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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Hydrophobe Containing Polypeptoids Complex with Lipids and Induce Fusogenesis of Lipid Vesicles

The hydrophobic effect of alkyl group insertion into phospholipid bilayers is exploited in modifying and modulating vesicle structure. We show that amphiphilic polypeptoids (peptide mimics) with n-decyl side chains, which we term as hydrophobe-containing polypeptoids (HCPs), can insert the alkyl hydrophobes into the membrane bilayer of phospholipid-based vesicles. Such insertion leads to disruption of the liposomes and the formation of HCP–lipid complexes that are colloidally stable in aqueous solution. Interestingly, when these complexes are added to fresh liposomes, remnant uncomplexed hydrophobes (the n-decyl groups) bridge liposomes and fuse them. The fusion leads to the engulfing of liposomes and the formation of multilayered vesicles. The morphology of the liposome system can be changed from stopping fusion and forming clustered vesicles to the continued formation of multilayered liposomes simply by controlling the amount of the HCP–lipid complex added. The entire procedure occurs in aqueous systems without the addition of any other solvents. There are several implications to these observations including the biological relevance of mimicking fusogenic proteins such as the SNARE proteins and the development of new drug delivery technologies to impact delivery to cell organelles.

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

Simulations of three-layer Richtmyer–Meshkov mixing in a shock tube

Here, the Richtmyer–Meshkov instability causes perturbations to grow after a shock traverses a fluid density interface. This increases the mixing rate between fluid from either side of the interface. We use the Flash Eulerian hydrodynamic code to investigate alterations when a thin third layer of intermediate density is placed along the interface, effectively creating two adjacent unstable interfaces. This is a common occurrence in engineering applications where a thin barrier initially separates two materials. We find that the width of the mixing layer is similar or slightly reduced; however, the total mass of mixed material can actually increase. The mixing layer becomes more compact and efficient. However, the normalized mixed mass decreases, meaning that finger entrainment becomes more important than in the simple two-layer case. The effect of adding the central layer appears to decrease when the Atwood number is decreased. The Flash results are also benchmarked against two-layer experimental data from a shock tube at the University of Arizona.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Localizing resonant magnetic perturbations for edge localized mode control in KSTAR

An external 3D magnetic perturbation typically drives a resonant response at the rational surfaces from the core to the edge of tokamak plasmas, due to strong mode coupling and amplification. In this paper, we present a method to isolate the edge from core resonant fields using the ideal perturbed equilibrium code and to design an edge-localized resonant magnetic perturbation (RMP) for effective edge localized mode (ELM) control. A robust feature of the edge-localized RMP is the curtailed response to the field at the low-field-side (LFS) midplane, as opposed to typical RMPs which strongly resonate with the LFS fields. This emphasizes the importance of off-midplane coils to improve ELM control without provoking a large core response that could lead to devastating instabilities. The conceptual design of new ELM control coils based on the edge-localized RMP in KSTAR shows how this new insight can be utilized to enhance the efficiency of our ELM suppression capabilities. Simple window-pane coils matching the edge-localized resonant mode structure substantially expand in the ELM suppression window beyond the existing coil. Further optimization using the flexible optimized coils using space-curves code leads to additional enhancement in the edge-localized control.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

A tale of a tail: a tidally disrupting ultra-diffuse galaxy in the M81 group

ABSTRACT We present the discovery of a giant tidal tail of stars associated with F8D1, the closest known example of an ultra-diffuse galaxy (UDG). F8D1 sits in a region of the sky heavily contaminated by Galactic cirrus and has been poorly studied since its discovery two decades ago. The tidal feature was revealed in a deep map of resolved red giant branch stars constructed using data from our Subaru Hyper Suprime-Cam survey of the M81 Group. It has an average surface brightness of μg ∼ 32 mag arcsec−2 and can be traced for over a degree on the sky (60 kpc at the distance of F8D1) with our current imagery. We revisit the main body properties of F8D1 using deep multiband imagery acquired with MegaCam on CFHT and measure effective radii of 1.7–1.9 kpc, central surface brightnesses of 24.7–25.7 mag, and a stellar mass of ∼7 × 107M⊙. Assuming a symmetric feature on the other side of the galaxy, we calculate that 30–36 per cent of F8D1’s present-day luminosity is contained in the tail. We argue that the most likely origin of F8D1’s disruption is a recent close passage to M81, which would have stripped its gas and quenched its star formation. As the only UDG that has so far been studied to such faint surface brightness depths, the unveiling of F8D1’s tidal disruption is important. It leaves open the possibility that many other UDGs could be the result of similar processes, with the most telling signatures of this lurking below current detection limits.

Žemaitis, Rokas (ORCID:0000000285660491)↗
DOE OSTI2020

A Radiative Transfer Model for Patchy Landscapes Based on Stochastic Radiative Transfer Theory

The availability of global high-resolution land cover maps provides promising a priori knowledge for characterizing subpixel heterogeneity and improving predictions of directional reflectance of coarse-resolution pixels. Due to mutual shadowing and sheltering effects between the adjacent forest and cropland patches, the spectral nonlinear mixing of patchy ecotones is significant, especially when the sun illuminates the ecotone from the forest side with high solar zenith angle. The spectral linear mixture (SLM) approach leads to overestimation of the bidirectional reflectance factor (BRF) in the red band in the principal plane (PP), with a maximum absolute error (MAE) of 0.0063 and a maximum relative error (MRE) of 52.5%, and to underestimation in the near-infrared band in PP with an MAE of 0.0940 and an MRE of 14.5%. In a scenario with randomly distributed boundary orientations, the overestimation of SLM increases with the degree of fragmentation and the view zenith angle. We propose a Radiative Transfer model for patchy ECotones (RTEC). which improves R² from 0.61 to 0.94 in the red band of Landsat-8 directional reflectance at the validation site. The RTEC model provides an efficient and analytical approach for directional reflectance predictions over heterogeneous patchy landscapes at coarse resolution and will be used for biophysical parameter retrievals [e.g., the leaf area index (LAI)] in future applications.

Zeng, Yelu↗
DOE OSTI2023

A Predictive Prescription Framework for Stochastic Unit Commitment Using Boosting Ensemble Learning Algorithms

To take unit commitment (UC) decisions under uncertain load, most existing stochastic optimization (SO) frameworks adopt a generic representation of uncertainty. While load levels that materialize on a particular day are influenced by various covariates (such as the day of the week or temperature), SO frameworks typically disregard such side observations, wasting actionable information that could significantly enhance decision quality. Here, this article proposes a contextual SO (CSO) framework for UC under uncertain load, which can effectively exploit covariate observations in conjunction with a class of machine learning (ML) algorithms to improve the out-of-sample performance of UC decisions. It shows how three ML algorithms, adaptive boosting, gradient boosted trees, and extreme gradient boosting, can be used to this end, constituting the first application of these algorithms in any CSO framework. Using real-world data harvested from the New York ISO grid, we measure the out-of-sample performance of the framework in terms of total operation cost, shed load values, locational marginal prices, and total payments by the loads, against several benchmark methods proposed in the literature. The article has an online companion (Yurdakul et al.), wherein we present additional results and lay out further mathematical formulations used in this work.

42 ENGINEERING↗
DOE OSTI2022

Designing interphases for practical aqueous zinc flow batteries with high power density and high areal capacity

Aqueous zinc flow batteries (AZFBs) with high power density and high areal capacity are attractive, both in terms of cost and safety. A number of fundamental challenges associated with out-of-plane growth and undesirable side reactions on the anode side, as well as sluggish reaction kinetics and active material loss on the cathode side, limit practical deployment of these batteries. We investigated artificial interphases created using a simple electrospray methodology as a strategy for addressing each of these challenges. The effectiveness of the electrospray interphases in full cell zinc-iodine flow batteries was evaluated and reported; it is possible to simultaneously achieve high power density [115 milliwatts per square centimeter (mW/cm 2 )] and high areal capacity [25 milliampere hour per square centimeter (mA·hour/cm 2 )]. Last, we extended it to aqueous zinc-bromine and zinc-vanadium flow batteries of contemporary interest. It is again found that high power density (255 and 260 mW/cm 2 , respectively) and high areal capacity (20 mA·hour/cm 2 ) can be simultaneously achieved in AZFBs.

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

Electrolyte and Cutoff Potential Effects on Cycle Life of Li4Ti5O12/LiNi0.9Mn0.1O2 Batteries for Behind-the-Meter Storage Applications

Behind-the-Meter Storage (BTMS) is a stationary battery energy storage system that is connected to the electrical distribution system on the customer's side of the utility's service meter. BTMS systems are used to store electrical energy from the grid as well as inconstant, renewable energy, such as local solar and wind generation. A successful BTMS system will allow the customer to pair their energy generation and storage to optimize electrical consumption from the grid, improving reliability and minimizing cost. For BTMS applications, batteries must be designed and optimized with different set of criteria from other leading segments of the Li-ion battery market, like transportation, due the system being stationary and proximal to the residential or commercial building it's benefitting. BTMS applications prioritize safety, cost (low/no-critical materials), reliability (20-year calendar life), and durability (10,000 cycle life), while having the ability to (minimally) compromise energy density and rate capability. Lithium titanate (Li4Ti5O12-, LTO) is a promising anode candidate for BTMS applications due to its high safety and capacity retention, while maintaining a reasonable 160 mAhg-1 reversable capacity and composition of relatively abundant materials. (1) Specifically, LTO has a high working voltage which helps to prevent Li dendrite formation, improving safety. Furthermore, LTO also has negligible lithiation-based volume change, leading to less mechanical pulverization, or loss of active material, upon cycling. For the cathode, materials with little or no Co are of high interest due to the high cost and low abundance of Co. LiMn2O4 (LMO) has been paired with LTO for BTMS applications in the past due to its safety, low cost (abundancy), and reasonably high operating voltage. (2-4) However, the low capacity of LMO limits energy density and specific energy. While not the highest priority for BTMS applications, increasing energy density will enable deployment in space constrained BTMS applications and decrease total cost. LiNi0.9Mn0.1O2 (LN-MO) is a recently developed material with promise due to its high operating voltage and relatively low price. (5) However, Ni-rich layered oxides, including LNMO, tend to struggle with capacity retention during high-voltage cycling due to mechanical pulverization, irreversible phase transitions, and unstable solid-electrolyte interphase. The study presented here focuses on building an understanding of how electrolyte solvent and varied cutoff potentials will impact the cycle life of LTO/LN-MO cells. Specifically, a comparison is provided between ethylene carbonate (EC), ethyl methyl carbonate (EMC), fluoroethylene carbonate (FEC), and Gen2 electrolyte solvents with 1M Lithium hexafluorophosphate (LiPF6) salt, cycling to two upper termination potentials, 2.6V and 2.7V. Electrochemical testing and diagnostics (e.g., differential capacity analysis, area specific impedance, constant voltage hold, and rate capability) and post-mortem characterization will be used to understand the aging behavior and failure mechanisms of the 8 cell combinations (four electrolytes and two voltage cutoffs). Cells with FEC electrolyte showed a lower initial capacity compared to cells with Gen2, EMC, and EC cycling at both voltages; however, the cells with FEC showed consistent trends in capacity retention with 2.6V and 2.7V termination potentials, while the cells with the other electrolytes showed much higher rates of capacity loss when cycling to the higher voltage. These results indicate that FEC may play a role in improving durability of high-voltage, Ni-rich electrode systems for use in high-cycle applications, such as BTMS.

electrolyte↗
DOE OSTI2020

Sputtered indium tin oxide as a recombination layer formed on the tunnel oxide/poly-Si passivating contact enabling the potential of efficient monolithic perovskite/Si tandem solar cells

We focus on utilizing sputtered indium tin oxide (ITO) as a recombination layer, having low junction damage to an n-type silicon solar cell with a front-side tunnel oxide passivating electron contact, thereby enabling the development of a high efficiency monolithic perovskite/Si tandem device. High transparency and low resistivity ITO films are deposited via low power DC magnetron sputtering at room temperature onto a front-side thin SiO x /n + poly-Si contact in a complete Cz n-Si cell with a back-side Al 2 O 3 /SiN x passivating boron-diffused p + -emitter on a random pyramid textured surface. We report the cell characteristics before and after ITO sputtering, and we find a cure at 250 °C in air is highly effective at mitigating any sputtering induced damage. Our ITO coated sample resulted in an implied open-circuit voltage (iV oc ) of 684.7 ± 11.3 mV with the total saturation current density of 49.2 ± 14.8 fA/cm 2 , an implied fill factor (iFF) of 81.9 ± 0.8%, and a contact resistivity in the range of 60 mΩ-cm 2 to 90 mΩ-cm 2 . After formation of a local Ag contact to the rear emitter and sputtered ITO film as the front-side contact without grid fingers, the pseudo-efficiency of 20.2 ± 0.5% was obtained with the V oc of 670.4 ± 7 mV and pseudo FF of 77.3 ± 1.3% under simulated one sun with the calculated short-circuit current density of 30.9 mA/cm 2 from the measured external quantum efficiency. Furthermore, our modelling result shows that efficiency exceeding 25% under one sun is practically achievable in perovskite/Si tandem configuration using the ITO recombination layer connecting a perovskite top cell and a poly-Si bottom cell.

14 SOLAR ENERGY↗
DOE OSTI2025

Effects of iron carbide crystal phases and dopants on the conversions of CO 2 into ethylene

The density functional theory method was used to investigate the conversions of CO 2 to ethylene formation on two common iron carbide surfaces: Fe 3 C(0 1 0) and Fe 5 C 2 (1 1 1). Based on the structure relaxation of reaction intermediates and the elementary reaction transition states. We deduced the most competitive reaction pathways for ethylene production. The main CO 2 -to-ethylene routes and the competition of side products, CO and CH 4 , are discussed. Our analyses showed that CO 2 conversion is surface structure sensitive, whereas CH 4 and C2+ hydrocarbon formations depend on the reactivity of native C atoms in the carbides. To modify the intrinsic catalyst performance, mixing dopants in Fe catalysts is an effective strategy. Furthermore, we demonstrate that doping Zn and Zr can alter the local electronic structure and enhance CO 2 adsorption on the catalyst surface.

CO2 hydrogenation↗
DOE OSTI2021

Electrochemical Degradation Modes in Bifacial Silicon Photovoltaic Modules

Motivated by the rapidly rising deployment of bifacial monocrystalline-silicon photovoltaics (PV), we investigate the durability of various PV module packaging configurations with transparent coverings on both the front and rear sides of the module. We use a series of bifacial passivated emitter and rear cell (p-PERC) mini-modules with systematically varying outer cover materials (glass/glass, G/G, or glass/transparent backsheet, G/TB) and encapsulant chemistries (poly [ethylene-co-vinyl acetate], EVA; or polyolefin, POE). We study degradation modes over 1,000 hours of combined damp heat (DH) exposure and high system voltages that can cause potential-induced degradation (PID) under positive, zero, or negative 1,000 V cell-to-frame bias. We analyze the degradation modes using a combination of current-voltage measurements, impedance spectroscopy, external quantum efficiency, and spatially resolved luminescence and thermal imaging. Our results highlight various types of degradation including shunting, enhanced recombination, and series resistance increases, and we use spatially resolved characterization to separately identify the localized effects. We show that multiple PID and moisture-ingress degradation modes severely affect EVA-containing modules, with previously reported PID processes under negative-bias DH and a unique observation of rear-side surface recombination in G/EVA/G modules under positive-bias DH. We observe significantly less degradation in POE-containing modules, where the G/POE/G configuration exhibits minimal degradation under all stress conditions that we employ.

14 SOLAR ENERGY↗
DOE OSTI2024

Probing Interactions between Adsorbed Polymers and γ-Al 2 O 3 Using Solid-State NMR

The interactions between polymers and metal oxide surfaces affect the physical properties of polymer composites and the selectivity of catalysts used for plastic conversion. Gauging the strengths of these interactions and how they depend on adsorption conformations and polymer structure is nevertheless quite challenging. Herein, we evaluate whether a recently introduced dynamic nuclear polarization-based surface-to-atom distance measurement method can be used to gauge the specific interactions between five vinyl polymers and an oxide support (alumina). The adsorption conformations of polymer monolayers were studied using site-specific 13 C{ 27 Al} rotational-echo saturation-pulse double-resonance (RESPDOR) experiments. The method is effective in revealing the average distance between the adsorbed polymer and the surface, as well as the fraction of the monomers that are adsorbed. Polymers that possess larger side chains are more weakly adsorbed, as evidenced by their formation of more numerous loop and tail structures. In conclusion, the measured RESPDOR dephasing data further reveals that polymer adsorption conformations are largely disordered and involve few hydrogen bonding interactions.

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

Nucleobase-Functionalized Poly(alkylthiophene)s: One-Pot, Sequential Direct Arylation Polymerization and Deprotection, and Surface Modification for Oil–Water Separations

Direct arylation polymerization (DArP) has emerged as an environmentally friendly, atom efficient method of synthesizing a variety of conjugated polymers. In this work, we report a one-pot approach consisting of DArP followed by Boc deprotection to synthesize a functional, surface-active adenine-containing poly(alkylthiophene). Careful control over the polymerization temperature enables the one-pot polymerization and deprotection strategy for synthesis, with quantitative (>99%) Boc deprotection achieved in 24 h. This temperature-controlled synthesis method reduces extra purification and isolation steps, which makes the total synthesis more efficient and practical, and allows higher molecular weight polymer to be made. We quantify the hydrogen bonding ability of the resulting adenine-containing polythiophene, T Ad -tT 4h , by 1 H NMR host–guest titration studies and analyze the results with the Benesi–Hildebrand model, yielding an association constant of 18.7 M –1 between alkylated thymine and T Ad -tT 4h . We demonstrate that T Ad -tT 4h robustly modifies the surface of cellulosic filter paper (CFP), and the modified cellulosic filter paper, CFP-T Ad -tT 4h , is an effective oil–water separatory filter with superhydrophobic properties (water contact angle (CA) ~151°). The utility of hydrogen bonding interactions between adenine and cellulose highlights the importance of side-chain engineering for creating functional materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Panel Session 37: The Wants and Needs of Graduating Students and New Engineers: Are Companies Even Listening? (R8.1)

This panel focused on new hires, graduating scientists and engineers having open lines of communication with employers. Considering the projected shortfalls in the workforce, effective communication of wants-and-needs of both the employer and employee must exist. Do these needs differ between industries and/or generations? Currently, it seems that both sides must work harder to achieve this level of communication. With this new approach, both sides can express their wants and needs for a more satisfied workforce and a better work environment. Panelists with presentations: The Future of Work: What Employers Seek From Recent Graduates (Melody Bell); Graduating Students and New Engineers - Wants and Needs - Are Companies Even Listening? (Joseph Aylor); Industry and Education: Bridging the Gap (Arthur Baranovskiy)

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2022

Computational and Experimental Study of Film-Cooling Effectiveness With and Without Downstream Vortex Generators

Downstream vortex generators that involve a pair of rectangular plates arranged in an open V-shape placed just downstream of each film-cooling hole were shown to create flow and vortical structures that entrain lifted film-cooling flow back to the surface and increase its lateral spreading on the surface (GT2020–14317). In this study, computations and measurements were performed to examine the flow mechanisms this vortex generator induces to improve film-cooling effectiveness of a flat plate with the cooling flow emanating from one row of inclined holes. Parameters studied include blowing ratio (BR = 0.75 and 1.0) and temperature ratio (TR = 1.07 and 1.9). Here, the computational study is based on steady Reynolds-averaged Navier–Stokes (RANS) closed by the shear-stress transport (SST) turbulence model with and without conjugate analysis. The experimental study was conducted by using a conjugate heat transfer test rig with a plenum, where cooling flow is introduced. Measurements made include velocity and temperature profiles upstream and downstream of the film-cooling holes as well as the temperature at several locations on the hot and cold sides of the film-cooled flat plate. The computational study was validated by comparing computed results with those from measurements at BR = 0.75 and 1.0 and TR = 1.9. Computational and experimental results are presented to show the effects of BR and TR on the flow structures and how those structures improve the effectiveness of film cooling with and without the downstream vortex generators and with and without conjugate heat transfer.

42 ENGINEERING↗
DOE OSTI2020

Modeling Water Electrolysis in Bipolar Membranes

Bipolar membranes (BPMs) have proven useful in numerous electrochemical energy conversion and storage applications, including fuel cells and electrolyzers. However, water dissociation in bipolar membrane electrolysis cells (BPMECs) is a complicated phenomenon that occurs via several different pathways. In this work, we develop a model based on the Poisson-Nernst-Planck system that includes a multistep water-dissociation mechanism to observe the fundamental processes that contribute to BPMEC performance. The model, which is validated to in-house experimental data, demonstrates that the junction potential is the most significant contributor to the total electrolysis voltage. We investigated the effects of water-dissociation catalysts and found that the optimal catalyst $p{K}_{a}$ depends on how the catalyst is integrated into the BPM (although values near 7 are typically best, in accordance with conventional wisdom). We also simulated the water content across the BPM and found that dry-out is not a significant issue when the membrane is in contact with liquid water on both sides. The species conservation approach taken here leads to a physical understanding of the system without using any fitting parameters.

25 ENERGY STORAGE↗
DOE OSTI2024

Correlation of Processing and Structure in an Ethylene‐Glycol Side‐Chain Modified Polythiophene via Combined X‐Ray Scattering and 4D Scanning Transmission Electron Microscopy

The results of a combined grazing incidence wide-angle X-ray scattering (GIWAXS) and 4D scanning transmission microscopy (4D-STEM) analysis of the effects of thermal processing on poly(3[2-(2-methoxyethoxy)ethoxy]-methylthiophene-2,5-diyl) are reported, a conjugated semiconducting polymer used as the active layer in organic electrochemical transistor devices. GIWAXS provides a measure of overall crystallinity in the film, while 4D-STEM produces real-space maps of the morphology and orientation of individual crystallites along with their spatial extent and distribution. The sensitivity of the 4D-STEM detector allows for collection of electron diffraction patterns at each position in an image scan while limiting the imparted electron dose to below the damage threshold. In conclusion, the effects of heat treatment on the distribution and type of crystallites present in the films is determined.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Ionic Peltier effect in Li-ion electrolytes

The coupled transport of charge and heat provide fundamental insights into the microscopic thermodynamics and kinetics of materials. We describe a sensitive ac differential resistance bridge that enables measurements of the temperature difference on two sides of a coin cell with a resolution of better than 10 μK. We use this temperature difference metrology to determine the ionic Peltier coefficients of symmetric Li-ion electrochemical cells as a function of Li salt concentration, solvent composition, electrode material, and temperature. The Peltier coefficients Π are negative, i.e., heat flows in the direction opposite to the drift of Li ions in the applied electric field, large, –Π > 30 kJ mol –1 , and increase with increasing temperature at T > 300 K. The Peltier coefficient is approximately constant on time scales that span the characteristic time for mass diffusion across the thickness of the electrolyte, suggesting that heat of transport plays a minor role in comparison to the changes in partial molar entropy of Li at the interface between the electrode and electrolyte. Here, our work demonstrates a new platform for studying the non-equilibrium thermodynamics of electrochemical cells and provides a window into the transport properties of electrochemical materials through measurements of temperature differences and heat currents that complement traditional measurements of voltages and charge currents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗