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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 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Self-Assembled Monolayer Patterning for PolySi/SiO2 Passivated Contacts

We utilize hexamethyldisilazane (HMDS) based self assembled monolayers to pattern polysilicon (polySi) passivated contacts. We find process conditions that allow for etching front side n/polySi between fingers; thereby increasing Jsc. Importantly, the Voc does not degrade indicating the additional process steps do not introduce defects or impurities. HMDS layers remain on the surface for metallization without detriment to transport.

degradation↗
DOE OSTI2026

Effect of Oil Viscosity and Impact of Ionic Liquid Additive on Electrically Induced Pitting in Rolling Contact

Electrically induced bearing damage (EIBD) is a growing concern in electric drivetrains, where electrical discharge currents generate localized pitting that accelerates wear and premature failure. While ionic liquids (ILs) have shown promise as lubricant additives due to their natural physical adsorption, strong capabilities of tribofilm formation, and high molecular tunability, their role in mitigating EIBD is little known. This gap is especially evident because lubricant viscosity and film thickness affect discharge behavior, and additive performance in these regimes has not been well explored. In this study, tribological tests were performed using a ball-on-disk pure rolling-contact system under an applied voltage on polyalphaolefin oils of three viscosities (4, 10, and 150 cSt measured at 100 °C), with and without the addition of a phosphonium-phosphate IL. Surface damage was analyzed using scanning electron microscopy (SEM) and stylus profilometry. Damage quantification was based on pit morphology analysis of SEM images. The results provide new insights into how oil viscosity governs the discharge behavior and how an IL additive could influence the pit formation. While viscosity seems to play a significant role, an IL additive shows potential to reduce EIBD and deserves further study.

electrically induced bearing damage (EIBD)↗
DOE OSTI2021

Quantized critical supercurrent in SrTiO 3 -based quantum point contacts

Superconductivity in SrTiO 3 occurs at remarkably low carrier densities and therefore, unlike conventional superconductors, can be controlled by electrostatic gates. Here, we demonstrate nanoscale weak links connecting superconducting leads, all within a single material, SrTiO 3 . Ionic liquid gating accumulates carriers in the leads, and local electrostatic gates are tuned to open the weak link. These devices behave as superconducting quantum point contacts with a quantized critical supercurrent. This is a milestone toward establishing SrTiO 3 as a single-material platform for mesoscopic superconducting transport experiments that also intrinsically contains the necessary ingredients to engineer topological superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

$$\alpha $$-event characterization and rejection in point-contact HPGe detectors

Abstract P-type point contact (PPC) HPGe detectors are a leading technology for rare event searches due to their excellent energy resolution, low thresholds, and multi-site event rejection capabilities. We have characterized a PPC detector’s response to $$\alpha $$ α particles incident on the sensitive passivated and p $$^+$$ + surfaces, a previously poorly-understood source of background. The detector studied is identical to those in the Majorana Demonstrator experiment, a search for neutrinoless double-beta decay ( $$0\nu \beta \beta $$ 0 ν β β ) in $$^{76}$$ 76 Ge. $$\alpha $$ α decays on most of the passivated surface exhibit significant energy loss due to charge trapping, with waveforms exhibiting a delayed charge recovery (DCR) signature caused by the slow collection of a fraction of the trapped charge. The DCR is found to be complementary to existing methods of $$\alpha $$ α identification, reliably identifying $$\alpha $$ α background events on the passivated surface of the detector. We demonstrate effective rejection of all surface $$\alpha $$ α events (to within statistical uncertainty) with a loss of only 0.2% of bulk events by combining the DCR discriminator with previously-used methods. The DCR discriminator has been used to reduce the background rate in the $$0\nu \beta \beta $$ 0 ν β β region of interest window by an order of magnitude in the Majorana Demonstrator and will be used in the upcoming LEGEND-200 experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Modeling protein structures from predicted contacts with modern molecular dynamics potentials: accuracy, sensitivity, and refinement

Protein structure prediction has become increasingly popular and successful in recent years. An essential step for fragment-free, template-free methods is the generation of a final three-dimensional protein model from a set of predicted amino acid contacts that are often described by interresidue pairwise atomic distances. Here we explore the use of modern, open-source molecular dynamics (MD) engines, which have been continually developed over the last three decades with all-atom Hamiltonians to model biomolecular structure and dynamics, to generate accurate protein structures starting from a set of inferred pairwise distances. Additionally, the ability of MD empirical physical potentials to correct inaccuracies in the predicted geometries is tested. We rigorously characterize the effect of modeling parameters on results, the effect of different amounts of error in the predicted distances on the final structures, and test the ability of post-processing analysis to sort the best models out of a set of statistical replicas. We find that with exact distances and with noisy distances, the method can produce excellent structural models, and that the molecular dynamics force field seems to help correct errors in distance predictions, resisting the effects of applied noise.

Davidson, Russ↗
DOE OSTI2023

Temperature-Dependent Sheet and Contact Resistivity Measurements on Ag and Ag-Ni Circuit Pastes

The metal circuits and brazes used in electronic, energy conversion, and/or energy storage devices often have difficulty wetting and adhering to ceramic and/or ceramic-passivated metal substrates. Here, a novel Particle Interlayer Directed Wetting and Spreading (PIDWAS) technique is demonstrated that utilizes screen printing, the low wetting angle of silver on nickel, and the high work of adhesion between nickel and various ceramics to produce well-adhered, self-assembled silver patterns on ceramic and/or stainless-steel substrates not normally wet by silver. The resulting Ag-Ni circuits have higher sapphire adhesion strengths (up to 30 MPa on sapphire), higher densities (>97% on sapphire), and similar high-temperature electronic resistivities to those made using commercially-available Heraeus C8710 or DAD-87 silver circuit pastes. Similarly, Ag-Ni brazes between a variety of ceramic and/or stainless-steel substrates have better microstructural stability with rapid thermal cycling, reduction-oxidation cycling, and dual atmosphere isothermal aging than conventional Ag-CuO brazes. In addition, the residual Ni in these Ag-Ni circuits and brazes can be used to chemically getter surface segregated Al, ensuring low contact resistances on a variety of chromia- and/or alumina-passivated stainless steels. Reference: [1] Hu G, Zhou Q, Bhatlawande A, Park J, Termuhlen R, Ma Y, Bieler TR, Yu HC, Qi Y, Hogan T & Nicholas JD. Patterned Nickel Interlayers for Enhanced Silver Wetting, Spreading and Adhesion on Ceramic Substrates. Scripta Materialia, 2021; 196, 113767. 10.1016/j.scriptamat.2021.113767 [2] Park J, Phongpreecha T, Nicholas JD & Qi Y. Enhanced Liquid Metal Wetting on Oxide Surfaces via Patterned Particles. Acta Materialia, 2020; 199, 551-560. 10.1016/j.actamat.2020.08.037

Bhatlawande, Aishwarya↗
DOE OSTI2022

SAXS analysis of the intrinsic tenase complex bound to a lipid nanodisc highlights intermolecular contacts between factors VIIIa/IXa

Abstract The intrinsic tenase (Xase) complex, formed by factors (f) VIIIa and fIXa, forms on activated platelet surfaces and catalyzes the activation of factor X to Xa, stimulating thrombin production in the blood coagulation cascade. The structural organization of the membrane-bound Xase complex remains largely unknown, hindering our understanding of the structural underpinnings that guide Xase complex assembly. Here, we aimed to characterize the Xase complex bound to a lipid nanodisc with biolayer interferometry (BLI), Michaelis–Menten kinetics, and small-angle X-ray scattering (SAXS). Using immobilized lipid nanodiscs, we measured binding rates and nanomolar affinities for fVIIIa, fIXa, and the Xase complex. Enzyme kinetic measurements demonstrated the assembly of an active enzyme complex in the presence of lipid nanodiscs. An ab initio molecular envelope of the nanodisc-bound Xase complex allowed us to computationally model fVIIIa and fIXa docked onto a flexible lipid membrane and identify protein–protein interactions. Our results highlight multiple points of contact between fVIIIa and fIXa, including a novel interaction with fIXa at the fVIIIa A1–A3 domain interface. Lastly, we identified hemophilia A/B-related mutations with varying severities at the fVIIIa/fIXa interface that may regulate Xase complex assembly. Together, our results support the use of SAXS as an emergent tool to investigate the membrane-bound Xase complex and illustrate how mutations at the fVIIIa/fIXa dimer interface may disrupt or stabilize the activated enzyme complex.

Hematology↗
DOE OSTI2024

Non-contact imaging of terahertz surface currents with aperture-type near-field microscopy

Terahertz (THz) near-field imaging and spectroscopy provide valuable insights into the fundamental physical processes occurring in THz resonators and metasurfaces on the subwavelength scale. However, so far, the mapping of THz surface currents has remained outside the scope of THz near-field techniques. In this study, we demonstrate that aperture-type scanning near-field microscopy enables non-contact imaging of THz surface currents in subwavelength resonators. Through extensive near-field mapping of an asymmetric D-split-ring THz resonator and full electromagnetic simulations of the resonator and the probe, we demonstrate the correlation between the measured near-field images and the THz surface currents. The observed current dynamics in the interval of several picoseconds reveal the interplay between several excited modes, including dark modes, whereas broadband THz near-field spectroscopy analysis enables the characterization of electromagnetic resonances defined by the resonator geometry.

Norman, Sarah↗
DOE OSTI2020

Pericentromeric heterochromatin is hierarchically organized and spatially contacts H3K9me2 islands in euchromatin

Membraneless pericentromeric heterochromatin (PCH) domains play vital roles in chromosome dynamics and genome stability. However, our current understanding of 3D genome organization does not include PCH domains because of technical challenges associated with repetitive sequences enriched in PCH genomic regions. We investigated the 3D architecture of Drosophila melanogaster PCH domains and their spatial associations with the euchromatic genome by developing a novel analysis method that incorporates genome-wide Hi-C reads originating from PCH DNA. Combined with cytogenetic analysis, we reveal a hierarchical organization of the PCH domains into distinct “territories.” Strikingly, H3K9me2-enriched regions embedded in the euchromatic genome show prevalent 3D interactions with the PCH domain. These spatial contacts require H3K9me2 enrichment, are likely mediated by liquid-liquid phase separation, and may influence organismal fitness. Our findings have important implications for how PCH architecture influences the function and evolution of both repetitive heterochromatin and the gene-rich euchromatin.

Genetics & Heredity↗
DOE OSTI2020

Design, Optimization, and In-Depth Understanding of Front and Rear Junction Screen-Printed Double-Side Passivated Contacts Solar Cells

Investigate the efficiency potential of n-type screen-printed poly-Si based double-side tunnel oxide passivated contacts (DS-TOPCon) silicon solar cells Establish key material/device parameters and technologies to attain practically achievable DS-TOPCon cell efficiency by Quokka 2D Develop fundamental understanding of underlying mechanisms governing cell operation in front junction (FJ) and rear junction (RJ) cell designs to explain why RJ is a better choice for DS-TOPCon structure

14 SOLAR ENERGY↗
DOE OSTI2020

Crystalline Silicotitanate Batch Contact Testing with Ba, Ca, Pb, and Sr

Washington River Protection Solutions is working to support initial production of immobilized low-activity waste (LAW) by feeding Hanford tank supernate from tank farms to the Hanford Waste Treatment and Immobilization Plant (WTP) LAW Facility. This goal incorporates the design of a Tank Side Cesium Removal system, which filters tank waste supernate to remove suspended solids and then removes Cs by processing it through crystalline silicotitanate (CST) ion exchange media manufactured by Honeywell UOP, LLC. The 137 Cs-depleted product is intended to be sent to the WTP for vitrification. Processing of actual tank waste supernate showed effectively complete uptake of Sr and Ba by CST and significant uptake of Ca. Further, Campbell et al. (2019) analyzed CST post-column testing and found significant (>1E-2 mmoles/g) uptake of Ca and Pb along with some Ba, Cd, Fe, Sr, and U. This led to concern that selected metals, particularly the +2 cations, Ca, Sr, Ba, and Pb may be consuming Cs exchange sites and possibly reducing CST capacity for Cs. Exchange of +2 cations was assumed to be associated with the M(OH) + species for the metal (M) ion in the caustic solution. A series of batch contact testing was conducted to evaluate the exchange behavior of Ba, Ca, Pb, and Sr onto CST. The Cs exchange behavior was also tested as a benchmark for direct comparisons. The CST was provided in the sodium form by Honeywell UOP, as IONSIV TM R9140-B, Lot 2002009604, 18 x 50 mesh. A <30-mesh aliquot was collected to match the sieve fraction expected for use in upcoming small column test configurations. Kinetic exchange rate and isotherms were measured at metal concentrations benchmarked from the AP-107 tank waste feed composition and as limited by the metal solubility in the alkaline solution. Two simplified matrices were tested: 1) 1.0 M NaOH/4.6 M NaNO 3 and 2) 0.1 M NaOH/5.5 M NaNO 3 ; these matrices represented the expected 5.6 M Na concentration of process feed and served to address the hydroxide concentration effect on exchange behavior.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Optimization-based algorithms for nonlinear mechanics and frictional contact

An optimization-based strategy for solving nonlinear mechanics problems is proposed. In contrast to typical nonlinear equation solver algorithms that aim to find zeros in the residual force function, we minimize an energy (or energy-like) function to encourage solutions which are locally stable equilibria. These smooth and potentially non-convex objective functions are minimized using a preconditioned conjugate-gradient trust-region algorithm. Contact is formulated as an inequality constrained minimization problem, and is solved with an augmented Lagrangian algorithm. Friction is included in the approach via a regularized quasi-potential energy, and other dissipative behavior is included through the use of variational constitutive updates. Finally, to accelerate convergence rates for the Lagrange multipliers, we propose a novel multiplier update algorithm utilizing the Fischer-Burmeister function, and demonstrate super-linear solver convergence for some applications.

42 ENGINEERING↗
DOE OSTI2021

Degradation Studies of Silicone Rubbers in Direct Contact with Corrosive Solids Under Compression

Silicone elastomers are polymer materials widely used within the complex, serving as cushions, adhesives, binders, and potting compounds. Excellent high-temperature resistance combined with low-temperature flexibility, high resistance to chemicals and long-term age-related stability, make silicones first-choice materials in many application areas. However, the siloxane bonds comprising the backbone of silicone elastomers are susceptible to hydrolysis when catalytic amounts of acid or base are present. Hydrolysis is a form of degradation that results in chain-cleavage and rearrangement reactions, which can manifest in changes to the physical response and mechanical properties of the elastomer. This task aims to assess and quantify the extent of degradation and/or corrosion of silicone elastomer materials when placed in direct compressive contact with an Arrhenius base under varying environments (oxidative/nonoxidative, relative humidity, temperature, time, etc.).

36 MATERIALS SCIENCE↗
DOE OSTI2023

Life-cycle costing assessment of back contact doping and encapsulation alternatives for increasing the life expectancy of CdTe PV modules (Final Report)

Contribution of Research to the State-of-Knowledge This research produced comparative sustainability evaluations of back contact doping and encapsulation alternatives considered by First Solar for decreasing degradation and increasing the life of the cadmium telluride (CdTe) photovoltaic (PV) modules. Technical Effectiveness and Economic Feasibility of Methods Investigated A holistic life-cycle-assessment of the alternatives considered for longer module operational lives, showed that they add between 0.2% and 2% to environmental impact indicators at the cradle-to-gate module level, but at the cradle-to-grave system level, alternative materials offer only benefits (i.e., environmental impact indicator decreases) to the public and the environment. Parallel experimental studies at First Solar showed that the use of the considered alternative materials did not impact the effectiveness of the current module recycling separations and material recovery processes. Furthermore, the increment on the module manufacturing cost due to using alternative materials was estimated to be negligible (i.e., >1%) and longer module lives more than compensate cost increases. Specifically, increase of the current warranted module life of 30 years to 50 years, would decrease the levelized cost of electricity (LCOE) from $40/MWh to $24/MWh for utility-scale installations in the US-SW, the economic feasibility of the considered alternatives is assured. Benefit to the Public With decreasing degradation from the current ~0.3%/year of Series 6 modules to less than 0.2%/year, the public will be benefited by longer photovoltaic operational lives, and therefore. In addition, the requirement for end-of-life management is shifted from 30 years to 40 or 50 years, with profound benefits to the public and the environment.

14 SOLAR ENERGY↗
DOE OSTI2024

Non-contact Thermophysical Characterization of Solids and Fluids for Gen3 Concentrating Solar Power

In this project, we aim to develop Modulation Photothermal Radiometry (MPR), which is an attractive non-contact tool to evaluate thermophysical properties of high-temperature solids and HTFs that are otherwise time-consuming and difficult to measure and for in-situ testing of these properties. Therefore, the main objective of the project is the development and application of MPR to characterize high temperature thermophysical properties of heat transfer fluids (HTFs) and the solids (tubing and solar absorbing coating) in various components and sub-systems used in CSP plants. The measurements will be first demonstrated on a wide range of materials at UCSD and then the tool will be transferred to other facilities within the Gen3 CSP portfolio.

14 SOLAR ENERGY↗
DOE OSTI2025

Development of ~25% Efficient Double Side Screen Printed Poly-Si/SiO x Passivated Contact Solar Cells

This program aims to overcome these challenges and develop high-efficiency (24-25%) double-side (DS) TOPCon solar cells by maximizing passivation on both sides while mitigating light absorption losses. To achieve this, the program will implement either thin (≤ 20 nm) homogeneous n-TOPCon on the entire front surface or selective area thick (≥ 100 nm) n-TOPCon only underneath the front metal contact with ~90% field region composed of dielectric passivated textured n-Si in between the poly-Si/metal grid. The rear side will feature ~250 nm-thick full-area planar p-TOPCon, which functions as the rear junction. Recombination and parasitic absorption losses in the front and rear TOPCon layers will be minimized by tailoring their doping profiles and thickness. Additionally, the device performance will be further enhanced through the optimization of bulk parameters, including the carrier lifetime, resistivity, and thickness of the n-type Si absorber. Finally, advanced metallization techniques, such as fine-line printing, and floating busbar or busbar-less designs, will be employed to reduce recombination, resistive, and optical losses. The program started with the development of a technology roadmap for DS-TOPCon cells to achieve target efficiency.

14 SOLAR ENERGY↗
DOE OSTI2025

One-Dimensional Multi-Velocity Capabilities for Arbitrary Lagrangian-Eulerian Normal Contact Mechanics

Lagrangian and Arbitrary Lagrangian Eulerian (ALE) hydrodynamics codes such as FLAG form the backbone of many mission-critical multi physics simulations at Los Alamos National Laboratory. Critical to pre forming high fidelity simulations with these codes are Lagrangian and ALE contact algorithms, which allow materials to collide, slide, and sep arate throughout a simulation.

97 MATHEMATICS AND COMPUTING↗