allow a machine to perceive and react to its environment. The development of materials that exhibit some form of physical intelligence has relied on functional polymers and composites that contain these polymers. This review will focus on composites of functional polymers that display physical intelligence by assisting with perception, responsivity, or by off-loading computation. Composites of liquid crystal elastomers, shape-memory polymers, hydrogels, self-healing materials, and transient materials and their functionalities are examined with a viewpoint that considers physical intelligence. Graphic Abstract

36 MATERIALS SCIENCE↗
DOE OSTI2025

Highly functional microspheres facilitating Diels–Alder network formation

Introducing particles to dynamic covalent networks is a common approach to improve their performance. However, network formation can be impacted by their size and functionality. The influence can be predicted by common theories for small molecular precursors, but it is unclear whether they are applicable to precursors bearing numerous reactive groups and micrometer-scale dimensions. In this work, an experimental study was undertaken using dynamic covalent networks formed by the Diels–Alder reaction between furan and maleimide groups. The gelation behavior of the Diels–Alder networks was studied using rheometry to track their network formation at 40 °C with varying maleimide-functionalized microsphere loading. The highly functional microspheres can interact with the furan precursor, aiding in the formation of the Diels–Alder networks. A 5 wt% microsphere sample can reduce the gelation time by 23% and facilitate network formation in an unbalanced stoichiometry near the critical composition to form a percolating network.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Machine Learning Enhanced Development of Functionally Graded Materials Enabled by Directed Energy Deposition

The ability to functionally grade materials provides designers with a new dimension of design flexibility that can be leveraged to improve functionality, reduce cost, or improve efficiency in a wide range of applications. This program was specifically focused on FGMs for hot and harsh gas path environments. These environments are common for the hot sections of jet engines and gas turbines, where parts undergo high temperature and mechanical loads in a corrosive environment. Expensive high γ' strengthened Ni superalloys such as René 41 (R41) and René 80 (R80) are generally used exclusively for a whole part, although only a section of the part demands such superalloys. To minimize cost, low/no γ' strengthened Ni superalloys such as Inconel 718 (INC718) could be used at less-demanding sections of the part could be welded to the high γ' strengthened Ni superalloys. However, the welding typically is a failure site due to the low durability at the welding interface. Functionally grading provides a welding alternative that can allow cost reduction without sacrificing mechanical performance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

What is the gradient of a scalar function defined on a subspace of square matrices?

We illustrate a technique to calculate the gradient of scalar functions that are defined on any arbitrary matrix subspace. It generalizes our earlier work titled “What is the gradient of a scalar function of a symmetric matrix ?”(Indian Journal of Pure and Applied Mathematics (2022), doi:10.1007/s13226-022-00313-x), in which we considered the special case of the subspace of symmetric matrices. Extant methods to calculate the gradient in such cases have an inherent flaw which leads to spurious results that populate several publications, as well as respected textbooks and handbooks on matrix calculus. We examine these sources and results in a rigorous and concrete mathematical setting of a finite-dimensional inner-product space and discover the inherent flaw and also a remedy. We demonstrate two ways to calculate the derivative/gradient and second derivative for scalar functions of matrices defined over an arbitrary matrix subspace; the first method is by considering any (differentiable) extension to the space of square matrices and projection of its gradient onto the given subspace. The second method utilizes an ordered basis and computes each component of the gradient through evaluation of the directional derivative. All the ideas presented are illustrated by non-trivial examples, namely, considering the subspace of 3 × 3 circulant and Toeplitz matrices and presenting the results of gradient-descent with both the spurious and correct gradients. Moreover, our bibliography makes it clear that a rigorous approach to matrix calculus is not common in practice, and our presentation of matrix calculus in the language of inner-product spaces will be significant and meaningful for applied mathematicians, engineers and researchers working in inter-disciplinary fields to avoid the conceptual pitfalls that exist.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

The Electromagnetic Design of the X/Y line Combined Function Magnets

This technical note presents the electromagnetic design of the combined function magnets which make up the FODO array of the X-line or Y-line magnets of the AGS to RHIC (AtR) transfer line. Prior to the presentation of the electromagnetic design of the combined function magnets a brief section will be devoted to familiarize the reader with the use of the combined function magnets which make up the elements of the X and Y lines of the AtR line.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Computational methods based on density functional theory for reactions and processes involving electronic spin (Final Technical Report)

This award supports one post-doctoral researcher for 1.5 years. Publications that acknowledge this grant: Refs. 1–14. Refs. 3,10,12 assess current methodology for the evaluation of magnetic exchange couplings in transition metal complexes. In particular, Ref. 10 validates the use of an approximate (non-iterative) Green’s function approach for the calculation of magnetic exchange couplings and will be the foundation for Thrust 2 in this proposal. Refs. 3 and 12 focus on widely used density functional approaches based on the standard energy differences methodology for the particular case of oxo-bridged Fe(III) complexes. Refs. 2,4–7,11 apply current methodologies to problems of practical interest in molecular magnetism. Ref. 13 presents a methodology to explicitly simulate the dynamics of open quantum systems within density functional theory (DFT) calculations based on the Liouville-von Neumann equation of motion for quantum systems driven out-of-equilibrium. Ref. 8 uses non-collinear spin DFT to explain the mechanical behavior of magnetic mono-atomic Pt wires produced in break-junction experiments in the presence of a magnetic field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Bismuth-Functionalized Silica Aerogels for Iodine Capture

The U.S. Department of Energy is looking into alternative sorbents for the removal of radioiodine from off-gas streams in a used nuclear fuel reprocessing plant. One class of sorbents considered are bismuth-functionalized silica aerogels which offer an efficient capture of iodine from off-gas streams and are environmentally friendly and lower cost when compared to silver-functionalized sorbents. Two types of bismuth-functionalized silica aerogels were successfully manufactured using a hierarchical synthesis approach:1) The Bi 3+ -aerogel with bismuth oxide nitrate hydroxide hydrate particles and 2) Bi-aerogel with bismuth metal and bismuth sulfide nanoparticles. Both sorbents exhibited high sorption capacity for iodine. However, presence of particles of different composition, size, and distribution on aerogel support resulted in different iodine loadings. The Bi 3+ -aerogel exhibited sorption capacity of 289 mg/g. In contrast, Bi-aerogel exhibited more that 20% higher sorption capacity. The heat-treatment of Bi 3+ -aerogel at 225? under hydrogen atmosphere increased iodine loading capacity to 351 mg/g.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Call for Participation: Collaborative Benchmarking of Functional-Structural Root Architecture Models. The Case of Root Water Uptake

Three-dimensional models of root growth, architecture and function are becoming important tools that aid the design of agricultural management schemes and the selection of beneficial root traits. However, while benchmarking is common in many disciplines that use numerical models, such as natural and engineering sciences, functional-structural root architecture models have never been systematically compared. The following reasons might induce disagreement between the simulation results of different models: different representation of root growth, sink term of root water and solute uptake and representation of the rhizosphere. Presently, the extent of discrepancies is unknown, and a framework for quantitatively comparing functional-structural root architecture models is required. We propose, in a first step, to define benchmarking scenarios that test individual components of complex models: root architecture, water flow in soil and water flow in roots. While the latter two will focus mainly on comparing numerical aspects, the root architectural models have to be compared at a conceptual level as they generally differ in process representation. Therefore, defining common inputs that allow recreating reference root systems in all models will be a key challenge. In a second step, benchmarking scenarios for the coupled problems are defined. We expect that the results of step 1 will enable us to better interpret differences found in step 2. This benchmarking will result in a better understanding of the different models and contribute toward improving them. Improved models will allow us to simulate various scenarios with greater confidence and avoid bugs, numerical errors or conceptual misunderstandings. This work will set a standard for future model development.

Plant Sciences↗
DOE OSTI2020

Modeling Functional Organic Chemistry in Arctic Rivers: An Idealized Siberian System

Rivers of the Arctic will become ever more important for the global climate, since they carry a majority of continental dissolved organic carbon flux into the rapidly changing polar ocean. Aqueous organics comprise a wide array of functional groups, several of which are likely to impact coastal and open water biophysical properties. Light attenuation, interfacial films, aerosol formation, gas release and momentum exchange can all be cited. We performed Lagrangian kinetic modeling for the evolution of riverine organic chemistry as the molecules in question make their way from the highlands to Arctic outlets. Classes as diverse as the proteins, sugars, lipids, re-condensates, humics, bio-tracers and small volatiles are all included. Our reduced framework constitutes an idealized northward flow driving a major hydrological discharge rate and primarily representing the Russian Lena. Mountainous, high solute and tundra sources are all simulated, and they meet up at several points between soil and delta process reactors. Turnover rates are parameterized beginning with extrapolated coastal values imposed along a limited tributary network, with connections between different terrestrial sub-ecologies. Temporal variation of our total dissolved matter most closely resembles the observations when we focus on the restricted removal and low initial carbon loads, suggesting relatively slow transformation along the water course. Thus, channel combinations and mixing must play a dominant role. Nevertheless, microbial and photochemical losses help determine the final concentrations for most species. Chemical evolution is distinct for the various functionalities, with special contributions from pre- and post-reactivity in soil and delta waters. Several functions are combined linearly to represent the collective chromophoric dissolved matter, characterized here by its absorption. Tributaries carry the signature of lignin phenols to segregate tundra versus taiga sources, and special attention is paid to the early then marine behaviors of low molecular weight volatiles. Heteropolycondensates comprise the largest percentage of reactive carbon in our simulations due to recombination/accumulation, and they tend to be preeminent at the mouth. Outlet concentrations of individual structures such as amino acids and absorbers lie above threshold values for biophysical influence, on the monolayer and light attenuation. The extent of coastal spreading is examined through targeted regional box modeling, relying on salinity and color for calibration. In some cases, plumes reach the scale of peripheral arctic seas, and amplification is expected during upcoming decades. Conclusions are mapped from the Lena to other boreal discharges, and future research questions are outlined regarding the bonding type versus mass release as permafrost degrades. Dynamic aqueous organic coupling is recommended for polar system models, from headwaters to coastal diluent.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Emissions Merit Function for Evaluating Multifunctional Catalyst Beds

With emission control regulations getting stricter, multi-functional catalyst systems are increasingly important for low-temperature operation. We investigate a wide range of multi-component catalyst systems, as physical mixtures and in multi-bed configurations, while varying the ratios of hydrocarbon traps (HCT), passive NOx adsorbers (PNAs), and diesel oxidation catalysts (DOC). Using industrially guided protocols, we measured the ability of these complex catalyst systems to reduce emissions during a 40 °C/min temperature ramp to simulate cold-start conditions. Using a temperature boundary condition of 250 °C, the average conversion was calculated for each regulated pollutant: CO, NOx, and total hydrocarbons (THC). An emissions merit function was developed to evaluate the effectiveness of each system relative to the relevant emission standards and expected engine exhaust concentrations. This merit function identified that a 1:1:4 ratio of PNA:HCT:DOC was the most effective emissions reduction configuration and had similar reactivity as a physical mixture or as a PNA→HCT→DOC multi-bed reactor.

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

The Influence of Printing Parameters, Post-Processing, and Testing Conditions on the Properties of Binder Jetting Additive Manufactured Functional Ceramics

This article outlines the current state-of-the-art binder jetting (BJT) additive manufacturing of functional ceramics. The impact of printing parameters, heat treatment processing, and testing conditions on the observed performance of these ceramics is discussed. Additionally, this article discusses the impact of physical properties such as density and mechanical strength on the overall performance of these functional ceramics. Although printing parameters and initial feedstock are crucial for the printability of the desired parts, other factors play an important role in the performance of the ceramic. Thermal post-processing is crucial to achieve optimized functional properties, while the testing orientation is key to obtaining the maximum output from the part. Finally, future research directions for this field are also discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Tunable Work Functions in Plasmonic Metals

We have studied the effect of BITh molecules on the work functions of Ag and Au, with and without quartz lamp illumination. Silver and gold films coated with BITh molecules were fabricated and studied in reflection and Kelvin Probe experiments. The deposition of BITh films on Ag and Au reduced their work functions (in agreement with our recent study, wherein a similar reduction was caused by the deposition of a PMMA polymer). Illumination of the BITh-coated samples with a quartz lamp caused reductions in work functions by several tens of meV, which (almost) returned to their original values when the light was turned off. The characteristic time of this process (~15 min) was much shorter than that of photopolymerization (~180 min), suggesting that these two phenomena are nearly independent of each other. The effects of the Au substrates were qualitatively similar to those of the Ag substrates. Our findings pave the way to fundamental studies and applications of light–matter interactions.

BITh↗
DOE OSTI2022

Addressing Function Allocation for the Digital Transformation of Existing Nuclear Power Plants

The existing nuclear power plants in the United States (U.S.) have a vital role in providing carbon-free electricity. For the existing nuclear power plant fleet to remain economically viable, a significant digital transformation that fundamentally changes the way in which these plants are operated, maintained, and supported ought to be seriously considered. Safe and reliable automation is needed. This work describes important considerations and challenges that come with function allocation for the adoption of new automation at existing nuclear power plants. Specifically, this work reviews the state-of-the-art in function allocation guidance and highlights how it can be used within the U.S. nuclear industry. An objective of this work is to present the current challenges and proposed approaches to the human factors community to support future research and development that ultimately supports the effective use of function allocation in the digital transformation of existing nuclear power plants.

99 GENERAL AND MISCELLANEOUS↗