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At least 613 records · Page 34

Profile negotiation - A concept for integrating airborne and ground-based automation for managing arrival traffic

The profile negotiation process (PNP) concept as applied to the management of arrival traffic within the extended terminal area is presented, focusing on functional issues from the ground-based perspective. The PNP is an interactive process between an aircraft and air traffic control (ATC) which combines airborne and ground-based automation capabilities to determine conflict-free trajectories that are as close to an aircraft's preference as possible. Preliminary results from a real-time simulation study show that the controller teams are able to consistently and effectively negotiate conflict-free vertical profiles with 4D-equipped aircraft. The ability of the airborne 4D flight management system to adapt to ATC specified 4D trajectory constraints is found to be a requirement for successful execution of the PNP. It is recommended that the conventional method of cost index iteration for obtaining the minimum fuel 4D trajectory be supplemented by a method which constrains the profile speeds to those desired by ATC.

Green, Steven M.↗

A Membrane Contactor Enabling Energy-Efficient CO 2 Capture from Point Sources with Deep Eutectic Solvents

We demonstrate a scalable and energy-efficient hollow fiber membrane contactor (HFMC)-based process using a green solvent for CO 2 capture. This process uses a deep eutectic solvent (DES) in an HFMC to provide close interfacial interactions and contact between the DES and CO 2 . This approach overcomes disadvantages associated with direct absorption in DES and could potentially be applied to a variety of solvent-based CO 2 capture methods. Commercial low-cost polymer hollow fiber membranes (e.g., microporous polypropylene) were evaluated for CO 2 capture with reline, a prototypical DES. Single-gas measurements showed that the DES-based polypropylene HFMC can capture and separate CO 2 while rejecting N2. From a mixed gas containing 50 mol % N 2 and 50 mol % CO ν , the DES-based HFMC separated CO 2 with a purity of 96.9 mol %. The effect of several process parameters including solvent flow rate, pressure, and temperature on the CO 2 separation performance was studied. The flux of the recovered CO 2 was 67.43 mmole/m 2 /h at a feed pressure of 4 bar. In situ Fourier transform infrared (FTIR) measurements combined with density functional theory (DFT)-based molecular dynamics simulations revealed that reline absorbs CO 2 by physical absorption without forming a new chemical compound, and CO 2 separation by reline occurs via the pressure swing mechanism. This research provides fundamental insights about physical solvent-based separation processes and a pathway toward practical deployment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Galerkin formulation of path integrals in lattice field theory

We present a mathematical framework for Galerkin formulations of path integrals in lattice field theory. The framework is based on using the degrees of freedom (DOFs) associated to a Galerkin discretization as the fundamental lattice variables. We formulate standard concepts in lattice field theory, such as the partition function and correlation functions, in terms of the DOFs. For example, using continuous finite element spaces, we show that the two-point spatial correlation function can be defined between any two points on the domain (as opposed to at just lattice sites) and furthermore, this two-point function satisfies a weak propagator (or Green’s function) identity, in analogy to the continuum case, as well as a convergence estimate obtained from the standard finite element techniques. Furthermore, this framework leads naturally to higher-order formulations of lattice field theories by considering higher-order finite element spaces for the Galerkin discretization. We consider analytical and numerical examples of scalar field theory to investigate how increasing the order of piecewise polynomial finite element spaces affect the approximation of lattice observables. Finally, we sketch an outline of this Galerkin framework in the context of gauge field theories.

97 MATHEMATICS AND COMPUTING↗

Multistream and Monte Carlo calculations of the sun's aureole

The scattered UV intensities in the sun's aureole are calculated using both a multi-stream scattering method and a Monte Carlo approach. Angular distributions for both Rayleigh and aerosol scatterings are obtained with a realistic atmospheric model. Moderate- and sharply-forward-peaked phase functions of aerosol scattering, corresponding to realistic analytic size distributions, are incorporated. Results from the two independent calculations are in reasonable agreement for a realistic atmospheric model. The results indicate that the scattered UV intensity in the sun's aureole is about four orders smaller than the transmitted intensity while the scattered intensity for pure Rayleigh scattering is only 1-10 millionths times that of the transmitted sun. Based on these intensity ratios, we estimate that the integrated scattered contributions from the aureole to a well-collimated sun photometer of acceptance aperture 2-3 deg are below about 1% of the direct contribution.

Furman, D. R.↗

A Fast Butterfly-Compressed Hadamard–Babich Integrator for High-Frequency Helmholtz Equations in Inhomogeneous Media with Arbitrary Sources

Here we present a butterfly-compressed representation of the Hadamard-Babich (HB) ansatz for the Green's function of the high-frequency Helmholtz equation in smooth inhomogeneous media. For a computational domain discretized with Nv discretization cells, the proposed algorithm first solves and tabulates the phase and HB coefficients via eikonal and transport equations with observation points and point sources located at the Chebyshev nodes using a set of much coarser computation grids, and then butterfly compresses the resulting HB interactions from all Nv cell centers to each other. The overall CPU time and memory requirement scale as O(Nv log2 Nv) for any bounded two-dimensional (2D) domains with arbitrary excitation sources. A direct extension of this scheme to bounded 3D domains yields an O(Nv4/3) CPU complexity, which can be further reduced to quasi-linear complexities with proposed remedies. The scheme can also efficiently handle scattering problems involving inclusions in inhomogeneous media. Although the current construction of our HB integrator does not accommodate caustics, the resulting HB integrator itself can be applied to certain sources, such as concave-shaped sources, to produce caustic effects. Compared to finite-difference frequency domain methods, the proposed HB integrator is free of numerical dispersion and requires fewer discretization points per wavelength. As a result, it can solve wave propagation problems well beyond the capability of existing solvers. Remarkably, the proposed scheme can accurately model wave propagation in 2D domains with 640 wavelengths per direction and in 3D domains with 54 wavelengths per direction on a state-of-the-art supercomputer at Lawrence Berkeley National Laboratory.

Hadamard--Babich ansatz↗

Self-consistency in GWΓ formalism leading to quasiparticle-quasiparticle couplings

Within many-body perturbation theory, Hedin's formalism offers a systematic way to iteratively compute the self-energy Σ of any dynamically correlated interacting system, provided one can evaluate the interaction vertex Γ exactly. This is, however, impossible, in general, for it involves the functional derivative of Σ with respect to the Green's function. Here, we analyze the structure of this derivative, splitting it into four contributions and outlining the type of quasiparticle interactions that each of them generate. Moreover, we show how, in the implementation of self-consistency, the action of these contributions can be classified into two: A quantitative renormalization of previously included interaction terms and the inclusion of qualitatively distinct interaction terms through successive functional derivatives of Γ itself. Implementing this latter type of self-consistency can extend the validity of perturbative approximations based on Hedin's equations toward the high interaction limit, as we show in the example of the Hubbard dimer. Furthermore, our analysis also provides a unifying perspective on the perturbation theory landscape, showing how the T-matrix approach is completely contained in Hedin's formalism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Sap Velocity Data for Urban Trees in Chicago, Illinois (2024-2025)

This dataset contains uncorrected sap velocity measurements using the heat ratio method (HRM) collected using ICT International SFM1x sensors at five urban sites in Chicago, Illinois, as part of the DOE CROCUS project. The data includes continuous monitoring of sap velocity from various tree species, including Maples (Acer spp.): Sugar Maple (Acer saccharum), Silver Maple (Acer saccharinum), and Red Maple (Acer rubrum); Oaks (Quercus spp.): Swamp White Oak (Quercus bicolor); American Elm (Ulmus americana); Honey Locust (Gleditsia triacanthos); Cottonwood (Populus deltoides); and Tree of Heaven (Ailanthus altissima) across Chicago State University (CSU), Northeastern Illinois University (NEIU), Northwestern University (NU), University of Illinois Chicago (UIC), and West Woodlawn "Blacks in Green" (BIG). These include both street trees and those in urban park locations. Measurements were collected at 15-20 minute intervals, depending on the sensor, and transmitted via Long Range Wide Area Network (LoRaWAN) protocols. The wireless data was collected by Sage Network (https://sagecontinuum.org/) nodes. The dataset includes sensor ID, Global Positioning System (GPS) coordinates, tree species (common and scientific names), tree identification number, diameter at breast height (DBH in cm), uncorrected sap velocity measurements (cm/hr) from both inner and outer probes, and Sage Node identifiers so the data can be mapped to related variables such as air quality and wind speed that were collected on the Sage nodes. All timestamps are in local Chicago time (CDT/CST). Quality control flags are provided using a 3-bit binary system indicating physical range violations (< -10 or > 60 cm/hr), step spikes (absolute difference > 36 cm/hr), and stuck sensor conditions (> 10 consecutive identical values). These are raw data, not corrected for wood anatomy or species-specific characteristics. Data is provided in comma separated (CSV) format. This dataset is part of a larger collection of CROCUS environmental monitoring data, including linked datasets from Air Quality Transmitter (AQT) sensors, Weather Transmitter (WXT) sensors, and Multi-Function Research LoRaWAN (MFR) Nodes. DOIs for the supporting data are provided as part of this data package.

Chicago↗

Reproducibility in G 0 W 0 calculations for solids

Ab initio many-body perturbation theory within the GW approximation is a Green's function formalism widely used in the calculation of quasiparticle excitation energies of solids. In what has become an increasingly standard approach, Kohn–Sham eigenenergies, generated from a DFT calculation with a strategically-chosen exchange–correlation functional “starting point”, are used to construct G and W, and then perturbatively corrected by the resultant GW self-energy. In practice, there are several ways to construct the GW self-energy, and these can lead to variations in predicted quasiparticle energies. For example, for ZnO and TiO 2 , the GW fundamental gaps reported in the literature can vary by more than 1 eV depending on the GW code used. In this work, we calculate and analyze GW quasiparticle (QP) energies of these and other systems with three different GW codes: BERKELEYGW, ABINIT and YAMBO. Through a systematic analysis of the GW implementation of these three codes, we identify the primary origin of major discrepancies between codes reported in prior literature to be the different implementations the Coulomb divergence in the Fock exchange term and the frequency integration scheme of the GW self-energy. We then eliminate these discrepancies by using common numerical methods and algorithms, demonstrating that the same quasiparticle energies for a given material can be obtained with different codes, within numerical differences ascribable to the technical details of the underling implementations. This work will be important for users and developers in assessing the precision of future GW applications and methods.

36 MATERIALS SCIENCE↗

BSMV-mediated genome editing exhibits host-specific heritability: germline transmission in barley and somatic edits in Nicotiana benthamiana

Plant RNA virus–mediated guide RNA (gRNA) delivery represents a transformative advance in genome editing technologies. Unlike conventional transformation methods that rely on labor-intensive tissue culture and regeneration for each individual gRNA delivery, viral vectors can rapidly and systemically transmit gRNAs into pre-established Cas-expressing plants, providing an accelerated route for functional genomics and trait discovery directly in planta . However, key design parameters, including subgenomic promoter choice, transcript architecture, and their effects on viral fitness and editing outcomes, remain to be elucidated for most viral platforms. We developed five Barley stripe mosaic virus (BSMV) vectors, each with distinct subgenomic promoter elements to drive single gRNA expression. These were initially evaluated in Cas9-expressing transgenic Nicotiana benthamiana plants targeting the Phytoene desaturase ( PDS ) gene to compare their editing efficiencies. Single gRNAs expressed under the duplicated γb subgenomic promoter or when fused directly to the γb genome achieved the highest mutation frequencies (up to 90% at 60 days post-inoculation), whereas β1- and β2-driven sgRNAs produced delayed and reduced editing. Thus, promoter selection critically determines gRNA accumulation and the efficacy of BSMV-mediated genome editing. The top-performing design was then applied to Cas9-expressing barley ( Hordeum vulgare ) targeting HvCMF7 (conferring green-white variegation) and HvGW2.1 (impacts grain width and weight). BSMV spread systemically throughout barley, inducing somatic and heritable mutations at frequencies up to 100%, with virus-free edited progeny. In contrast, despite robust somatic editing in N. benthamiana, no heritable mutations were detected indicating species-dependent limitations in germline transmission. Our systematic comparison of subgenomic promoter architectures establishes clear design principles for optimizing viral vector–mediated delivery. Promoter choice and transcript structure critically shape editing efficiency and viral stability. The host-specific boundary for germline editing, defined by efficient heritable editing in barley but not N. benthamiana , highlights where BSMV offers advantages and where alternative vectors or hybrid strategies are required, guiding rational platform selection for diverse crop species and applications. Collectively, these findings establish BSMV as a promising next-generation vector for rapid, tissue culture–free, and transformation-independent genome editing in cereals and other recalcitrant monocots.

barley↗

Quantifying the Tangible Value of Public Electric Vehicle Charging Infrastructure

The lack of an extensive public recharging infrastructure is an important barrier to the growth of the plug-in electric vehicle (PEV) market. Because charging infrastructure is likely to be underutilized during the early stages of market development, it is difficult for decision makers to decide how much to invest in public charging stations. Quantifying the value of public charging infrastructure to current and potential future owners of PEVs is essential for estimating the benefits of charging stations to current PEV owners and for predicting the impact on future PEV sales. This paper estimates consumers’ willingness to pay for public charging infrastructure in the context of utility maximization. The objective is to provide a method for valuing charging infrastructure that can inform investment decisions and be used in forecasting models to predict the impacts on future PEV sales. A basic theory of the tangible value of charging infrastructure is developed as a function of PEV type, range, recharging time and existing infrastructure. Existing simulation studies provide functional relationships that quantify the ability of charging infrastructure to enable additional miles of electrified travel. The enabled travel functions are used to predict impact of infrastructure deployment on incremental electrified travel for 1) plug-in hybrids and 2) intra-regional and 3) inter-regional travel by all-electric vehicles. The willingness to pay for increased electrified miles is derived from the willingness to pay for increased electric driving range, based on econometric studies of plug-in vehicle choice. The result is a set of three functions that can be used to calculate the marginal willingness-to-pay for public charging infrastructure as a function of vehicle attributes, existing charging infrastructure, energy prices and annual vehicle travel.

33 ADVANCED PROPULSION SYSTEMS↗

Method for estimating errors for radiation budget based on a scanning radiometer

The conduction of the Earth Radiation Budget Experiment (ERBE) will involve the utilization of three sets of instruments. Each set consists of a nonscanning package and a scanning radiometer. The instruments will fly on the NOAA F and G operational satellites and on a dedicated spacecraft, the Earth Radiation Budget Satellite (ERBS). The ERBS will be in a 57 deg inclination orbit and will precess around the earth to provide sampling of the diurnal cycle of regions between + or - 57 deg latitude. The primary function of the scanning radiometer is to provide measurements for the calculation of the earth-emitted and absorbed solar radiation at the top of the earth-atmosphere system, averaged over 250 x 250 km regions. The present paper is concerned with errors found in these regional averages. Attention is given to details regarding the problem, scene identification probabilities, scene identification error effects, total pixel error, and errors due to regional averaging.

Smith, G. L.↗

Computational Advances in Ionic Liquid Applications for Green Chemistry: A Critical Review of Lignin Processing and Machine Learning Approaches

The valorization and dissolution of lignin using ionic liquids (ILs) is critical for developing sustainable biorefineries and a circular bioeconomy. This review aims to critically assess the current state of computational and machine learning methods for understanding and optimizing IL-based lignin dissolution and valorization processes reported since 2022. The paper examines various computational approaches, from quantum chemistry to machine learning, highlighting their strengths, limitations, and recent advances in predicting and optimizing lignin-IL interactions. Key themes include the challenges in accurately modeling lignin’s complex structure, the development of efficient screening methodologies for ionic liquids to enhance lignin dissolution and valorization processes, and the integration of machine learning with quantum calculations. These computational advances will drive progress in IL-based lignin valorization by providing deeper molecular-level insights and facilitating the rapid screening of novel IL-lignin systems.

09 BIOMASS FUELS↗

Demonstration of Automatically-Generated Adjoint Code for Use in Aerodynamic Shape Optimization

Gradient-based optimization requires accurate derivatives of the objective function and constraints. These gradients may have previously been obtained by manual differentiation of analysis codes, symbolic manipulators, finite-difference approximations, or existing automatic differentiation (AD) tools such as ADIFOR (Automatic Differentiation in FORTRAN). Each of these methods has certain deficiencies, particularly when applied to complex, coupled analyses with many design variables. Recently, a new AD tool called ADJIFOR (Automatic Adjoint Generation in FORTRAN), based upon ADIFOR, was developed and demonstrated. Whereas ADIFOR implements forward-mode (direct) differentiation throughout an analysis program to obtain exact derivatives via the chain rule of calculus, ADJIFOR implements the reverse-mode counterpart of the chain rule to obtain exact adjoint form derivatives from FORTRAN code. Automatically-generated adjoint versions of the widely-used CFL3D computational fluid dynamics (CFD) code and an algebraic wing grid generation code were obtained with just a few hours processing time using the ADJIFOR tool. The codes were verified for accuracy and were shown to compute the exact gradient of the wing lift-to-drag ratio, with respect to any number of shape parameters, in about the time required for 7 to 20 function evaluations. The codes have now been executed on various computers with typical memory and disk space for problems with up to 129 x 65 x 33 grid points, and for hundreds to thousands of independent variables. These adjoint codes are now used in a gradient-based aerodynamic shape optimization problem for a swept, tapered wing. For each design iteration, the optimization package constructs an approximate, linear optimization problem, based upon the current objective function, constraints, and gradient values. The optimizer subroutines are called within a design loop employing the approximate linear problem until an optimum shape is found, the design loop limit is reached, or no further design improvement is possible due to active design variable bounds and/or constraints. The resulting shape parameters are then used by the grid generation code to define a new wing surface and computational grid. The lift-to-drag ratio and its gradient are computed for the new design by the automatically-generated adjoint codes. Several optimization iterations may be required to find an optimum wing shape. Results from two sample cases will be discussed. The reader should note that this work primarily represents a demonstration of use of automatically- generated adjoint code within an aerodynamic shape optimization. As such, little significance is placed upon the actual optimization results, relative to the method for obtaining the results.

Green, Lawrence↗

Lunar Architecture Team - Phase 2 Habitat Volume Estimation: "Caution When Using Analogs"

The lunar surface habitat will serve as the astronauts' home on the moon, providing a pressurized facility for all crew living functions and serving as the primary location for a number of crew work functions. Adequate volume is required for each of these functions in addition to that devoted to housing the habitat systems and crew consumables. The time constraints of the LAT-2 schedule precluded the Habitation Team from conducting a complete "bottoms-up" design of a lunar surface habitation system from which to derive true volumetric requirements. The objective of this analysis was to quickly derive an estimated total pressurized volume and pressurized net habitable volume per crewmember for a lunar surface habitat, using a principled, methodical approach in the absence of a detailed design. Five "heuristic methods" were used: historical spacecraft volumes, human/spacecraft integration standards and design guidance, Earth-based analogs, parametric "sizing" tools, and conceptual point designs. Estimates for total pressurized volume, total habitable volume, and volume per crewmember were derived using these methods. All method were found to provide some basis for volume estimates, but values were highly variable across a wide range, with no obvious convergence of values. Best current assumptions for required crew volume were provided as a range. Results of these analyses and future work are discussed.

Rudisill, Marianne↗

A Multi-Sensor Unoccupied Aerial System Improves Characterization of Vegetation Composition and Canopy Properties in the Arctic Tundra

Changes in vegetation distribution, structure, and function can modify the canopy properties of terrestrial ecosystems, with potential consequences for regional and global climate feedbacks. In the Arctic, climate is warming twice as fast as compared to the global average (known as ‘Arctic amplification’), likely having stronger impacts on arctic tundra vegetation. In order to quantify these changes and assess their impacts on ecosystem structure and function, methods are needed to accurately characterize the canopy properties of tundra vegetation types. However, commonly used ground-based measurements are limited in spatial and temporal coverage, and differentiating low-lying tundra plant species is challenging with coarse-resolution satellite remote sensing. The collection and processing of multi-sensor data from unoccupied aerial systems (UASs) has the potential to fill the gap between ground-based and satellite observations. To address the critical need for such data in the Arctic, we developed a cost-effective multi-sensor UAS (the ‘Osprey’) using off-the-shelf instrumentation. The Osprey simultaneously produces high-resolution optical, thermal, and structural images, as well as collecting point-based hyperspectral measurements, over vegetation canopies. In this paper, we describe the setup and deployment of the Osprey system in the Arctic to a tundra study site located in the Seward Peninsula, Alaska. We present a case study demonstrating the processing and application of Osprey data products for characterizing the key biophysical properties of tundra vegetation canopies. In this study, plant functional types (PFTs) representative of arctic tundra ecosystems were mapped with an overall accuracy of 87.4%. The Osprey image products identified significant differences in canopy-scale greenness, canopy height, and surface temperature among PFTs, with deciduous low to tall shrubs having the lowest canopy temperatures while non-vascular lichens had the warmest. The analysis of our hyperspectral data showed that variation in the fractional cover of deciduous low to tall shrubs was effectively characterized by Osprey reflectance measurements across the range of visible to near-infrared wavelengths. Therefore, the development and deployment of the Osprey UAS, as a state-of-the-art methodology, has the potential to be widely used for characterizing tundra vegetation composition and canopy properties to improve our understanding of ecosystem dynamics in the Arctic, and to address scale issues between ground-based and airborne/satellite observations.

54 ENVIRONMENTAL SCIENCES↗

Characterizing Canopy Openness in Open Forests: Spherical Densiometer and Canopy Photography Are Equivalent but Less Sensitive than Direct Measurements of Solar Radiation

In forest ecosystems, canopy openness affects understory light availability, plant growth, and tree species recruitment, thus shaping future forest composition, structure, and functional diversity. Foresters must correctly and quickly measure canopy openness to meet their management objectives. To help guide the selection of an appropriate method for measuring canopy openness, we compared three common techniques that vary in cost, complexity, and time required for measurements and data processing: smartphone-based hemispherical photography, spherical densiometer measurements, and direct measurements of solar radiation (using AccuPAR ceptometer). We measured canopy openness using these three methods on 28 permanent forest health monitoring plots in pine-oak forests of the Central Pine Barrens of Long Island in New York State. By analysis of variance and regression analyses, we found the three methods (particularly densiometer and hemispherical photographs) yielded broadly equivalent and strongly positively correlated descriptions of canopy openness. The direct measurements of solar radiation seemed to have a greater potential to detect subtle variation in forest understory light. Forest managers may sufficiently characterize canopy openness using quick and cheap methods (e.g., spherical densiometers) and avoid larger costs of devices for direct light measurements (e.g., ceptometers) and the larger data processing times of hemispherical photography.

54 ENVIRONMENTAL SCIENCES↗

Identification of key oxidative intermediates and the function of chromium dopants in PKU-8: catalytic dehydrogenation of sec-alcohols with tert-butylhydroperoxide

Catalytic oxidation using green oxidants has played an important role in modern chemical engineering, however the in-situ generated active groups and the related catalytic mechanism need to be further understood. Combined with several measurements, such as isotopic tracers, molecular probes and cycle voltammetry, chromium ions were observed to undergo a Cr 3+ –Cr 2+ –Cr 3+ redox cycle. Simultaneously, t-BuOO* groups are generated in a large quantity and seem to function as the most critical active species to enhance the dehydrogenation of sec-alcohols when using TBHP as oxidant. DFT calculations give an energetically favorable pathway for TBHP activation, agreeing well with the obtained catalytic results. Here, a reaction scheme was finally proposed to interpret the probable mechanistic process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Monte Carlo error analysis program for near-Mars, finite-burn, orbital transfer maneuvers

A computer program was developed which performs an error analysis of a minimum-fuel, finite-thrust, transfer maneuver between two Keplerian orbits in the vicinity of Mars. The method of analysis is the Monte Carlo approach where each off-nominal initial orbit is targeted to the desired final orbit. The errors in the initial orbit are described by two covariance matrices of state deviations and tracking errors. The function of the program is to relate these errors to the resulting errors in the final orbit. The equations of motion for the transfer trajectory are those of a spacecraft maneuvering with constant thrust and mass-flow rate in the neighborhood of a single body. The thrust vector is allowed to rotate in a plane with a constant pitch rate. The transfer trajectory is characterized by six control parameters and the final orbit is defined, or partially defined, by the desired target parameters. The program is applicable to the deboost maneuver (hyperbola to ellipse), orbital trim maneuver (ellipse to ellipse), fly-by maneuver (hyperbola to hyperbola), escape maneuvers (ellipse to hyperbola), and deorbit maneuver.

Green, R. N.↗