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At least 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Surface Sn(IV) Hydrolysis Improves Inorganic Sn–Pb Perovskite Solar Cells

Cesium tin-lead (Sn-Pb) perovskites are exceptional for their combined capabilities in unlocking ideal bandgaps for solar cells and mitigating the stability issue faced by their hybrid organic-inorganic counterparts. But the development of high-performance solar cells using these materials is retarded by their inherent high density of detrimental Sn(IV) defects. Herein, we demonstrate a sequential surface treatment method, which entails a Sn(II) halide treatment to displace the buried Sn(IV) ions underneath the film surface, followed by a H 2 O treatment to hydrolyze the displaced Sn(IV) ions. The surface treatment induces chemical and microstructural reconstructions that significantly improve the optoelectronic properties and stability of perovskites. As a result, a power conversion efficiency of 16.79% and a T 90 stability of 958 h are achieved, topping all previously reported performance parameters for inorganic Sn-Pb PSCs. This achievement further shortens the performance gap between all-inorganic and hybrid organic- inorganic Sn-Pb PSCs with sub-1.4 eV bandgaps.

14 SOLAR ENERGY↗
NASA NTRS1977

Microstructural and wear properties of sputtered carbides and silicides

Sputtered Cr3C2, Cr3Si2, and MoSi2 wear-resistant films (0.05 to 3.5 microns thick) were deposited on metal and glass surfaces. Electron transmission, electron diffraction, and scanning electron microscopy were used to determine the microstructural appearance. Strong adherence was obtained with these sputtered films. Internal stresses and defect crystallographic growth structures of various configurations within the film have progressively more undesirable effects for film thicknesses greater than 1.5 microns. Sliding contact and rolling element bearing tests were performed with these sputtered films. Bearings sputtered with a duplex coating (0.1-micron-thick undercoating of Cr3Si2 and subsequently 0.6-micron coating of MoS2) produced marked improvement over straight MoS2 films.

Spalvins, T.↗
NASA NTRS1977

Microstructural and wear properties of sputtered carbides and silicides

Sputtered Cr3C2, Cr3Si2, and MoSi2 wear-resistant films (0.05 to 3.5 microns thick) were deposited on metal and glass surfaces. Electron transmission, electron diffraction, and scanning electron microscopy were used to determine the microstructural appearance. Strong adherence was obtained with these sputtered films. Internal stresses and defect crystallographic growth structures of various configurations within the film have progressively more undesirable effects for film thicknesses greater than 1.5 microns. Sliding contact and rolling-element bearing tests were also performed with these sputtered films.

Spalvins, T.↗
NASA NTRS1979

Study of the Effects of Impurities on the Properties of Silicon Materials and Performance of Silicon Solar Cell

Numerical solutions were obtained from the exact one dimensional transmission line circuit model to study the following effects on the terrestrial performance of silicon solar cells: interband Auger recombination; surface recombination at the contact interfaces; enhanced metallic impurity solubility; diffusion profiles; and defect-impurity recombination centers. Thermal recombination parameters of titanium impurity in silicon were estimated from recent experimental data. Based on those parameters, computer model calculations showed that titanium concentration must be kept below 6x10 to the 12th power Ti/cu cm in order to achieve 16% AM1 efficiency in a silicon solar cell of 250 micrometers thick and 1.5 ohm-cm resistivity.

Sah, C. T.↗
DOE OSTI2025

First-Principles insights into group-V impurities and their impact on germanium detector performance

The outstanding properties of high-purity germanium (HPGe) detectors, such as excellent energy resolution, high energy sensitivity, and a low background-to-signal ratio, make them essential and ideal candidates for detecting particle signatures in nuclear processes such as neutrino-less double beta decay (0νββ). However, the presence of defects and impurities in HPGe crystals can lead to charge trapping, which affects carrier mobility and results in significant energy resolution degradation. In this work, we employ density functional theory with a hybrid functional to study the energetics of possible point defects in Ge. Our findings indicate that group-V impurities form more readily in Ge compared to vacancy and interstitial of Ge. Unlike N dopants, which yield deep trap states, P, As, and Sb create shallow traps close to the conduction band edge of Ge. Furthermore, we predict that group-V defects can condense into defect complexes with Ge vacancies. These vacancy-impurity complexes form deep traps in Ge, similar to Ge vacancies, suggesting that both vacancies and vacancy-impurity complexes contribute to charge trapping in these detectors, thereby diminishing their performance.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Spin Formability of High-Strength Aluminum Alloys for Aerospace Applications

Near-net-shape fabrication of launch vehicle tanks and aircraft fuselages is critical for meeting the growing demand for unitized structures in the aerospace industry. Cryogenic tank manufacturing relies on multi-piece construction requiring hundreds of meters of welds that increase both structural weight and inspection time. Currently, fuselages have an immense part count requiring tens of thousands of rivets and long assembly time. NASA is pursuing spin and flow forming technology for manufacturing such structures with minimal assembly. These processes enable domes and stiffened barrels to be fabricated using single-piece construction, offering significant manufacturing rate benefits over conventional methods. However, Al alloys with sufficient formability, such as Al 6061, tend to have insufficient strength for aerospace structural applications. In contrast, alloys with higher strength, such as Al 2139 and Al 2050, exhibit insufficient formability during ambient temperature forming. This study investigates the spin formability of competitive 5xxx and 2xxx series Al alloys, identifies defects impeding formability, and sheds light on future processing routes for successful forming.

Aluminum↗
DOE OSTI2024

Violation of the Cauchy–Born rule in multi-principal element alloys

Multi-principal element alloys are a novel class of materials that are formed by combining multiple elements in high concentrations and show exceptional properties compared to conventional alloys. These alloys have high configurational entropy due to inherent atomic disorder. The Cauchy–Born rule is a popular homogenization method for linking atomistic to continuum length scales. In this Letter, we use ab initio density functional theory calculations to report that the Cauchy–Born rule, which holds in conventional alloys in the absence of defects, is not valid in multi-principal element alloys. Further, the violation of the Cauchy–Born rule in these alloys is attributed to the presence of atomic disorder due to which the deformations are inhomogeneous. Our results also show the deviations in deformation are related to the magnitude of the stretch and shear by power laws.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Composition-Dependent Photoluminescence Properties and Anti-Counterfeiting Applications of A 2 AgX 3 (A = Rb, Cs; X = Cl, Br, I)

Copper(I) halides are emerging as attractive alternatives to lead halide perovskites for optical and electronic applications. However, blue-emitting all-inorganic copper(I) halides suffer from poor stability and lack of tunability of their photoluminescence (PL) properties. In this work, the preparation of silver(I) halides A 2 AgX 3 (A = Rb, Cs; X = Cl, Br, I) through solid-state synthesis is reported. In contrast to the Cu(I) analogs, A 2 AgX 3 are broad-band emitters sensitive to A and X site substitutions. First-principle calculations show that defect-bound excitons are responsible for the observed main PL peaks in Rb 2 AgX 3 and that self-trapped excitons (STEs) contribute to a minor PL peak in Rb 2 AgBr 3 . This is in sharp contrast to Rb 2 CuX 3 , in which the PL is dominated by the emission by STEs. Moreover, the replacement of Cu(I) with Ag(I) in A 2 AgX 3 significantly improves photostability and stability in the air under ambient conditions, which enables their consideration for practical applications. Thus, luminescent inks based on A 2 AgX 3 are prepared and successfully used in anti-counterfeiting applications. The excellent light emission properties, significantly improved stability, simple preparation method, and tunable light emission properties demonstrated by A 2 AgX 3 suggest that silver(I) halides may be attractive alternatives to toxic lead halide perovskites and unstable copper(I) halides for optical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Manipulating Interlayer Excitons for Near-Infrared Quantum Light Generation

Interlayer excitons (IXs) formed at the interface of van der Waals materials possess various novel properties. In parallel development, strain engineering has emerged as an effective means for creating 2D quantum emitters. Here, exploring the intersection of these two exciting areas, we use MoS2/WSe2 heterostructure as a model system and demonstrate how strain, defects, and layering can be utilized to create defect-bound IXs capable of bright, robust, and tunable quantum light emission in the technologically important near-infrared spectral range. Our work presents defect-bound IXs as a promising platform for pushing the performance of 2D quantum emitters beyond their current limitations.

2D heterostructures↗
DOE OSTI2020

Regulating off-centering distortion maximizes photoluminescence in halide perovskites

Abstract Metal halide perovskites possess unique atomic and electronic configurations that endow them with high defect tolerance and enable high-performance photovoltaics and optoelectronics. Perovskite light-emitting diodes have achieved an external quantum efficiency of over 20%. Despite tremendous progress, fundamental questions remain, such as how structural distortion affects the optical properties. Addressing their relationships is considerably challenging due to the scarcity of effective diagnostic tools during structural and property tuning as well as the limited tunability achievable by conventional methods. Here, using pressure and chemical methods to regulate the metal off-centering distortion, we demonstrate the giant tunability of photoluminescence (PL) in both the intensity (>20 times) and wavelength (>180 nm/GPa) in the highly distorted halide perovskites [CH3NH3GeI3, HC(NH2)2GeI3, and CsGeI3]. Using advanced in situ high-pressure probes and first-principles calculations, we quantitatively reveal a universal relationship whereby regulating the level of off-centering distortion towards 0.2 leads to the best PL performance in the halide perovskites. By applying this principle, intense PL can still be induced by substituting CH3NH3+ with Cs+ to control the distortion in (CH3NH3)1-xCsxGeI3, where the chemical substitution plays a similar role as external pressure. The compression of a fully substituted sample of CsGeI3 further tunes the distortion to the optimal value at 0.7 GPa, which maximizes the emission with a 10-fold enhancement. This work not only demonstrates a quantitative relationship between structural distortion and PL property of the halide perovskites but also illustrates the use of knowledge gained from high-pressure research to achieve the desired properties by ambient methods.

halide perovskites↗
DOE OSTI2023

Atomic faulting induced exceptional cryogenic strain hardening in gradient cell–structured alloy

Coarse-grained materials are widely accepted to display the highest strain hardening and the best tensile ductility. We experimentally report an attractive strain hardening rate throughout the deformation stage at 77 kelvin in a stable single-phase alloy with gradient dislocation cells that even surpasses its coarse-grained counterparts. Contrary to conventional understanding, the exceptional strain hardening arises from a distinctive dynamic structural refinement mechanism facilitated by the emission and motion of massive multiorientational tiny stacking faults (planar defects), which are fundamentally distinct from the traditional linear dislocation–mediated deformation. In conclusion, the dominance of atomic-scale planar deformation faulting in plastic deformation introduces a different approach for strengthening and hardening metallic materials, offering promising properties and potential applications.

Gradient dislocation structure↗
DOE OSTI2023

Developing a Facile Technology for Converting Domestic US Coal into High-Value Graphene

Universal Matter Ltd. was formed in July 2019 to scale-up and commercialize a breakthrough process, Flash Joule Heating (FJH), to transform different coal grades, into high-quality graphene. This graphene is made using a high-voltage electric discharge that brings the carbon source to temperatures higher than 3,000 K in less than 10 milliseconds. The short burst of electricity breaks all chemical bonds in the feedstock and reorders the carbon atoms into exceptionally thin layers of a special type of graphene, at an estimated $100 per ton in electricity cost. This process is capable of producing 1-5 layer-thick high-quality graphene (with defects of <0.05% and purity of >99%) in a green, practical, and cost-effective process. The graphene produced in the FJH process is a very special kind of graphene called “turbostratic graphene” (TG). TG offers superior physical properties compared to other graphene structures on a similar weight basis. Unlike graphene made from graphite using traditional techniques, the graphene layers in TG stack in an irregular pattern that allows the graphene powder to be exfoliated more easily and blend more evenly within other materials. The TG produced using our FJH technology is the most economical graphene product that opens up significant large volume markets for end-use applications; it would allow the use of TG made from coal for commercial applications in several market segments including energy storage, sensors, hyper-lubricants, reinforced plastics, and building materials such as concrete.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

Influence of Powder Characteristics and Processing Methods on Creep Performance of Powder Metallurgy Hot Isostatic Pressed SS316

The U.S. nuclear energy expansion goals are driving the demand for manufacturing routes that can rapidly produce large, complex, near net shape components. Powder metallurgy hot isostatic pressing (PM HIP) is an advanced manufacturing technique that can be economically scaled-up, while alleviating the supply chain challenges that forging and casting face in terms of cost and lead time constraints. This makes PM-HIP a viable technology to aid and accelerate large-scale part manufacturing for nuclear applications. However, large-scale qualification and deployment of this technology require a thorough understanding of the influence of powder feedstock quality, powder handling history, hot isostatic pressing (HIP) parameters, and subsequent heat treatment on microstructural evolution and elevated temperature mechanical performance. The present work focusses on 316 austenitic stainless steel (SS316) which is most commonly used in high temperature environments for nuclear applications Results from this study show that PM HIPed SS316 meets ASME tensile requirements at room temperature and at elevated temperature. However, creep performance of PM-HIPed SS316 remains inferior to its wrought counterpart, demonstrating that tensile performance alone is not a reliable metric for long duration high temperature integrity. Further, this report delineates powder derived microstructural features that govern creep damage, with key evidences pointing to “microstructural inheritance” from gas atomized powder feedstocks. Commercial SS316 powders of varying chemical compositions and recycling histories were studies, and the results showed large differences in elemental segregation, oxide surface layers and secondary phase distributions. Multi-scale characterization revealed segregation of chromium, molybdenum, manganese and silicon at the boundaries and the precipitation of manganese-, silicon-, and molybdenum-oxides. During HIP consolidation, these surface oxides transform into decorated prior particle boundaries (PPBs) and grain boundary inclusions that persist through conventional post-HIP solution annealing treatment. The retained oxides in post-HIP microstructures were found to influence grain growth, precipitation behavior, and ultimately creep cavitation and fracture. Such post-HIP heat treatments are therefore limited by a complex trade-off between grain growth, and oxide coarsening which aggravate creep damage by acting as nucleation sites for cavities. The objective of this work is to establish an integrated processing–structure–property framework for PM-HIP 316 stainless steel by investigating the influence of powder feedstock characteristics in pre- and post-HIP processing as well as to understand the significance of post-HIP heat treatment on microstructural evolution and creep properties. The results from this report emphasize the significance of powder feedstock integrity in improving creep performance of PM-HIPed SS316, by highlight the effect of rapid solidification, elemental segregation, oxide formation and powder recycling on microstructural defect inheritance following HIP consolidation. Rather than considering HIP processing, solution annealing, and mechanical performance independently, this report treats powder production, HIP consolidation, post-HIP thermal processing, and creep deformation as interconnected stages within a continuous metallurgical process. The resulting framework will provide a scientific basis for developing feedstock engineering strategies capable of improving long-term reliability of PM-HIP stainless steels and accelerating their qualification for advanced nuclear applications.

Ajjarapu, Pavan [Oak Ridge National Laboratory (OR↗
NASA NTRS1974

Effect of surface topography on structural growth of thick sputtered films

Primarily thick sputtered S-Monel, silver, and 304 stainless steel coatings were deposited on mica, glass, and metal substrates with various surface finishes to investigate the structural growth of the coating by scanning electron microscopy. Compositional changes within the coating were analyzed by X-ray dispersion microscopy. Defects in the surface finish act as preferential nucleation sites and form isolated and complex nodules and various surface overgrowths in the coating. These nodules do not disappear after full annealing. Further, they have undesirable effects on mechanial properties; cracks are initiated at the nodules when the coating is stressed by mechanical forces. These effects are illustrated by micrographs. Nodular growth within a coating can be minimized or eliminated by reducing the surface roughness.

Spalvins, T.↗
NASA NTRS1984

Tensile Fracture of Ductile Materials

For brittle materials, circular voids play an important role relative to fracture, intensifing both tensile and compressive stresses. A maximum intensified tensile stress failure criterion applies quite well to brittle materials. An attempt was made to explore the possibility of extending the approach to the tensile fracture of ductile materials. The three dimensional voids that exist in reality are modelled by circular holes in sheet metal. Mathematical relationships are sought between the shape and size of the hole, after the material is plastically deformed, and the amount of deformation induced. Then, the effect of hole shape, size and orientation on the mechanical properties is considered experimentally. The presence of the voids does not affect the ultimate tensile strength of the ductile materials because plastic flow wipes out the stress intensification caused by them. However, the shape and orientation of the defect is found to play an important role in affecting the strain at fracture.

Pai, D. M.↗
NASA NTRS1990

AlSb/InAs/AlSb quantum wells

Researchers studied the InAs/AlSb system recently, obtaining 12nm wide quantum wells with room temperature mobilities up to 28,000 cm(exp 2)/V center dot S and low-temperature mobilities up to 325,000 cm(exp 2)/V center dot S, both at high electron sheet concentrations in the 10(exp 12)/cm(exp 2) range (corresponding to volume concentrations in the 10(exp 18)/cm(exp 2) range). These wells were not intentionally doped; the combination of high carrier concentrations and high mobilities suggest that the electrons are due to not-intentional modulation doping by an unknown donor in the AlSb barriers, presumably a stoichiometric defect, like an antisite donor. Inasmuch as not intentionally doped bulk AlSb is semi-insulating, the donor must be a deep one, being ionized only by draining into the even deeper InAs quantum well. The excellent transport properties are confirmed by other observations, like excellent quantum Hall effect data, and the successful use of the quantum wells as superconductive weak links between Nb electrodes, with unprecendentedly high critical current densities. The system is promising for future field effect transistors (FETs), but many processing problems must first be solved. Although the researchers have achieved FETs, the results so far have not been competitive with GaAs FETs.

Kroemer, Herbert↗
NASA NTRS2002

Initial Assessment of the Effects of Nonmetallic Inclusions on Fatigue Life of Powder-Metallurgy-Processed Udimet(TM) 720

The fatigue lives of modern powder metallurgy (PM) disk alloys are influenced by variabilities in alloy microstructure and mechanical properties. These properties can vary due to the different steps of materials/component processing and machining. One of these variables, the presence of nonmetallic inclusions, has been shown to significantly degrade low-cycle fatigue (LCF) life. Nonmetallic inclusions are inherent defects in powder alloys that are a by-product of powder-processing techniques. Contamination of the powder can occur in the melt, during powder atomization, or during any of the various handling processes through consolidation. In modern nickel disk powder processing facilities, the levels of inclusion contamination have been reduced to less than 1 part per million by weight. Despite the efforts of manufacturers to ensure the cleanliness of their powder production processes, the presence of inclusions remains a source of great concern for the designer. the objective of this study was to investigate the effects on fatigue life of these inclusions. Since natural inclusions occur so infrequently, elevated levels of inclusions were carefully introduced in a nickel-based disk superalloy, Udimet 720 (registered trademark of Special Metals Corporation), produced using PM processing. Multiple strain-controlled fatigue tests were then performed on this material at 650 C. Analyses were performed to compare the LCF lives and failure initiation sites as functions of inclusion content and fatigue conditions. A large majority of the failures in specimens with introduced inclusions occurred at cracks initiating from inclusions at the specimen surface. The inclusions could reduce fatigue life by up to 100 times. These effects were found to be dependent on strain range and strain ratio. Tests at lower strain ranges and higher strain ratios produced larger effects of inclusions on life.

Gabb, T. P.↗
NASA NTRS2010

NASA-JSC Protocol for the Characterization of Single Wall Carbon Nanotube Material Quality

It is well known that the raw as well as purified single wall carbon nanotube (SWCNT) material always contain certain amount of impurities of varying composition (mostly metal catalyst and non-tubular carbon). Particular purification method also creates defects and/or functional groups in the SWCNT material and therefore affects the its dispersability in solvents (important to subsequent application development). A number of analytical characterization tools have been used successfully in the past years to assess various properties of nanotube materials, but lack of standards makes it difficult to compare these measurements across the board. In this work we report the protocol developed at NASA-JSC which standardizes measurements using TEM, SEM, TGA, Raman and UV-Vis-NIR absorption techniques. Numerical measures are established for parameters such as metal content, homogeneity, thermal stability and dispersability, to allow easy comparison of SWCNT materials. We will also report on the recent progress in quantitative measurement of non-tubular carbon impurities and a possible purity standard for SWCNT materials.

Arepalli, Sivaram↗