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DOE OSTI2026

Enabling Roll-to-Roll Manufacturing of Bipolar Membranes Using Microscopy

Bipolar membranes (BPMs) used for water treatment suffer from interface instabilities, causing premature failure and decreased performance. Recent research has highlighted the impacts of membrane morphology on mechanical behavior and performance. Improved material performance of thin film membranes requires enhanced transport properties coupled with better control of the mechanical characteristics to avoid premature failure of the film. Thus, morphology is a key parameter when developing and evaluating novel membrane materials. Microscopy offers unique advantages for nano-scale characterization of thin film membrane interfaces and morphologies. In this study, the interface junction of BPMs was evaluated using scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDX). BPMs were fabricated using (1) hot pressing lamination, (2) bench-scale solution casting, and (3) roll-to-roll sequential casting (R2R). Both commercial and in-house fabricated ion exchange membranes were used in the BPMs. The BPMs were comprised of a cation exchange membrane and an anion exchange membrane with a catalyst layer sandwiched in between. Cross sectional SEM and EDX images of the membrane interface junction were compared among the different fabrication techniques and materials. The bench cast catalyst layers were nonuniform compared to the R2R and hot pressed membranes, demonstrating the importance of precise catalyst application conditions. Different thicknesses of the BPMs and individual membrane layers revealed that polymer solution concentration needs to be optimized during manufacturing. This work shows that microscopy can identify key processing parameters that affect BPM interface junction quality at the microscale to enable manufacturing of high performance BPMs.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Advanced Characterization of Unconventional Oil and Gas Reservoirs to Enhance CO 2 Storage Resource Estimates

Presented at Mastering the Subsurface Through Technology Innovation, Partnerships and Collaboration: Carbon Storage and Oil and Natural Gas Technologies Review Meeting, Pittsburgh, Pennsylvania, August 13–16, 2018. Most of the pore space in the Bakken shale is surrounded by organic matter. Organic matter porosity (as determined using FESEM) varies widely within individual samples and between samples from different wells and/or depths. Continued collaboration with U.S. Department of Energy National Energy Technology Laboratory (NETL) to expand the volumetric storage equation for shales by accounting for the efficiency factors associated with CO 2 sorption onto clays and organic matter.

02 PETROLEUM↗

DOE OSTI2018

Exploring Optimization Opportunities in Four-Point Suspension Wind Turbine Drivetrains through Integrated Design Approaches

Drivetrain design has significant influence on the costs of wind power generation. Current industry practices usually approach the drivetrain design with loads and system requirements defined by the turbine manufacturer. Several different manufacturers are contracted to supply individual components from the low-speed shaft to the generator - each receiving separate design specifications from the turbine manufacturer. Increasingly, more integrated approaches to turbine design have shown promise for blades and towers. Yet, integrated drivetrain design is a challenging task owing to the complex physical behavior of the important load-bearing components, namely the main bearings, gearbox, and the generator. In this paper we combine two of NREL's systems engineering design tools, DriveSE and GeneratorSE, to enable a comprehensive system-level drivetrain optimization for the IEAWind reference turbine for land-based applications. We compare a more traditional design with integrated approaches employing decoupled and coupled design optimization. It is demonstrated that both approaches have the potential to realize notable mass savings with opportunities to lower the costs of energy.

17 WIND ENERGY↗

DOE OSTI2019

Multi-Phenotype Association Decomposition: Unraveling Complex Gene-Phenotype Relationships

Various patterns of multi-phenotype associations (MPAs) exist in the results of Genome Wide Association Studies (GWAS) involving different topologies of single nucleotide polymorphism (SNP)-phenotype associations. These can provide interesting information about the different impacts of a gene on closely related phenotypes or disparate phenotypes (pleiotropy). In this work we present MPA Decomposition, a new network-based approach which decomposes the results of a multi-phenotype GWAS study into three bipartite networks, which, when used together, unravel the multi-phenotype signatures of genes on a genome-wide scale. The decomposition involves the construction of a phenotype powerset space, and subsequent mapping of genes into this new space. Clustering of genes in this powerset space groups genes based on their detailed MPA signatures. We show that this method allows us to find multiple different MPA and pleiotropic signatures within individual genes and to classify and cluster genes based on these SNP-phenotype association topologies. We demonstrate the use of this approach on a GWAS analysis of a large population of 882 Populus trichocarpa genotypes using untargeted metabolomics phenotypes. This method should prove invaluable in the interpretation of large GWAS datasets and aid in future synthetic biology efforts designed to optimize phenotypes of interest.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

A Lamination Model for Pressure-Assisted Sintering of Multilayered Porous Structures

This work describes a lamination model for pressure-assisted sintering of thin, multilayered, and porous structures based on the linear viscous constitutive theory of sintering and the classical laminated plate theory of continuum mechanics. A constant out-of-plane normal stress is assumed in the constitutive relation. The lamination relations between the force/moment resultants and the strain/curvature rates are presented. Numerical simulations were performed for a symmetric tri-layer laminate consisting of a 10% gadolinia doped ceria (Ce 0.9 Gd 0.1 O 1.95-δ ) composite structure, where porous layers were adhered to the top and bottom of a denser layer under uniaxially-applied pressures and the sinter forging conditions. The numerical results show that, compared with free sintering, the applied pressure can significantly reduce the sintering time required to achieve given layer thicknesses and porosities. Unlike free sintering, which results in a monotonic decrease of the laminate in-plane dimension, pressure-assisted sintering may produce an in-plane dimension increase or decrease, depending on the applied pressure and sintering time. Finally, the individual layers in the laminate exhibit different stress characteristics under pressure-assisted sintering.

42 ENGINEERING↗

DOE OSTI2016

H 2 Adsorbed Site-to-Site Electronic Delocalization within IRMOF-1: Understanding Non-Negligible Interactions at High Pressure

Isoreticular metal organic frameworks (IRMOFs) have shown high uptake capabilities for storage of H 2 (11.5 wt % at 77 K and 170 bar). A significant literature has employed fragment models and a single adsorbed H 2 to identify adsorption sites within IRMOFs, as well as the necessary adsorbate–adsorbent interactions needed to reach sufficient adsorption enthalpy for practical usage, however at high pressures it remains to be seen if H 2 ···H 2 intermolecular interactions may influence the energetics. This study focuses upon IRMOF-1 (also known as MOF-5), and examines the individual H 2 stabilization energies at different sites using Möller–Plesset perturbation theory and density functional theory alongside chemical models that consist of isolated fragment models and a cubic super cell cluster consisting of both the face- and edge-cube’s of IRMOF-1. Optimization of twenty stable configurations of singly adsorbed H 2 in the super-cell cluster is observed to be essential to obtain energy ordering of the five primary sites consistent with experiment and prior benchmark calculations (α >> β > γ > δ ≈ ε). To examine site-to-site interactions that may occur in the high-pressure regime, 64 co-adsorbed H2 within a super-cell cluster have been studied (a theoretical maximum of all adsorption sites, 14 wt %). There, delocalization and/or charge transfer of electrons is observed from the σ orbitals of the H 2 bound at the γ positions into the σ* orbitals of H 2 bound at the α sites leads to stabilization of the interaction of H 2 at the γ, by 1.4 kJ/mol, respectively (using M06-2X/LANL2DZ). Furthermore, this effect has been confirmed to be charge transfer, and not a manifestation of enhanced dispersion at high loading, through natural bond order (NBO) analysis and by comparisons of the square of off-diagonal NBO Fock matrix elements for both density functionals that account for dispersion interactions and Hartree–Fock calculations that ignore dispersion.

36 MATERIALS SCIENCE↗

DOE OSTI2026

The DREAMS Project: Disentangling the Impact of Halo-to-Halo Variance and Baryonic Feedback on Milky Way Dark Matter Speed Distributions

Dark matter direct detection experiments require information about the local dark matter speed distribution to produce constraints on dark matter candidates, or infer their properties in the event of a discovery. In this paper, we analyze how the uncertainty in the dark matter speed distribution near the Sun is affected by baryonic feedback, halo-to-halo variance, and halo mass. To do so, we harness the statistical power of the new DREAMS cold dark matter simulation suite, which is comprised of 1024 zoom-in Milky Way–mass halos with varied initial conditions as well as cosmological and astrophysical parameters. Applying a normalizing flows emulator to these simulations, we find that the uncertainty in the local dark matter speed distribution is dominated by halo-to-halo variance and, to a lesser extent, uncertainty in host halo mass. Uncertainties in supernova and black hole feedback (from the IllustrisTNG model in this case) are negligible in comparison. Using the DREAMS suite, we present a state-of-the-art prediction for the dark matter speed distribution in the Milky Way. Although the standard halo model is contained within the uncertainty of this prediction, individual galaxies may have distributions that differ from it. Lastly, we apply our DREAMS results to the XENON1T experiment and demonstrate that the astrophysical uncertainties are comparable to the experimental ones, solidifying previous results in the literature obtained with a smaller sample of simulated Milky Way–mass halos.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Development and validation of a supervised machine learning radar Doppler spectra peak-finding algorithm

In many types of clouds, multiple hydrometeor populations can be present at the same time and height. Studying the evolution of these different hydrometeors in a time–height perspective can give valuable information on cloud particle composition and microphysical growth processes. However, as a prerequisite, the number of different hydrometeor types in a certain cloud volume needs to be quantified. This can be accomplished using cloud radar Doppler velocity spectra from profiling cloud radars if the different hydrometeor types have sufficiently different terminal fall velocities to produce individual Doppler spectrum peaks. Here we present a newly developed supervised machine learning radar Doppler spectra peak-finding algorithm (named PEAKO). In this approach, three adjustable parameters (spectrum smoothing span, prominence threshold, and minimum peak width at half-height) are varied to obtain the set of parameters which yields the best agreement of user-classified and machine-marked peaks. The algorithm was developed for Ka-band ARM zenith-pointing radar (KAZR) observations obtained in thick snowfall systems during the Atmospheric Radiation Measurement Program (ARM) mobile facility AMF2 deployment at Hyytiälä, Finland, during the Biogenic Aerosols – Effects on Clouds and Climate (BAECC) field campaign. The performance of PEAKO is evaluated by comparing its results to existing Doppler peak-finding algorithms. The new algorithm consistently identifies Doppler spectra peaks and outperforms other algorithms by reducing noise and increasing temporal and height consistency in detected features. In the future, the PEAKO algorithm will be adapted to other cloud radars and other types of clouds consisting of multiple hydrometeors in the same cloud volume.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

A digital twin solution for floating offshore wind turbines validated using a full-scale prototype

Abstract. In this work, we implement, verify, and validate a physics-based digital twin solution applied to a floating offshore wind turbine. The digital twin is validated using measurement data from the full-scale TetraSpar prototype. We focus on the estimation of the aerodynamic loads, wind speed, and section loads along the tower, with the aim of estimating the fatigue lifetime of the tower. Our digital twin solution integrates (1) a Kalman filter to estimate the structural states based on a linear model of the structure and measurements from the turbine, (2) an aerodynamic estimator, and (3) a physics-based virtual sensing procedure to obtain the loads along the tower. The digital twin relies on a set of measurements that are expected to be available on any existing wind turbine (power, pitch, rotor speed, and tower acceleration) and motion sensors that are likely to be standard measurements for a floating platform (inclinometers and GPS sensors). We explore two different pathways to obtain physics-based models: a suite of dedicated Python tools implemented as part of this work and the OpenFAST linearization feature. In our final version of the digital twin, we use components from both approaches. We perform different numerical experiments to verify the individual models of the digital twin. In this simulation realm, we obtain estimated damage equivalent loads of the tower fore–aft bending moment with an accuracy of approximately 5 % to 10 %. When comparing the digital twin estimations with the measurements from the TetraSpar prototype, the errors increased to 10 %–15 % on average. Overall, the accuracy of the results is promising and demonstrates the possibility of using digital twin solutions to estimate fatigue loads on floating offshore wind turbines. A natural continuation of this work would be to implement the monitoring and diagnostics aspect of the digital twin to inform operation and maintenance decisions. The digital twin solution is provided with examples as part of an open-source repository.

17 WIND ENERGY↗

NASA NTRS1977

Quantitative comparison of combined gas chromatographic/mass spectrometric profiles of complex mixtures

The paper describes a method called HISLIB for automatic quantitative comparison of gas chromatographic/mass spectrometric (GC/MS) results obtained on complex mixtures of organic compounds. The method is based on comparing new mixtures to 'historical' libraries of previous results. Co-occurrence of components is determined by matching relative retention indices (RRIs) and mass spectra after background removal and resolution of overlapping GC components. Internal standards are used to quantify the relative concentrations of components. Applications of HISLIB include validation of analytical procedures to isolate complex mixtures; development of historical libraries which might include complete summaries of all past observations, compilations of controls, or any other selected subset of results; improvement of the quality of existing libraries of mass spectral data; and detection of differences in kind and/or amounts of individual components. Limitations of the method are mentioned along with causes of their occurrence.

Smith, D. H.↗

NASA NTRS1980

The ulcerogenic effect of bile and bile acid in rats during immobilization stress

The effect of different concentrations of oxen bile and individual bile acids or their sodium salts on the gastric mucosa of rats was investigated in combination with immobilization stress. A statistically significant higher frequency of ulcers was only determined in the application of 10% oxen bile. Dosages on 10% sodium glycocholic acid demonstrated strong toxic damage with atonic dilation of the stomach and extensive mucosal bleeding.

Weisener, J.↗

NASA NTRS1982

Wideband Amplifier With Subpicosecond Stability

RF circuit offers high isolation as well as phase stability. For temperature stability, all circuit components are contained in closed metal housing; packages of active circuit elements are embedded in common heat sink. Provisions not only slow down effect of ambient temperature changes on individual devices but also reduce temperature differences across devices so that differential temperature effects vanish.

Reinhardt, V. S.↗

NASA NTRS1980

Supersonic market and economic analyses

Advanced supersonic transport markets of the free world were projected for the period 1985 to 2004. Passenger traffic volume and airplane range and seat capacity requirements were estimated for Mach 2.2 service by international regional area market areas and by city pairs within and between these areas. Market factors and traffic factors examined include variable loads, growth rates, supersonic transport market shares, and schedule frequencies considering the different makeup of passenger traffic and individual city pairs. Direct, indirect, and total operating costs and yield levels were economically analyzed for first class and full fare economy class traffic.

Rochte, L. S.↗

NASA NTRS1982

Catalog of infrared observations

The infrared astronomical data base and its principal data product, the catalog of Infrared Observations (CIO), comprise a machine readable library of infrared (1 microns to 1000 microns astronomical observations. To date, over 1300 journal articles and 10 major survey catalogs are included in this data base, which contains about 55,000 individual observations of about 10,000 different infrared sources. Of these, some 8,000 sources are identifiable with visible objects, and about 2,000 do not have known visible counterparts.

Gezari, D. Y.↗

NASA NTRS1982

A single-frequency multitransmitter telemetry technique

A telemetry technique for a special data collection system being developed for use on general aviation aircraft involved in aeronautical research programs is described. The system consists of a number of sensor-transmitter units at different locations on the aircraft, with individual signal conditioning and logic, which send sampled data signals to a single receiver in the airplane. The transmitters operate independently on the same frequency and are not synchronized to the receiver. The problem of reception of multiple samples simultaneously is treated by discarding such samples. An overlap detection technique for the frequency shift keyed modulation system is described. The amount of predicted data loss due to overlap is presented and compared with results obtained with a circuit implementation; the effects of discarded data on accuracy is discussed.

Carreno, V. A.↗

NASA NTRS1984

Radiative tearing - Magnetic reconnection on a fast thermal-instability time scale

Two energy modification mechanisms which are known to occur in sheared magnetic fields are the tearing and thermal instabilities. These processes can be studied separately with formalisms incorporating just the effective driving mechanism of interest (finite resistivity for the tearing mode and unstable radiation for the thermal mode). A model which includes both effects, and a temperature-dependent resistivity, indicates that modified forms of these two instabilities may coexist for identical physical conditions. When they are isolated computationally, one can show that their limiting growth rates are approximately those of the uncoupled instabilities. The spatial structure and energy content of these two new hybrid processes are then individually examined and are found to differ considerably from those obtained from separate treatments of the driving mechanisms. The faster radiative instability, which has a hydromagnetically scaled growth rate like the condensation mode of the thermal instability, is shown to involve a substantial amount of magnetic field reconnection. This can be partially explained by a large temperature drop (or resistivity rise) at the X-point. The island width of the Coulomb-coupled radiative mode is 30 percent of that produced by a comparable level of the slower tearing instability. In addition, the perturbed magnetic energy in the radiative instability is 5 times that of the perturbed thermal energy, indicating an appreciable modification of the initial magnetic structure.

Steinolfson, R. S.↗

NASA NTRS1986

Computational models for the analysis/design of hypersonic scramjet components. I - Combustor and nozzle models

An overview of computational models developed for the complete, design-oriented analysis of a scramjet propulsion system is provided. The modular approach taken involves the use of different PNS models to analyze the individual propulsion system components. The external compression and internal inlet flowfields are analyzed by the SCRAMP and SCRINT components discussed in Part II of this paper. The combustor is analyzed by the SCORCH code which is based upon SPLITP PNS pressure-split methodology formulated by Dash and Sinha. The nozzle is analyzed by the SCHNOZ code which is based upon SCIPVIS PNS shock-capturing methodology formulated by Dash and Wolf. The current status of these models, previous developments leading to this status, and, progress towards future hybrid and 3D versions are discussed in this paper.

Dash, S. M.↗

NASA NTRS1986

Transformation of two and three-dimensional regions by elliptic systems

Efforts in transferring computational work from the LRC computer to the IRIS Graphics Workstation at MSU are reported and the computation of a conservative solution of a simple hyperbolic equation on an overlapping grid is discussed. Several conclusions concerning computations on overlapping grids are apparent. Problems only occur when there is a major difference in grid spacing on the individual component grids. In the case of hyperbolic equations, it is necessary that both interpolation and extrapolation be applied at the grid boundaries. When interpolated values are used at outflow boundary points, excessive oscillations in the numerical solution may be the result. The same conclusions would be valid for more complicated systems of hyperbolic equations such as the Euler equations for inviscid flow. Some of the solution values would be extrapolated at the overlap boundary, the exact number depending on the number of characteristics pointing out of the overlap region. It is also possible that similar boundary conditions may be needed for some parabolic equations such as high Reynolds number viscous flow equations. Efforts were also expended on the development of three-dimensional conservative interpolation procedures. Finally, the investigation of grid smoothing procedures were initiated during this reporting period. It was decided that the first grid smoothing algorithms will be based on the concepts of variational grid generation.

Mastin, C. W.↗