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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Atomistic mechanisms of water vapor–induced surface passivation

The microscopic mechanisms underpinning the spontaneous surface passivation of metals from ubiquitous water have remained largely elusive. Here, using in situ environmental electron microscopy to atomically monitor the reaction dynamics between aluminum surfaces and water vapor, we provide direct experimental evidence that the surface passivation results in a bilayer oxide film consisting of a crystalline-like Al(OH) 3 top layer and an inner layer of amorphous Al 2 O 3 . The Al(OH) 3 layer maintains a constant thickness of ~5.0 Å, while the inner Al 2 O 3 layer grows at the Al 2 O 3 /Al interface to a limiting thickness. On the basis of experimental data and atomistic modeling, we show the tunability of the dissociation pathways of H 2 O molecules with the Al, Al 2 O 3 , and Al(OH) 3 surface terminations. The fundamental insights may have practical significance for the design of materials and reactions for two seemingly disparate but fundamentally related disciplines of surface passivation and catalytic H 2 production from water.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Constructive molecular configurations for surface-defect passivation of perovskite photovoltaics

Surface trap-mediated nonradiative charge recombination is a major limit to achieving high-efficiency metal-halide perovskite photovoltaics. The ionic character of perovskite lattice has enabled molecular defect passivation approaches through interaction between functional groups and defects. However, a lack of in-depth understanding of how the molecular configuration influences the passivation effectiveness is a challenge to rational molecule design. In this work, the chemical environment of a functional group that is activated for defect passivation was systematically investigated with theophylline, caffeine, and theobromine. When N-H and C=O were in an optimal configuration in the molecule, hydrogen-bond formation between N-H and I (iodine) assisted the primary C=O binding with the antisite Pb (lead) defect to maximize surface-defect binding. A stabilized power conversion efficiency of 22.6% of photovoltaic device was demonstrated with theophylline treatment.

14 SOLAR ENERGY↗
DOE OSTI2024

Amidination of ligands for chemical and field-effect passivation stabilizes perovskite solar cells

Surface passivation has driven the rapid increase in the power conversion efficiency (PCE) of perovskite solar cells (PSCs). However, state-of-the-art surface passivation techniques rely on ammonium ligands that suffer deprotonation under light and thermal stress. We developed a library of amidinium ligands, of interest for their resonance effect–enhanced N–H bonds that may resist deprotonation, to increase the thermal stability of passivation layers on perovskite surfaces. This strategy resulted in a >10-fold reduction in the ligand deprotonation equilibrium constant and a twofold increase in the maintenance of photoluminescence quantum yield after aging at 85°C under illumination in air. Here, implementing this approach, we achieved a certified quasi–steady-state PCE of 26.3% for inverted PSCs; and we report retention of ≥90% PCE after 1100 hours of continuous 1-sun maximum power point operation at 85°C.

Yang, Yi↗
DOE OSTI2018

Photoinduced Degradation of the Optical Properties of Colloidal Ag{sub 2}S and CdS Quantum Dots Passivated by Thioglycolic Acid

The results of studying degradation of the optical properties of colloidal Ag{sub 2}S and CdS quantum dots (QDs) 2.6–3.2 nm in size passivated by thioglycolic acid (TGA) are presented. The photoluminescence intensity of colloidal Ag{sub 2}S QDs has been found to decrease under laser irradiation at a wavelength of 445 nm, beginning with the effective power of 10 mW. The observed effect is interpreted as a photochemical reaction of formation of new nonradiative-recombination channels in Ag{sub 2}S QDs upon excitation. It is established for colloidal CdS QDs passivated by TGA that a decrease in the optical density in the entire absorption spectrum and the luminescence intensity is accompanied by precipitation of the colloidal particles in a cell and related to photodegradation of the passivating shell.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2013

Advection of a passive vector field by the Gaussian velocity field with finite correlations in time

Using the field theoretic renormalization group technique the model of a passive vector field advected by an incompressible turbulent flow is investigated up to the second order of the perturbation theory (two-loop approximation). The turbulent environment is given by statistical fluctuations of the velocity field that has a Gaussian distribution with zero mean and defined noise with finite correlations in time. Two-loop analysis of all possible scaling regimes in general d-dimensional space is done in the plane of exponents ɛ − η, where ɛ characterizes the energy spectrum of the velocity field in the inertial range E ∝ k{sup 1−2ε}, and η is related to the correlation time at the wave number k which is scaled as k{sup −2+η}. It is shown that the scaling regimes of the present model of vector advection have essentially different properties than the scaling regimes of the corresponding model of passively advected scalar quantity. The results demonstrate the fact that within the present model of passively advected vector field the internal tensor structure of the advected field can have nontrivial impact on the diffusion processes deep inside in the inertial interval of given turbulent flow.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Ab Initio Insights to Metal Passivation: Diffusion and Defect Formation in Amorphous Zirconia and Alumina

Metal passivation refers to the formation of protective oxide films on metals, which shield them from further corrosion and oxidation, playing a crucial role in maintaining their stability. The mesoscopic Point Defect Model has successfully predicted passivity as a steady state process where oxide growth from oxygen vacancies at the metal/film interface competes with oxide dissolution at the film/environment interface. In this work, informed by the Point Defect Model parameters, we use first-principles calculations to calculate defect formation and atomic diffusion in amorphous materials and correlate these descriptors with the behavior and growth of the oxide film. Focusing on amorphous zirconia and alumina, we demonstrate that defect formation energies exhibit significant variability in amorphous systems. In alumina, vacancies dominate, with cation and anion vacancies occurring at comparable concentrations. Diffusion calculations for stoichiometric amorphous alumina and zirconia, as well as oxygen-deficient zirconia, reveal faster diffusion in the oxygen-deficient case, highlighting the impact of defects on transport. Comparison of calculated self-diffusion coefficients for the dominant defect species with experimentally measured oxide thicknesses shows a clear correlation, suggesting that first-principles-derived diffusivity information can serve as a key descriptor for surface passivation film growth.

Farnell, Mackinzie S. [University of California, B↗
DOE OSTI2021

Room temperature plasma-etching and surface passivation of far-ultraviolet Al mirrors using electron beam generated plasmas

The development of optical systems operating in the far ultraviolet range (FUV, λ=100-200 nm) is limited by the efficiency of passivated aluminum (Al) mirrors. Although it is presently possible to obtain high-reflectivity FUV mirrors through physical vapor deposition, the process involves deposition with substrates at high temperatures, which is technically challenging for large optical elements. A novel passivation procedure for bare Al mirrors is reported. The treatment consisted of using a low-temperature electron-beam generated plasma produced in a gas mixture of Ar and SF6 to etch away the native oxide layer from the Al film, while simultaneously promoting the generation of a thin aluminum tri-fluoride (AlF3) layer on the Al surface. In the first section we analyze the effect of varying both ion energy and SF6 concentration on the FUV reflectance, thickness, composition, and surface morphology of the resulting AlF3 protective layers. In the second section, the reflectivity of samples is optimized at selected important FUV wavelengths for astronomical observations. Notably, samples attained state-of-the-art reflectances of 75% at 108.5 nm (He Lyman γ), 91% at 121.6 nm (H Lyman α), 90% at 130.4 nm (OI), and of 95% at 155.0 nm (C IV). The stability over time of these passivated mirrors is also investigated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Hydrodynamics of suspensions of passive and active rigid particles: a rigid multiblob approach

We develop a rigid multiblob method for numerically solving the mobility problem for suspensions of passive and active rigid particles of complex shape in Stokes flow in unconfined, partially confined, and fully confined geometries. As in a number of existing methods, we discretize rigid bodies using a collection of minimally resolved spherical blobs constrained to move as a rigid body, to arrive at a potentially large linear system of equations for the unknown Lagrange multipliers and rigid-body motions. Here we develop a block-diagonal preconditioner for this linear system and show that a standard Krylov solver converges in a modest number of iterations that is essentially independent of the number of particles. Key to the efficiency of the method is a technique for fast computation of the product of the blob-blob mobility matrix and a vector. For unbounded suspensions, we rely on existing analytical expressions for the Rotne-Prager-Yamakawa tensor combined with a fast multipole method (FMM) to obtain linear scaling in the number of particles. For suspensions sedimented against a single no-slip boundary, we use a direct summation on a graphical processing unit (GPU), which gives quadratic asymptotic scaling with the number of particles. For fully confined domains, such as periodic suspensions or suspensions confined in slit and square channels, we extend a recently developed rigid-body immersed boundary method by B. Kallemov, A. P. S. Bhalla, B. E. Griffith, and A. Donev (Commun. Appl. Math. Comput. Sci. 11 (2016), no. 1, 79-141) to suspensions of freely moving passive or active rigid particles at zero Reynolds number. We demonstrate that the iterative solver for the coupled fluid and rigid-body equations converges in a bounded number of iterations regardless of the system size. In our approach, each iteration only requires a few cycles of a geometric multigrid solver for the Poisson equation, and an application of the block-diagonal preconditioner, leading to linear scaling with the number of particles. We optimize a number of parameters in the iterative solvers and apply our method to a variety of benchmark problems to carefully assess the accuracy of the rigid multiblob approach as a function of the resolution. We also model the dynamics of colloidal particles studied in recent experiments, such as passive boomerangs in a slit channel, as well as a pair of non-Brownian active nanorods sedimented against a wall.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

CMR Shuffler System: Passive Mode Calibration and Certification Report

Los Alamos National Laboratory has a number of spherical confinement vessels (CVs) remaining from tests involving nuclear materials. These vessels have an inner diameter of 6 feet with 1 to 2 inch thick steel walls. The goal of the Confinement Vessel Disposition (CVD) project is to remove debris and reduce contamination inside the vessels. As debris is removed from the vessels, material will be placed in waste drums. Far-field gamma ray assay will be used to determine when a drum is nearing a 239 Pu equivalent mass of less than 200 g. The drum will then be assayed using a waste drum shuffler operated in passive mode using a neutron coincidence counting method for accountability. This report focuses on the testing and calibration of the CMR waste drum shuffler in passive mode operation. Initial testing was performed to confirm previously accepted measurement parameters. The system was then calibrated using a set of weapons grade Pu (WGPu, 239 Pu > 93%) oxide standards placed inside a 55 gallon drum. The calibration data ranges from Pu mass of 0.5 g to 188.9 g. The CMR waste drum shuffler has been tested and calibrated in passive mode in preparation for safeguards accountability measurements of waste drums containing material removed from CVs for the CVD project.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Passive Heterodyne Detection Using Multiple Spatial Modes

We investigated the utility of passive heterodyne detection for the remote sensing of chemicals. We performed sensor simulations for a heterodyne receiver that operates with multiple spatial modes of radiation. We find that the heterodyne signals associated with distinct spatial modes of radiation can be detected in combination. We compare this to the well-known concept referred to as the “Siegman antenna theorem”, which is usually interpreted as limiting heterodyne receivers to a single spatial mode. We show that the heterodyne signal/noise ratio does not improve beyond the single-mode SNR. We discuss the possibility of performing imaging in the multi-mode configuration, using a multi-mirror array or an array heterodyne detector. We conclude that multiple-mode passive heterodyne sensing requires a bright source of radiation, since the combination of the modes does not boost the SNR. We discuss why passive heterodyne imaging is potentially feasible.

42 ENGINEERING↗
DOE OSTI2013

Technical Needs for Prototypic Prognostic Technique Demonstration for Advanced Small Modular Reactor Passive Components

This report identifies a number of requirements for prognostics health management of passive systems in AdvSMRs, documents technical gaps in establishing a prototypical prognostic methodology for this purpose, and describes a preliminary research plan for addressing these technical gaps. AdvSMRs span multiple concepts; therefore a technology- and design-neutral approach is taken, with the focus being on characteristics that are likely to be common to all or several AdvSMR concepts. An evaluation of available literature is used to identify proposed concepts for AdvSMRs along with likely operational characteristics. Available operating experience of advanced reactors is used in identifying passive components that may be subject to degradation, materials likely to be used for these components, and potential modes of degradation of these components. This information helps in assessing measurement needs for PHM systems, as well as defining functional requirements of PHM systems. An assessment of current state-of-the-art approaches to measurements, sensors and instrumentation, diagnostics and prognostics is also documented. This state-of-the-art evaluation, combined with the requirements, may be used to identify technical gaps and research needs in the development, evaluation, and deployment of PHM systems for AdvSMRs. A preliminary research plan to address high-priority research needs for the deployment of PHM systems to AdvSMRs is described, with the objective being the demonstration of prototypic prognostics technology for passive components in AdvSMRs. Greater efficiency in achieving this objective can be gained through judicious selection of materials and degradation modes that are relevant to proposed AdvSMR concepts, and for which significant knowledge already exists. These selections were made based on multiple constraints including the analysis performed in this document, ready access to laboratory-scale facilities for materials testing and measurement, and potential synergies with other national laboratory and university partners.

Advanced Small Modular Reactors↗
DOE OSTI2018

Failure Rate Estimates for Passive Mechanical Components

Fusion design projects that reach the stage of design reviews typically require reliability, availability, maintainability and inspectability (RAMI) assessments. While many kinds of reliability and maintainability data are needed for a wide variety of fusion components to quantify a RAMI assessment, one of the types of components requiring data is the passive mechanical component. Passive mechanical components can be items such as metal plates, rods, shafts, brackets, bolts, and other items. Generally these passive components tend to have low failure rates since they are simple designs, have no or few moving parts, and do not need control signals to perform their design function. However, there are no widely recognized datasets for such components, so analysts must use multiple datasets and judgment for failure rates. This report gives recommended failure rates for various failure modes of these components, and gives suggested failure rate multipliers to apply to these failure rates if they reside in harsh environments. If the component resides far from the tokamak then typical industrial failure rates would suffice. Components near the tokamak find conditions can be demanding; similar to those in a fission reactor containment building. Some component failure rates can be modified if the components reside inside the tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Passivated Interfaces and Surface Recombination Velocities in Halide Perovskites

Surfaces and charge-extracting contacts remain major sources of non-radiative recombination loss; limiting the performance of perovskite PV compared to theoretical limits. We investigate mixed-cation mixed-halide perovskites and demonstrate that, with chemical surface passivation, they can achieve >4 μs minority carrier lifetimes, and >20% external PL quantum yields (PLQY), and nearly single-exponential decay kinetics. This high PLQY observed corresponds to ~97% of the Shockley-Queisser theoretical quasi-fermi level splitting, a first for MA-free mixed-cation mixed-halide compositions. The high PLQY and long PL lifetimes allow us to measure average surface recombination velocities (SRV) <10cm/s, with a champion low of ~1cm/s (a conservative estimate). We show how such improvements in SRV should lead to an absolute improvement in PCE of >4% even with the best of contact alignments. We investigate different MA-free high bandgap compositions, including bandgaps relevant for tandem applications (1.7-1.8eV), and demonstrate performance improvements across all these compositions with our surface passivation strategy. Lastly, using a combination of surface characterization techniques, we show Lewis base interactions of the passivating agent with the perovskite surfaces.

14 SOLAR ENERGY↗
DOE OSTI2021

All-Digital Plug and Play Passive RFID Sensors for Energy Efficient Building Control

This is the final report for the project “All-Digital Plug and Play Passive RFID Sensors for Energy Efficient Building Control”, funded by DOE, and performed by Clemson University, Phase IV Engineering and Harvard University from October 1, 2016 to December 31, 2020. The main objective of this project is to develop, demonstrate and pre-commercialize a novel, plug & play, battery-free, wireless sensor technology to enable low-cost (<$10 per node) indoor and outdoor temperature and humidity measurement for energy efficient building controls and operations. The proposed technology is based on the novel concept of all-digital sensing and its seamless integration with the passive RFID technology. This project focuses on the design, fabrication, material optimization, interrogation electronics, validation, and demonstration of the novel sensor nodes for building applications. The specific objectives of this research program include: (1) Design, fabricate and optimize a compact, robust, and high-resolution digitizer, which could convert rotation angle into digital numbers. (2) Develop the multi-physics-based modeling and simulation of the temperature/humidity transducer to derive a rational design of the architecture, dimension, structure, materials (i.e., mechanical, electrical, thermal and hygroscopic) properties and functions of the sensor node. (3) Design, fabricate and optimize the bi-material based humidity sensitive coil which could linearly transduce the environmental relative humidity variations to rotation angles. (4) Design, fabricate and optimize an UHF RFID platform which could support long-range passive wireless communications of 8-bit digital numbers. (5) Design, fabricate and optimize the miniaturized all-digital sensor using MEMS technology. (6) Validate the integrated all-digital sensing system in a real building environment to test the system’s performance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Micro-Transfer Printing of Repeaters on Passive Interposer

Silicon-based sensors are central to particle physics experiments and particle tracking detectors. New-generation Large Focal Plane Arrays (LFPAs) cover areas that extend beyond several square meters. Distributing power and transporting data across such areas while maintaining good signal integrity is a complicated challenge. Tiling the detector on an organic interposer would be far too expensive and take too much space while offering little to no advantage regarding signal integrity. Passive silicon interposers are much less expensive and more integrable but would worsen signal integrity because of their inherent higher dielectric constant. Active interposers are a good compromise from the economic and signal integrity standpoint; unfortunately, their yield trends to zero for areas greater than a reticle size, making this technology incompatible with our application. NHanced proposes to duplicate the behavior of a high-yield, low-cost active interposer by printing active microcomponents on a passive interposer with our die-to-wafer micro-transfer printing (MTP) technology. This resolves the signal integrity and power distribution limitations. In Phase I, we designed and simulated analog and digital repeaters to be MTPed onto a passive silicon interposer test wafer.

2.5D↗
DOE OSTI2024

Heat Transfer Through a Passive Fire Protective Board from an Impinging Hydrogen Flame

This report documents analysis to determine whether a hydrogen jet flame impinging on a tunnel ceiling structure could result in permanent damage to the Callahan tunnel in Boston, Massachusetts. This tunnel ceiling structure consists of a passive fire protective board supported by stainless steel hangers anchored to the tunnel ceiling with epoxy. Three types of fire protective boards were considered to determine whether heat from the flame could reach the stainless-steel hangers and the epoxy and cause the ceiling structure to collapse. Heat transfer analyses performed showed that the temperature remains constant where the steel hangers are attached to the passive fire protective board. According to these results, the passive fire protective board should provide adequate protection to the tunnel structure in this release scenario. Tunnel structures with similar suspended fire-resistant liner board materials should protect the integrity of the structure against the extremely low probability of an impinging hydrogen jet flame.

08 HYDROGEN↗
DOE OSTI2025

Improvements to Passive Heat Removal Systems in SAS4A/SASSYS-1

Safe operation of a sodium cooled fast reactor (SFR) can be significantly aided by heat removal systems that do not rely on active power, but function using passive means. Passive heat removal from such reactors can employ systems that extract heat directly from sodium coolant by utilizing heat exchangers submerged in the coolant and natural circulation of a metal fluid sodium (or sodium potassium eutectic) to heat exchangers (generally air cooled) externally located. These types of systems are generally called Direct Reactor Auxiliary Cooling Systems (DRACS). Another type of passive heat removal system particularly suitable for pool-type SFRs relies on indirect extraction of heat by utilizing air flow in an annular region surrounding the reactor guard vessel which discharges the heat via the chimney effects to the atmosphere. These systems are generally called Reactor Vessel Auxiliary Cooling Systems (RVACS).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Detector Performance on Surface Passivation and its Long-Term Stability

Surface passivation is an ideal technique to prepare the surfaces of fabrication Cadmium Zinc Telluride (CZT) and related semiconductor devices such as Cadmium Zinc Tellurium Selenide (CZTS). Surface passivation techniques reduce the effects of aging in the detector [1]. Surface performance effects on material performance can result in fluctuations in energy resolution over time (such as periods of a year or more). The long-term stability of surface passivation with Potassium Hydroxide (KOH) was observed with measurement of 1) current (nano Amp) vs voltage (V) and 2) spectral response and energy resolution throughout the years. Three CZTS detector samples of M2, M3, and M4 were examined using a photomultiplier tube and voltage amplifier. The Bridgman technique is used to grow the CZTS used in this study.

Johnson, Kirsten [Morgan State Univ., Baltimore, M↗