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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Slot-die-coating operability windows for polymer electrolyte membrane fuel cell cathode catalyst layers

Roll-to-roll (R2R) slot-die coating of polymer electrolyte membrane fuel cell (PEMFC) catalyst layers represents a scalable deposition method for producing 10–20 m 2 ·min -1 of catalyst-coated gas diffusion layers (GDLs). This high-throughput production technique will help lower the cost of PEMFC catalyst layers. The uniformity of the wet layer applied by slot die deposition is affected by process parameters such as substrate speed, vacuum pressure applied at the upstream meniscus, gap between the slot die lips and substrate, ink rheology, and other ink and substrate properties. The set of conditions for producing a defect-free coating with a dilute ink typically requires little to no upstream vacuum pressure, so suitable operating conditions can be found easily through trial and error and operator intuition. However, the higher viscosity of more concentrated inks dramatically shifts the range of settings that result in a homogeneous coating to higher vacuum levels, which are harder to find through hit or miss. A predictive model showing the range of operable conditions decreases material wastage inherent in experimentally searching for suitable parameters. In this study, the defect-free coating parameter window is explored experimentally and theoretically for two concentrations of PEFC cathode inks. Both a full capillary hydrodynamic model and a computationally cheaper viscocapillary model successfully predict the experimentally determined coating window within the experimental and model uncertainty limits for inks with 5.3 wt% and 12.0 wt% solids ink while maintaining the 0.1 mg Pt ·cm -2 Pt areal loading target. Here, this paper demonstrates a viable pathway for meeting the $30/kW net ultimate cost target of the United States Department of Energy (U.S. DOE) Hydrogen Fuel Cells Technologies Office (HFTO). The concentrated ink lowers the thermal energy and capital expenditure (CapEx) budget of the coating process by decreasing the amount of time, energy, and floorspace required for drying the coating.

25 ENERGY STORAGE↗
DOE OSTI2020

Windowed least-squares model reduction for dynamical systems

Here we propose a windowed least-squares (WLS) approach for model reduction of dynamical systems. The proposed approach sequentially minimizes the time-continuous full-order-model residual within a low-dimensional space–time trial subspace over time windows. The approach comprises a generalization of existing model reduction approaches, as particular instances of the methodology recover Galerkin, least-squares Petrov–Galerkin (LSPG), and space–time LSPG projection. In addition, the approach addresses key deficiencies in existing model reduction techniques, e.g., the dependence of LSPG and space–time LSPG projection on the time discretization and the exponential growth in time exhibited by a posteriori error bounds for both Galerkin and LSPG projection. We consider two types of space–time trial subspaces within the proposed approach: one that reduces only the spatial dimension of the full-order model, and one that reduces both the spatial and temporal dimensions of the full-order model. For each type of trial subspace, we consider two different solution techniques: direct (i.e., discretize then optimize) and indirect (i.e., optimize then discretize). Numerical experiments conducted using trial subspaces characterized by spatial dimension reduction demonstrate that the WLS approach can yield more accurate solutions with lower space–time residuals than Galerkin and LSPG projection.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Predicting sintering window during supersolidus liquid phase sintering of steels using feedstock analysis and CALPHAD

Binder jet 3D printing results in carbon pickup from the binder at the inter-particle regions during binder burnout. The excess carbon lowers the solidus temperature of the green part locally during supersolidus liquid phase sintering (SLPS). Currently, thermodynamic calculations rely on the use of bulk powder compositions to predict the sintering window. This can overestimate the sintering temperature since the local increase in carbon on powder surfaces is not accounted for, that can locally lower the solidus temperature during SLPS. Here we show that using the inputs from feedstock and binder analysis, the excess carbon and hence the sintering window for the alloy can be predicted using CALPHAD. We present a case study on applying the proposed approach for pressureless sintering of binder jet additive manufactured (BJAM) of H13 steel via SLPS.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Investigation of CrMnV and CrMnTiV multi principal element alloys thin films for use as exit windows of electron beam accelerators

Here, this study explores CrMnV and CrMnTiV multi principal element alloy (MPEA) films as candidates for electron beam exit windows in industrial, high-power accelerators. Films were deposited via magnetron sputtering on various substrates and exposed to 66 kGy of 10 MeV e-beam irradiation. Structural and mechanical properties were analyzed using FESEM, XRD, and nanoindentation. CrMnTiV films exhibited superior grain uniformity and hardness, regardless of the substrate type. Compared to bulk materials, both MPEA films demonstrated higher hardness and excellent radiation resistance. These results highlight the potential of MPEA films as durable, radiation-tolerant materials for high-performance accelerator exit window applications.

Electron Beam Irradiation↗
DOE OSTI2023

Comparative assessment of different aluminum alloys for neutron beam window applications

The choice of an aluminum alloy window along a neutron beam requires careful consideration depending on the requirements of the instrument end station. The windows should generally be thin to minimize loss of neutrons from the beam due to scattering and absorption but still thick enough to be structurally sound for safety requirements. Further, the microstructure of the material is dependent on the alloy and the preparation method and may introduce scattering artifacts or smearing of the instrument resolution that are not desirable. In this manuscript, SANS and total cross section measurements of several different aluminum alloys will be presented and compared in order to provide some useful insight to engineers working on future neutron instrument design.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Tuning the Double Gyroid Phase Window in Block Copolymers via Polymer Chain Conformation Near the Interface

Block copolymer network morphologies have been proven interesting for applications ranging from mechanical to transport and optical properties. The shape of the polymer chain and its ability to stretch across an interface can be used as handles to target these network morphologies. Here, we show that the double gyroid phase window is broadened when there is a flexible segment near the interface and narrowed when a more constrained segment is placed there by using a series of poly(styrene-b-peptoid) block copolymers in which the polypeptoid block chain conformation can be tuned to adopt either a helical or a coil conformation (NRpe 6 vs Npe 6 ). The double gyroid phase is accessed in both block copolymer series, while the phase boundaries are shifted toward larger polypeptoid volume fractions in the helix-forming PS–(NRpe 6 Nmey) series, due to the more compact helix segment (i.e., the helix segment has the same chain volume as its random coil counterpart but occupies less space). The space-filling difference between the helix and coil segment is further confirmed by the smaller domain spacing of PS–(NRpe 6 Nme 39 ) compared to PS–(Npe 6 Nme 36 ) (13.9 nm vs 14.3 nm) despite the former having a longer polypeptoid block. Furthermore, a broadened double gyroid phase window is accessed in the PS–(Npe 6 Nme y ) series that has a flexible coil segment near the interface. These results demonstrate the possibility of tuning the double gyroid phase in linear block copolymers by chain conformation near the interface alone, highlighting chain conformation as a versatile handle in block copolymer design.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Predicting the Pseudocapacitive Windows for MXene Electrodes with Voltage-Dependent Cluster Expansion Models

MXene transition-metal carbides and nitrides are of growing interest for energy storage applications. These compounds are especially promising for use as pseudocapacitive electrodes due to their ability to convert energy electrochemically at fast rates. Using voltage-dependent cluster expansion models, we predict the charge storage performance of MXene pseudocapacitors for a range of electrode compositions. M 3 C 2 O 2 electrodes based on group-VI transition metals have up to 80% larger areal energy densities than prototypical titanium-based (e.g., Ti 3 C 2 O 2 ) MXene electrodes. We attribute this high pseudocapacitance to the Faradaic voltage windows of group-VI MXene electrodes, which are predicted to be 1.2 to 1.8 times larger than those of titanium-based MXenes. The size of the pseudocapacitive voltage window increases with the range of oxidation states that are accessible to the MXene transition metals. Here, by similar mechanisms, the presence of multiple ions in the solvent (Li + and H + ) leads to sharp changes in the transition-metal oxidation states and can significantly increase the charge capacity of MXene pseudocapacitors.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Vulnerable window of yield strength for swelling-driven fracture of phase-transforming battery materials

Abstract Despite numerous experimental and theoretical investigations of the mechanical behavior of high-capacity Si and Ge Li-ion battery anodes, our basic understanding of swelling-driven fracture in these materials remains limited. Existing theoretical studies have provided insights into elasto-plastic deformations caused by large volume change phase transformations, but have not modeled fracture explicitly beyond Griffith’s criterion. Here, we use a multi-physics phase-field approach to model self-consistently anisotropic phase transformation, elasto-plastic deformation, and crack initiation and propagation during lithiation of Si nanopillars. Our computational results reveal that fracture occurs within a “vulnerable window” inside the two-dimensional parameter space of yield strength and fracture energy and highlight the importance of taking into account the surface localization of plastic deformation to accurately predict the magnitude of tensile stresses at the onset of fracture. They further demonstrate how the increased robustness of hollow nanopillars can be understood as a direct effect of anode geometry on the size of this vulnerable window. Those insights provide an improved theoretical basis for designing next-generation mechanically stable phase-transforming battery materials undergoing large volume changes.

25 ENERGY STORAGE↗
DOE OSTI2021

A patterned phase-changing vanadium dioxide film stacking with VO 2 nanoparticle matrix for high performance energy-efficient smart window applications

A vanadium dioxide (VO 2 ) based solid-to-solid phased changing material has been attracting great interest in smart window applications. However, achieving high solar modulation and high transparency simultaneously in visible light is the major challenge for the practical application of this smart material. To resolve this issue, in this paper, a smart film composed of a VO 2 nanoparticle matrix and a patterned VO 2 film is presented. Furthermore, numerical modeling and electromagnetic simulation are carried out to characterize the performance in terms of solar modulation and luminous transmittance, and a parametric study is carried out to optimize the proposed smart window film. Compared with the VO 2 nanoparticle matrix, the proposed structure can obtain 23% solar modulation and 57% luminous transmittance but with a much thinner thickness, which will significantly reduce the cost and fabrication complexity and extend the environment stability.

42 ENGINEERING↗
DOE OSTI2021

Transparent window 2D IR spectroscopy of proteins

Proteins are complex, heterogeneous macromolecules that exist as ensembles of interconverting states on a complex energy landscape. A complete, molecular-level understanding of their function requires experimental tools to characterize them with high spatial and temporal precision. Infrared (IR) spectroscopy has an inherently fast time scale that can capture all states and their dynamics with, in principle, bond-specific spatial resolution. Two-dimensional (2D) IR methods that provide richer information are becoming more routine but remain challenging to apply to proteins. Spectral congestion typically prevents selective investigation of native vibrations; however, the problem can be overcome by site-specific introduction of amino acid side chains that have vibrational groups with frequencies in the “transparent window” of protein spectra. This Perspective provides an overview of the history and recent progress in the development of transparent window 2D IR of proteins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Erosion and impurity transport for the edge localized mode suppression window in KSTAR

A 3D analysis of plasma wall interactions and global impurity transport for the edge localized mode suppression window in KSTAR during H-Mode discharges has shown that carbon erosion at the divertor plates is a strong function of the resonant magnetic perturbation (n = 1) coil current and relative phasing. The Generalized Perturbation Equilibrium Code was used to determine a realistic initial perturbed plasma equilibrium, and EMC3-EIRENE was used to calculate the resulting scrape-off layer plasma used in this study as a fixed background for the ERO2.0 plasma–material interaction model. The resulting transport leads to deposition of impurities along the targets positioned at the high-field side of the device. An attempt at calculating the resulting effective charge state has demonstrated a similar dependence on the perturbation coil current and has been able to determine a window for the experimentally observed values of Zeff by including contributions of all ionized carbon charge states and deuterium.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Color-neutral, semitransparent organic photovoltaics for power window applications

Semitransparent organic photovoltaic cells (ST-OPVs) are emerging as a solution for solar energy harvesting on building facades, rooftops, and windows. However, the trade-off between power-conversion efficiency (PCE) and the average photopic transmission (APT) in color-neutral devices limits their utility as attractive, power-generating windows. A color-neutral ST-OPV is demonstrated by using a transparent indium tin oxide (ITO) anode along with a narrow energy gap nonfullerene acceptor near-infrared (NIR) absorbing cell and outcoupling (OC) coatings on the exit surface. The device exhibits PCE = 8.1 ± 0.3% and APT = 43.3 ± 1.2% that combine to achieve a light-utilization efficiency of LUE = 3.5 ± 0.1%. Commission Internationale d’eclairage chromaticity coordinates of (0.38, 0.39), a color-rendering index of 86, and a correlated color temperature of 4,143 K are obtained for simulated AM1.5 illumination transmitted through the cell. Using an ultrathin metal anode in place of ITO, we demonstrate a slightly green-tinted ST-OPV with PCE = 10.8 ± 0.5% and APT = 45.7 ± 2.1% yielding LUE = 5.0 ± 0.3% These results indicate that ST-OPVs can combine both efficiency and color neutrality in a single device.

14 SOLAR ENERGY↗
DOE OSTI2020

Windowed Fourier transform and cross-correlation algorithms for molecular tagging velocimetry

In this study, simulated and experimental molecular tagging velocimetry (MTV) images have been analyzed with a technique commonly used to process grid images on surfaces, the windowed Fourier transform with local spectrum analysis (WFT-LSA). A systematic synthetic image study of the modulation transfer function (MTF) and error tendencies of the WFT-LSA was performed and compared with a PIV-style cross-correlation algorithm to see if advanced strategies such as iterative image deformation can improve analysis of gridded images with high noise levels. Testing of single-pass algorithms showed that in typical MTV images, the WFT-LSA yields significantly lower bias errors than cross-correlation (CC) at displacements greater than 1 pixel but slightly higher random error at all displacements and image conditions. Analysis of the MTF shows that CC provided better resolution of spatial fluctuations than the WFT-LSA in many combinations of grid size and interrogation window. Tests of image deformation algorithms showed that the gap in performance between CC and WFT-LSA is maintained even as both methods improve. Additionally, WFT-LSA and CC methods are applied to real MTV experiments in high-speed gas jet flows. A preliminary analysis of phosphorescence lifetime provided by acetone vapor excited at 266 nm is used for assessing the required gas speeds for making MTV application feasible. The application of WFT-LSA to real MTV images demonstrates the ability of the algorithm to handle further real-world effects that could not be considered in the synthetic image analysis, like reduced signal-to-noise ratio and non-uniform intensity of the tagging grid across the image introduced by the actual laser beam energy distribution. With experimental images, CC is more accurate with shear flows but less robust to high noise levels than WFT-LSA, as predicted by the synthetic image analysis.

42 ENGINEERING↗
DOE OSTI2023

Light-quark connected intermediate-window contributions to the muon 𝑔 − 2 hadronic vacuum polarization from lattice QCD

We present a lattice-QCD calculation of the light-quark connected contribution to window observables associated with the leading-order hadronic vacuum polarization contribution to the anomalous magnetic moment of the muon, $a^{HVP,LO}_μ$. We employ the MILC Collaboration’s isospin-symmetric QCD gauge-field ensembles, which contain four flavors of dynamical highly improved staggered quarks with four lattice spacings between $a ≈ 0.06-0.15$ fm and close-to-physical quark masses. We consider several effective-field-theory-based schemes for finite volume and other lattice corrections and combine the results via Bayesian model averaging to obtain robust estimates of the associated systematic uncertainties. After unblinding, our final results for the intermediate and "W2" windows are $a^{U,W}_μ$(conn) = 206.6(1.0) x 10 -10 and $a^{U,W2}_μ$ (conn) = 100.7(3.2) x 10 -10 , respectively

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Update of Euclidean windows of the hadronic vacuum polarization

We compute the standard Euclidean window of the hadronic vacuum polarization using multiple independent blinded analyses. We improve the continuum and infinite-volume extrapolations of the dominant quark-connected light-quark isospin-symmetric contribution and address additional subleading systematic effects from sea-charm quarks and residual chiral-symmetry breaking from first principles. We find 𝑎$^{W}_{μ}$ = 235.56⁢(65)⁢(50) × 10 −10 , which is in 3.8⁢𝜎 tension with the recently published dispersive result of 𝑎$^{W}_{μ}$ =229.4⁢(1.4) × 10 −10 [G. Colangelo, A. X. El-Khadra, M. Hoferichter, A. Keshavarzi, C. Lehner, P. Stoffer, and T. Teubner, Phys. Lett. B 833, 137313 (2022)] and in agreement with other recent lattice determinations. We also provide a result for the standard short-distance window. The results reported here are unchanged compared to our presentation at the Edinburgh workshop of the g-2 Theory Initiative in 2022 [C. Lehner, Talk Presented at the 5th Plenary Meeting of the g-2 Theory Initiative in Edinburgh (2022)].

Lattice QCD↗
DOE OSTI2025

Window Observables for Benchmarking Parton Distribution Functions

Global analysis of collider and fixed-target experimental data and calculations from lattice quantum chromodynamics (QCD) are used to gain complementary information on the structure of hadrons. We propose novel “window observables” that allow for higher precision cross-validation between the different approaches, a critical step for studies that wish to combine the datasets. Global analyses are limited by the kinematic regions accessible to experiment, particularly in a range of Bjorken-𝑥, and lattice QCD calculations also have limitations requiring extrapolations to obtain the parton distributions. We provide two different window observables that can be defined within a region of 𝑥 where extrapolations and interpolations in global analyses remain reliable and where lattice QCD results retain sensitivity and precision.

lattice QCD↗
DOE OSTI2022

Characterization and Optimization of a Spectral Window for Direct Gaseous Uranium Hexafluoride Enrichment Assay Using Laser-Induced Breakdown Spectroscopy

Through a systematic scanning of 235 U and 238 U emission lines between 280 nm and 745 nm, the optimal emission line for direct gaseous uranium hexafluoride (UF 6 ) enrichment assay using laser-induced breakdown spectroscopy (LIBS) was found. Screening for spectral features that are potentially useful for U isotopic analysis was gauged from the magnitude of the 235 U– 238 U isotopic shift and the signal-to-background ratio of the emission line through a parameter termed ΔSBR 235U–238U . The ΔSBR spectrum shows peaks at wavelength positions where there are strong lines with significant 235 U– 238 U shifts. The screening identified 13 spectral-window candidates, which were down selected based on their overall accuracy in predicting the 235 U enrichment of three UF 6 samples of natural (0.720 atom% 235 U) and low-enriched (4.675 atom% and 9.157 atom% 235 U) grades. The U(I) 646.498 nm emission line, with a determined 235 U– 238 U isotopic shift of -17.7 pm, was found to be the optimal spectral window for direct UF 6 enrichment assay. The root mean square error for enrichment assays on the three natural and low-enriched UF 6 samples, with each sample measured in six replicates, was 0.31% in absolute 235 U content. Each measurement comprised LIBS signals accumulated from 3000 laser shots. In conclusion, the analytical bias and precision were better than 0.5% and 0.3%, respectively, in absolute [ 235 U/( 235 U + 238 U)] ratios. Specific for the two low-enriched UF 6 samples, the relative standard deviations from six replicated measurements were around 2%.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Calculation of neutron flux spectra of the VVER-1000 mock-up shielding benchmark with Monte Carlo code MCS utilizing mesh-based weight window

The measurements of neutron spectra compiled inside the NEA-1517/82 package from the Shielding Integral Benchmark Archive and Database (SINBAD) are chosen as benchmark cases to validate the variance reduction technique based on weight window in Monte Carlo Code MCS. A full 3D model for fixed source mode calculation with hexagonal lattice source definition is developed to simulate total of 6 points of measurements at the vicinity of the reactor and the reactor pressure vessel region. A code/code comparison against MCNP6 code is first conducted as verification element for the mesh-based weight window capability in MCS. Finally, the validation results are presented against measurements. The verification against MCNP6 code gives good agreement in addition of the insight to the importance of user understanding to determine proper reference point and reference lower weight bound for scaling which is not required in MCS code due to its capability of automatic scaling. The comparison of neutron spectra between MCS and measurements shows good agreement within 3 standard deviations for all of six detector positions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗