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DOE OSTI2024

Nonlinear elasticity with the Shifted Boundary Method

Here, we propose a new unfitted/immersed computational framework for nonlinear solid mechanics, which bypasses the complexities associated with the generation of CAD representations and subsequent body-fitted meshing. This approach allows to speed up the cycle of design and analysis in complex geometry and requires relatively simple computer graphics representations of the surface geometries to be simulated, such as the Standard Tessellation Language (STL format). Complex data structures and integration on cut elements are avoided by means of an approximate boundary representation and a modification (shifting) of the boundary conditions to maintain optimal accuracy. An extensive set of computational experiments in two and three dimensions is included.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Geobacter sulfurreducens Immobilized Boron-Doped Diamond Electrodes for Uranium(VI) in Water Electrochemical Bioremediation

The proliferation of nuclear science and technology has resulted in an increase in nuclear waste containing uranium, posing significant risks to both human and environmental health. This study proposes the use of Geobacter sulfurreducens (G. sulfurreducens) modified boron-doped diamond electrodes to facilitate the reduction and removal of uranium(VI) from aqueous media. The bioremediation process involves electrochemically immobilizing the bacteria on a boron-doped diamond electrode (BDD). The immobilization process requires applying reduction potentials ranging from −0.40 to −0.70 V (vs Ag/AgCl (3 M NaCl)), with −0.60 V identified as the optimal potential for effective bacterial modification. The uranium source is provided by a 2.0 mM uranyl acetate solution in G. sulfurreducens growth medium. Scanning electron microscopy (SEM) reveals a highly uniform layer of uranium on the electrode surface. Energy-dispersive X-ray fluorescence spectroscopy (EDS) and cyclic voltammetry (CV) studies confirm the presence of uranium in the system. Raman spectroscopy and X-ray photoelectron spectroscopy (XPS) successfully elucidate the reduction process of U(VI) to predominantly U(IV) using a bacteria-electrode coupled system. Additionally, a comparison is made with the electrochemical removal of uranyl ions using the electrodeposition method on unmodified BDD. Results demonstrate the presence of three uranium oxide species (UO 2 , UO 3 , and U 3 O 8 ) on the BDD electrode after experimentation, in contrast to the G. sulfurreducens/BDD assembly, which achieves the predominant reduction of UO 2 2+ to UO 2 with a small quantity of UO 3 as the final species. This study highlights the efficient electrochemical removal of uranyl ions from aqueous media at the G. sulfurreducens/BDD interface through chronoamperometry, presenting a promising approach for remediating sites contaminated with radioactive materials. The findings contribute to the exploration of sustainable alternatives for managing nuclear waste, emphasizing the potential of this electrochemical bioremediation strategy.

Bacteria↗

DOE OSTI2018

Surface Electrolyte Interphase Control on Magnetite, Fe3O4, Electrodes: Impact on Electrochemistry

ABSTRACT In battery systems, a solid electrolyte interphase (SEI) is formed through electrolyte reaction on an electrode surface. The formation of SEI can have both positive and negative effects on electrochemistry. The initial formation of the layer protects the electrode from further reactivity, which can improve both shelf and cycle life. However, if the layer continues to form, it can impede charge transfer, which increases cell resistance and limits cycle life. The role of SEI is particularly important when studying conversion electrodes, since phase transformations which unveil new electroactive surfaces during reduction/oxidation can facilitate electrolyte decomposition. This manuscript highlights recent developments in the understanding and control of SEI formation for magnetite (Fe 3 O 4 ) conversion electrodes through electrolyte and electrode modification.

energy storage (including batteries and capacitors↗

DOE OSTI2018

Technology Transfer of the CIGS Technology from the Laboratory to the PVMC: Cooperative Research and Development Final Report, CRADA Number CRD-12-496

PVMC, Inc. (PVMC) and Contractor (NREL) will work together under a CRADA, through a distinct statement of work (SOW) for each project. Each SOW will be negotiated as a modification of the CRADA between PVMC and NREL with a principal investigator (PI) identified by the contractor so as to define specific tasks and funding that reflect the scope and objectives of that project. Projects will focus on extended collaborations with well-defined, long-term goals that are mutually beneficial to PVMC and NREL. Projects under the CRADA may fall within the areas listed below in the summary of research results, calling upon the NREL capabilities and expertise. Modification 1: The first year of the CRADA will involve training PVMC personnel in the deposition process of the layers in the CIGS device based on the evaporation process, characterization methods used to track the properties of the films, device fabrication and integration of the layers into device compatible with the PVMC approach, and use standard ex-situ characterization tools, and standard and novel in-situ metrology tools for process characterization to insure that the unit films in the MDF facility have the properties defined above in the unit step evaluation. The scope of the CRADA statement of work is based on knowledge already in the literature and/or in background published IP. Modification 2: NREL loaned Ocean Optics spectrometer to PVMC. This was returned on 2/15/2018. Modification 3: The work under this CRADA is aimed at understanding several process effects on silicon wafers and/or solar cells. These include: (i) effects of wafering by diamond wire sawing on the surface damage and the strength of wafers, (ii) electronic characteristics of dielectric-Si interfaces, and (iii) characteristics of Si-Al interfaces formed during firing of silicon solar cells.

14 SOLAR ENERGY↗

DOE OSTI2025

Modeling the Interaction of Laser-Produced Proton Beams with Matter

A major goal of this project is to significantly increase our understanding of isochoric heating of matter using laser produced proton beams, and the associated high energy density (HED) and warm dense matter (WDM) regimes generated. This will benefit research fields such as planetary science, fusion energy, plasma physics, and material science. For example, it will enhance our understanding of WDM properties of iron and silica under conditions encountered in planetary interiors and diagnostic components in fusion devices exposed to high fluxes of energetic plasma ions. The project is motivated by recent experiments that irradiated Si targets with proton beams generated by the 20 TW-laser at the SLAC MEC end-station. The HED/WDM states are probed using the 50 fs hard X-rays available in the 3rd harmonic of the LCLS. As part of this project, results from the phase contrast X-ray imaging, which shows the generation of compression waves that produces rear surface spallation, are compared with results from the 3D multi-physics multi- material code, PISALE, that combines Arbitrary Lagrangian-Eulerian (ALE) hydrodynamics with Adaptive Mesh Refinement (AMR). This comparison required modifications to several physics models in the PISALE (Pacific Island Structured-AMR with ALE) code. An important aspect of this project is the continued training of graduate students in HED physics and in conducting complex multiphysics simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1991

Experimental characterization of the perceptron laser rangefinder

In this report, we characterize experimentally a scanning laser rangefinder that employs active sensing to acquire three-dimensional images. We present experimental techniques applicable to a wide variety of laser scanners, and document the results of applying them to a device manufactured by Perceptron. Nominally, the sensor acquires data over a 60 deg x 60 deg field of view in 256 x 256 pixel images at 2 Hz. It digitizes both range and reflectance pixels to 12 bits, providing a maximum range of 40 m and a depth resolution of 1 cm. We present methods and results from experiments to measure geometric parameters including the field of view, angular scanning increments, and minimum sensing distance. We characterize qualitatively problems caused by implementation flaws, including internal reflections and range drift over time, and problems caused by inherent limitations of the rangefinding technology, including sensitivity to ambient light and surface material. We characterize statistically the precision and accuracy of the range measurements. We conclude that the performance of the Perceptron scanner does not compare favorably with the nominal performance, that scanner modifications are required, and that further experimentation must be conducted.

Kweon, I. S.↗

NASA NTRS1992

Computational simulation of surface waviness in graphite/epoxy woven composites due to initial curing

Several models simulating plain weave, graphite/epoxy woven composites are presented, along with the effects that the simultaneous application of pressure and thermal loads have on their surfaces. The surface effects created by moisture absorption are also examined. The computational simulation consisted of using a two-dimensional finite element model for the composite. The properties of the finite element (FE) model are calculated by using the in-house composite mechanics computer code ICAN (Integrated Composite ANalyzer). MSC/NASTRAN is used for the FE analysis which yields the composite's top surface normalized displacements. These results demonstrate the importance of parameters such as the cure temperature (T sub o) and the resin content in the curing process of polymer-matrix composites. The modification of these parameters will help tailor the composite system to the desired requirements and applications.

Sanfeliz, Jose G.↗

NASA NTRS1992

Hypersonic flows as related to the national aerospace plane

The study in the last 6 months has observed a clear evidence that the current two-equation models tend to under-predict flow separation and over-predict heat transfer rate near flow re-attachment regions. In hypersonic flow calculations, these model deficiencies appear to be even more pronounced. This is particularly true in the incapability of the model to predict the extent of the flow separation. Two major deficiencies of the current two-equation models in predicting complex hypersonic flows have been reported, i.e., under-prediction of flow separation and over-prediction of peak heat transfer rate. Two modifications to the k - epsilon model were reported and tested over a range of flows. Based on our limited study, the modified models have been found to give better agreements in both surface pressure and heat transfer predictions for several complex shock-wave boundary-layer interaction flows. However, in order to confirm our observation, more calculations will be performed in the future study covering a wider range of flows and conditions than reported here.

Kussoy, Marvin↗

NASA NTRS1992

Computational simulation of surface waviness in graphite/epoxy woven composites due to initial curing

Sanfeliz, Jose G.↗

NASA NTRS1993

Unsteady panel method for flows with multiple bodies moving along various paths

A potential flow based three-dimensional panel method was modified to treat time dependent conditions in which several submerged bodies can move within the fluid along different trajectories. This modification was accomplished by formulating the momentary solution in an inertial frame-of-reference, attached to the undisturbed stationary fluid. Consequently, the numerical interpretation of the multiple-body, solid-surface boundary condition and the viscous wake rollup was considerably simplified. The unsteady capability of this code was validated by comparing computed and experimental results for a finite wing undergoing pitch oscillations. In order to demonstrate the multicomponent capability, computations were made for two wings following closely intersecting paths (e.g., to avoid mid air collisions) and for a flow field with relative rotation (e.g., helicopter-rotor/fuselage interaction). Results were compared to experimental data when such data was available.

Richason, Thomas F.↗

NASA NTRS1994

Single-engine tail interference model

The data presented in this contribution were obtained in the NASA Langley 16-Foot Transonic Tunnel. Multiple test entries were completed and the results have been completely reported in five NASA reports. The objective of the initial investigation was to determine the effect of empennage (tail) interference on the drag characteristics of an axisymmetric model with a single engine fighter aft-end with convergent divergent nozzles. Two nozzle power settings, dry and maximum afterburning, were investigated. Several empennage arrangements and afterbody modifications were investigated during the initial investigation. Subsequent investigations were used to determine the effects of other model variables including tail incidence, tail span, and nozzle shape. For the final investigation, extensive surface pressure instrumentation was added to the model in order to develop and understanding of the flow interactions associated with afterbody/empennage integration and also to provide data for code validation. Extensive computational analysis has been conducted on the staggered empennage configuration at a Mach number of 0.6 utilizing a three-dimensional Navier Stokes code. Most of the investigations were conducted at Mach numbers from 0.60 to 1.20 and at ratios of jet total pressure to free stream static pressure (nozzle pressure ratio) from 0.1 (jet off) to 8.0. Some angle of attack variation was obtained at jet off conditions.

Bobby L. Berrier↗

NASA NTRS2003

Nucleation Behavior of Oxygen-Acetylene Torch-Produced Diamond Films

A mechanism is presented for the nucleation of diamond in the combustion flame environment. A series of six experiments and two associated simulations provide results from which the mechanism was derived. A substantial portion of the prior literature was reviewed and the data and conclusions from the previous experimenters were found to support the proposed mechanism. The nucleation mechanism builds on the work of previous researchers but presents an approach to nucleation in a detail and direction not fully presented heretofore. This work identifies the gas phase as the controlling environment for the initial formation steps leading to nucleation. The developed mechanism explains some of the difficulty which has been found in producing single crystal epitaxial films. An experiment which modified the initial gas phase precursor using methane and carbon monoxide is presented. Addition of methane into the precursor gases was found to be responsible for pillaring of the films. Atomic force microscopy surface roughness data provides a reasonable look at suppression of nucleation by carbon monoxide. Surface finish data was taken on crystals which were open to the nucleation environment and generally parallel to the substrate surface. The test surfaces were measured as an independent measure of the instantaneous nucleation environent. A gas flow and substrate experiment changed the conditions on the surface of the sample by increasing the gas flow rate while remaining on a consistent point of the atomic constituent diagram, and by changing the carbide potential of the substrate. Two tip modification experiments looked at the behavior of gas phase nucleation by modifying the shape and behavior of the flame plasma in which the diamond nucleation is suspected to occur. Diamond nucleation and growth was additionally examined using a high-velocity oxygen fuel gun and C3H6 as the fuel gas phase precursor with addition of carbon monoxide gas 01 addition of liquid toluene.

Roberts, F. E.↗

NASA NTRS1947

Wind Tunnel Development of Means to Alleviate Buffeting of the North American XP-82 Airplane at High Speeds

This report presents the results of wind-tunnel tests of a 0.22-scale model of the North American XP-82 airplane with several modifications designed to reduce the buffeting of the airplane. The effects of various modifications on the air flow over the model are shown by means of photographs of tufts. The drag, lift, and pitching-moment coefficients of the model with several of the modifications are shown. The result indicate that, by reflexing the trailing edge of the center section of the wing and modifying the radiator air-scoop gutter and the inboard lower-surface wing fillets, the start of buffeting can be delayed from a Mach number of 0.70 to 0.775, and that the diving tendency of the airplane would be eliminated up to a Mach number of 0.80.

Anderson, Joseph L.↗

NASA NTRS2022

Soil Respiration Phenology Improves Modeled Phase of Terrestrial Net Ecosystem Exchange in Northern Hemisphere

In the northern hemisphere, terrestrial ecosystems transition from net sources of CO2 to the atmosphere in winter to net ecosystem carbon sinks during spring. The timing (or phase) of this transition, determined by the balance between ecosystem respiration (RECO) and primary production, is key to estimating the amplitude of the terrestrial carbon sink. We diagnose an apparent phase bias in the RECO and net ecosystem exchange (NEE) seasonal cycles estimated by the Terrestrial Carbon Flux (TCF) model framework and investigate its link to soil respiration mechanisms. Satellite observations of vegetation canopy conditions, surface meteorology, and soil moisture from the NASA SMAP Level 4 Soil Moisture product are used to model a daily carbon budget for a global network of eddy covariance flux towers. Proposed modifications to TCF include: the inhibition of foliar respiration in the light (the Kok effect); a seasonally varying litterfall phenology; an O2 diffusion limitation on heterotrophic respiration (RH); and a vertically resolved soil decomposition model. We find that RECO phase bias can result from bias in RECO magnitude and that mechanisms which reduce northern spring RECO, like substrate and O2 diffusion limitations, can mitigate the phase bias. A vertically resolved soil decomposition model mitigates this bias by temporally segmenting and lagging RH. Applying these model enhancements at Continuous Soil Respiration (COSORE) sites verifies their improvement of RECO and NEE skill compared to in situ observations (up to ∆RMSE = −0.76 g C m−2 d −1 35 ). Ultimately, these mechanisms can improve prior estimates of NEE for atmospheric inversion studies.

Soil respiration↗

DOE OSTI2018

Differential inhibition of mucin-type O-glycosylation (MTOG) induced by peracetyl N-thioglycolyl-d-galactosamine (Ac5GalNTGc) in myeloid cells

Highlights: • Each cell type expresses specific set of glycosyl transferases that result in unique pattern of mucin-type O-glycosylation. • MTOG of CD antigens is regulated depending on the specific cell type, developmental stage, and resting or activated state. • Metabolic incorporation of N-thioglycolyl-d-galactosamine results in cell-type dependent differential inhibition of MTOG. • Myeloid cells metabolize Ac{sub 5}GalNTGc with varying efficiency resulting in differential inhibition of MTOG on CD43. Investigations on the structure and functional roles of glycosylation – an intricate, complex, and dynamic post translational modification on proteins – in biological processes has been a challenging task. Glycan modifications vary depending on the specific cell type, its developmental stage, and resting or activated state. In the present study, we aim to understand the differences between the mucin-type O-glycosylation (MTOG) of two functionally divergent human cell lines, K562 (chronic myeloid leukemia) and U937 (histiocytic lymphoma), having myeloid origins. MTOG is initiated by the addition of N-acetyl-α-d-galactosamine (GalNAc) to Ser/Thr of glycoproteins. We exploited the metabolic glycan engineering (MGE) strategy using the peracetyl N-thioglycolyl-d-galactosamine (Ac{sub 5}GalNTGc), a synthetic GalNAc analogue, to engineer the glycoconjugates. Ac{sub 5}GalNTGc was metabolized and incorporated as N-thioglycolyl-d-galactosamine (GalNTGc) in cell surface glycoproteins in both the cell lines with varying degrees of efficiency. Notably, metabolic incorporation of GalNTGc resulted in differential inhibition of MTOG. It was observed that endogenous glycosylation machinery of K562 is relatively more stringent for selecting GalNTGc whereas U937 is flexible towards this selection. Additionally, we studied how the glycan modifications vary on a given CD antigen in these cell lines. Particularly, MTOG on CD43 was differentially inhibited in K562 and U937 as revealed by glycan-dependent and glycan-independent antibodies. It was observed that the effect of MGE on CD43 was similar to global effects on both cell lines. Consequences of MGE using GalNAc analogues depend on the expression and activity of various glycosyl transferases which determine global glycosylation on cell surface as well as on specific glycoproteins.

60 APPLIED LIFE SCIENCES↗

NASA NTRSDate not supplied

Power Hibernation for Low-Cost Solar Powered Lunar Missions

Because the surface of the Moon drops to cryogenic temperatures, no solar-powered lunar spacecraft have reliably operated beyond a single lunar day. Passive thermal control cannot keep a spacecraft sufficiently warm for the 354-hour lunar night, and active thermal control requires a dramatic increase in battery mass at the expense of payload mass. Extreme conditions seen on the lunar surface suggest a radioisotope solution is ideal, but mass, cost, and schedule are inconsistent with low-cost frequent flight intent of the commercial lunar payload services (CLPS) program. To solve the issue of lunar night survivability without radioisotope sources of power and heat, a lunar power hibernation approach is being developed at the Glenn Research Center, which exploits the ability of common 18650 Lithium-ion cells to passively survive cryogenic freeze-thaw cycles and recover without apparent performance degradation. A key aspect of this hibernation approach is the use of cryogenically operable electronics that safely manage the restoration of the battery thermal environment at lunar dawn. A spacecraft utilizing this strategy will operate into the lunar night on batteries until the state of charge or spacecraft temperature reaches a predetermined threshold. At this point, systems are shut down and the battery is isolated from the main bus to prevent charge or discharge during the freezing and thawing transitions. The system remains passive until lunar dawn, where temperatures can reach as low as 50 K. All electronics must be tolerant to these conditions. When the solar arrays are finally illuminated at lunar dawn, the main bus power electronics will initiate a “cold start” and begin regulating array power. The main bus electronics must be designed to operate at cryogenic temperatures. Array power is used to warm the battery and passive electronics back to operational temperatures. Once batteries are returned to normal temperatures, diagnostics and precharging is performed, as needed, and the battery is reconnected. The overall spacecraft system reboots and returns to nominal operations until lunar night returns. To assure that we can develop batteries suited for many hibernation freeze/thaw cycles, STMD Space Technology Research Grant Program (STRG) has selected two principal investigators that will thoroughly characterize of the Li-ion cell through the freeze-thaw process, investigate degradation mechanisms, and identify potential diagnostic techniques. STMD STRG is also funding an investigation of Gallium-Nitride semiconductors for cryogenic power applications. This work includes physics-informed modeling that considers cryogenic conductivity, carrier mobility, and quantum effects that govern semiconductor performance at cryogenic temperatures. These models can enable engineers to develop accurate cryogenic simulation models that assist in the design of power controls stable over the entire lunar surface temperature range. Meanwhile, Glenn is performing cryogenic testing of batteries and electronics, establishing design guidelines for power applications in extreme cold lunar environment, and potentially developing a hibernation technology demonstrator. The hibernation approach will enable low-cost lunar robotic missions to extend their operating lifetime to many months while minimizing development costs and impact on payload capacity. The need for cryogenically operable electronics is restricted to only main bus power and battery controls, as the majority of systems simply need to passively tolerate cryogenic temperatures. This allows developers to continue to exploit the cost savings of legacy and COTS hardware with minimum modification. For these reasons, lunar power hibernation is a viable near-term solution for lunar night survivability for solar powered commercial landers.

Space power↗

NASA NTRS1997

ENSO Mechanisms

This current leading theory of the El Nino-Southern Oscillation (ENSO) phenomenon involves reflection of equatorial waves on the western ocean boundary to shift the ENSO phase from El Nino to La Nina and vice versa. However, recent satellite altimetry and In situ observations indicate that this theory has several flaws. These include imperfect equatorial wave reflection on the western ocean boundary, a maxima of the simulated coupled wind-sea surface temperature (SST) interaction located too far into the eastern equatorial Pacific, and an excessive role of thermocline displacement on SST in this region. We show that the central equatorial Pacific SST is fundamental in driving the EIVSO ocean-atmosphere coupled system, through the east-west displacement of the eastern edge of the warm pool, perfectly related with ENSO. Within the equatorial wave-guide, the dominance of surface zonal advection in these displacements is demonstrated with four different satellite and in situ data sets and three ocean models. This demonstration is supported by the evidence of a convergence of water masses into the eastern edge of the warm pool, resulting in a well-defined salinity front. All these results lead us to propose a notable modification of the leading delayed-action oscillator theory for the oscillatory nature of ENSO. Simulations with a linearized coupled ocean-atmosphere model result in 3-6 year ENSO-like oscillations, with many Of the variable model parameters found very close to their observed values. This simple model suggests that ocean processes ignored or underestimated in the delayed action oscillator theory, such as zonal current convergence, zonal advection of sea surface temperature and equatorial wave reflection from the eastern-ocean boundary, are fundamental to the development of ENSO, in particular to its manifestations in the central equatorial Pacific.

Picaut, Joel↗

DOE OSTI2022

Results from Laboratory and Field Study of Thin Triple Pane Windows

Heat transfer through windows accounts for a significant percentage of a building’s energy use and adds substantially to the peak cooling load of a home. In recent years, improvements in glass manufacturing have enabled the use of a very thin central pane of glass similar to a cell phone screen to produce a thin triple-pane window, for finished insulated glass units (IGUs) with an overall thickness similar to standard double-pane windows. Because this highly insulating “thin triple” glass product can be incorporated into almost any existing window frame and can be fabricated at a modest added cost, the U.S. Department of Energy sponsored laboratory and field demonstration testing of thin triple-pane windows to validate thermal performance and installation requirements in real-life field settings. Thin triple pane windows were evaluated at the PNNL Lab Homes, a matched pair of manufactured houses located on PNNL’s campus in Richland, Washington and also at 16 different field study sites around the country. The experimental results include a comparison of heating, ventilation, and air-conditioning (HVAC) energy usage, condensation potential, occupant comfort, sound infiltration, and thermal performance. Field study data will be gathered through June of 2022; preliminary results are being shared in this paper. The lab houses are identical except that the reference house had standard double pane windows with assembly U-0.66 and the test house had thin triple pane windows with assembly U-0.19. Across the experimental test days, the daily HVAC savings ranged from 0.2 to 18.7 kWh (3%–18%) for the heating season and from 2.5 to 8.0 kWh (23%–41%) for the cooling season. The higher thermal performance of the thin triple-pane windows also reduced the condensation potential on the interior surface during winter months and provided more even distribution of temperatures throughout the home in comparison to the baseline. In addition to the added thermal performance, the thin triple-pane windows demonstrated significant acoustic benefits, reducing sound infiltration by 8 dB to 10 dB. For the field test portion of the project thin triple pane insulated glass units were produced by two different manufacturers, and then installed without modification into the ½” IGU pockets of the standard double pane frames of four other manufacturers. Field tests performed on existing homes in Washington, Montana, Colorado, and New York compared thin triple pane retrofits to original window conditions (before and after). Field tests at new construction sites in Minnesota, Michigan, and New York compared thin triple pane windows to commercially available solutions such as double pane or traditional triple pane (with a standard-thickness center pane). Field test work is ongoing, but preliminary results appear to follow the sound, surface temperature, and energy improvement results from the Lab Homes comparison. Additionally, reports from builders and installers indicate that thin triples require almost no added time or effort to install and look nearly identical to other windows, indicating the possibility of offering next-level performance with a product that requires very little modification to current production or installation practices, long considered a major barrier to technology uptake in the construction market.

energy efficiency, home retrofit, Windows, window ↗