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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

A simple rectangular element for two-dimensional analysis of laminated composites

A simple rectangular finite element was developed for two-dimensional analysis of laminated composite materials. The rectangular laminated composite element eliminates the need to add elements to a model simply to account for the material properties of various laminae. This is particularly advantageous for thick laminates with many lamina. Explicit integration in terms of generalized displacements minimizes the algebraic effort required to derive the element stiffness and the thermal load vector. A substitute shape function technique is used to improve the performance of the element in modeling bending type deformation. Results for several example problems are discussed.

Whitcomb, J. D.↗
DOE OSTI2021

Polypeptide organic radical batteries

In only a few decades, lithium-ion batteries have revolutionized technologies, enabling the proliferation of portable devices and electric vehicles, with substantial benefits for society. However, the rapid growth in technology has highlighted the ethical and environmental challenges of mining lithium, cobalt and other mineral ore resources, and the issues associated with the safe usage and non-hazardous disposal of batteries. Only a small fraction of lithium-ion batteries are recycled, further exacerbating global material supply of strategic elements. A potential alternative is to use organic-based redox-active materials to develop rechargeable batteries that originate from ethically sourced, sustainable materials and enable on-demand deconstruction and reconstruction. Making such batteries is challenging because the active materials must be stable during operation but degradable at end of life. Further, the degradation products should be either environmentally benign or recyclable for reconstruction into a new battery. Here we demonstrate a metal-free, polypeptide-based battery, in which viologens and nitroxide radicals are incorporated as redox-active groups along polypeptide backbones to function as anode and cathode materials, respectively. These redox-active polypeptides perform as active materials that are stable during battery operation and subsequently degrade on demand in acidic conditions to generate amino acids, other building blocks and degradation products. Here, such a polypeptide-based battery is a first step to addressing the need for alternative chemistries for green and sustainable batteries in a future circular economy.

25 ENERGY STORAGE↗
DOE OSTI2023

Nuclear fuel elements including protective structures, and related method of forming a nuclear fuel element

A nuclear fuel element includes a core comprising a fissile element and an additional element. A protective structure surrounds the core and comprises at least a first material surrounding the nuclear fuel. The first material comprises the fissile element and the additional element and comprises a greater than stoichiometric amount of the additional element. An outer portion of the nuclear fuel element comprises a metal. Related nuclear fuel elements, and related methods are also disclosed.

Griffith, George W.↗
DOE OSTI2021

Inorganic characterization of switchgrass biomass using laser-induced breakdown spectroscopy

The inorganic characterization of 74 samples of switchgrass using laser-induced breakdown spectroscopy (LIBS) was undertaken. Determination of ash and inorganic elements content in biomass materials is vital for feedstock screening for bioconversion processes. Hierarchical models using principal component analysis (PCA) and partial least square analysis (PLS) were used to determine the presence of specific elemental micronutrients that are important in determining plant health for robust biomass production. LIBS uses a 532 nm laser with 45 mJ of laser power to excite the samples of switchgrass plant material and the emission of all the elements present in the plant samples were recorded in single spectra with a wide wavelength range of 200–800 nm. The results were compared to the laboratory standard technique, e.g., ICP-OES technique, to determine the true values for major micronutrients such as, silicon (Si), potassium (K), calcium (Ca), magnesium (Mg), phosphorus (P), and sulfur (S). Overall, our objectives were: 1) To determine the spectral features of switchgrass containing different amounts of these elements and 2) To examine the viability of this technique for determining the quality of the feedstock in terms of its inorganic composition. Cross-validation results showed that the broad-based model developed is promising for inorganics prediction in switchgrass. The LIBS validation prediction for the micronutrient elements mentioned here have been obtained. The regression coefficients for Si, were obtained to be 0.995, 0.994 for calibration and validation respectively, in case of Ca the regression coefficients were, 0.994 and 0.992 for calibration and validation. Similarly, in the case of Mg and K these were calculated to be 0.992 and 0.985, and 0.994 and 0.993 respectively. The regression coefficients are not as good as those for the elements mentioned, in case of the two elements S and P. They are 0.957, and 0.878, and 0.952 and 0.894 respectively for calibration, validation for the two elements. This demonstrates that LIBS-based techniques are inherently well suited for diverse environmental applications. Furthermore, LIBS along with PLS model can show capability in determining the viability of switchgrass as a biomass in the production of biofuels and survivability of switchgrass in processes associated with climate change. LIBS can help determining which switchgrass would be appropriate for a specific conversion process that favors low ash content overall or low value of specific inorganics.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Superconductivity in a uranium containing high entropy alloy

Abstract High entropy alloys (HEA) are an unusual class of materials where mixtures of elements are stochastically arrayed on a simple crystalline lattice. These systems exhibit remarkable functionality, often along several distinct axes: e.g., the examples [TaNb] 1-x (TiZrHf) x are high strength and damage resistant refractory metals that also exhibit superconductivity with large upper critical fields. Here we report the discovery of an f -electron containing HEA, [TaNb] 0.31 (TiUHf) 0.69 , which is the first to include an actinide ion. Similar to the Zr-analogue, this material crystallizes in a body-centered cubic lattice with the lattice constant a = 3.41(1) Å and exhibits phonon mediated superconductivity with a transition temperatures T c ≈ 3.2 K and upper critical fields H c2 ≈ 6.4 T. These results expand this class of materials to include actinide elements, shows that superconductivity is robust in this sub-group, and opens the path towards leveraging HEAs as functional waste forms for a variety of radioisotopes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1984

Single-drop impact damage prediction for low density, coated ceramic materials

A technique utilizing finite element analysis, liquid impact kinematics, and momentum theory is described and compared to single-drop impact test data performed on various configurations of coated ceramic material. The method correlates well with test data and is useful in predicting the single-drop impact damage velocity threshold for low-density, coated ceramic materials.

Mustelier, D.↗
NASA NTRS2013

A Comparison of Materials Issues for Cermet and Graphite-Based NTP Fuels

This paper compares material issues for cermet and graphite fuel elements. In particular, two issues in NTP fuel element performance are considered here: ductile to brittle transition in relation to crack propagation, and orificing individual coolant channels in fuel elements. Their relevance to fuel element performance is supported by considering material properties, experimental data, and results from multidisciplinary fluid/thermal/structural simulations. Ductile to brittle transition results in a fuel element region prone to brittle fracture under stress, while outside this region, stresses lead to deformation and resilience under stress. Poor coolant distribution between fuel element channels can increase stresses in certain channels. NERVA fuel element experimental results are consistent with this interpretation. An understanding of these mechanisms will help interpret fuel element testing results.

Nuclear Propulsion↗
DOE OSTI2022

Finite Element Modeling of Diffusion in Fractured Porous Media by Using Hierarchical Material Properties

Abstract Fractured porous media challenge modeling approaches due to high computational costs and excessive mesh refinement imposed by the extreme scale variability of fractures and the heterogeneity of the surrounding porous rock. To overcome such difficulties, we utilize the hierarchical finite element method ( Hi ‐FEM) that has been developed previously to simulate the electrical potential distribution in complex geologic environments. The method employs the hierarchical basis functions in classical finite element analysis to enable representation of material properties on each dimensional component of a given 3D unstructured finite element, thereby inherently allowing for interactions at the boundary between fracture and a host rock. In this study, we extend its application to transient fluid flow and heat conduction in the Laplace domain. Time‐domain flow solutions are obtained by numerical inverse Laplace transform. We evaluate the accuracy of the method using different flow models and demonstrate its robustness for large‐scale, rock mass models featuring complex fracture networks. Moreover, for the computation of nodal Darcian velocity fields in fractured porous media where the fractures are represented as 2D features, a new approach that employs the Yeh's Galerkin model for both volume and facet elements is proposed. Results show that Hi ‐FEM can produce accurate flow solutions for fractured porous media without any need of coupling or transfer mechanism while still being computationally economical and numerically robust, even for large‐scale simulations.

Beskardes, G. D.↗
DOE OSTI2020

Predicting Elastic Properties of Materials from Electronic Charge Density Using 3D Deep Convolutional Neural Networks

Materials representation plays a key role in machine learning-based prediction of materials properties and new materials discovery. Currently both graph and three-dimensional (3D) voxel representation methods are based on the heterogeneous elements of the crystal structures. Here, we propose to use electronic charge density (ECD) as a generic unified 3D descriptor for materials property prediction with the advantage of possessing close relation with the physical and chemical properties of materials. We developed an ECD-based 3D convolutional neural networks (CNNs) for predicting the elastic properties of materials, in which CNNs can learn effective hierarchical features with multiple convolving and pooling operations. Extensive benchmark experiments over 2170 $Fm\bar3m$ face-centered-cubic materials show that our ECD-based CNNs can achieve good performance for elasticity prediction. Especially, our CNN models based on the fusion of elemental Materials-Agnostic Platform for Informatics and Exploration features and ECD descriptors achieved the best fivefold cross-validation performance. More importantly, we showed that our ECD-based CNN models can achieve significantly better extrapolation performance when evaluated over nonredundant data sets, where there are few neighbor-training samples around test samples. As an additional validation, we evaluated the predictive performance of our models on 329 materials of space group $Fm\bar3m$ by comparing to density functional theory calculated values, which shows a better prediction power of our model for bulk modulus than shear modulus. Because of the unified representation power of ECD, it is expected that our ECD-based CNN approach can also be applied to predict other physical and chemical properties of crystalline materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A New Family of Ternary Intermetallic Compounds with Dualistic Atomic Ordering – The ZIP Phases

A new family of nanostructured ternary intermetallic compounds − named the ZIP phases − is introduced in this work. The ZIP phases exhibit dualistic atomic ordering, i.e., they form two structural variants: one with the fcc diamond cubic structure (space group Fd$\bar{3}$m) and one with the hexagonal structure (space group P6 3 /mmc). They are also characterized by metallic behavior, ionic bonding, and atomic zigzagging. Powder metallurgical routes involving pressure-assisted densification are adopted to demonstrate ZIP phase synthesis in the Nb-Si-Ni, Nb-Si-Co, Ta-Si-Ni, V-Si-Ni, and Nb-Si-Fe ternary systems. Crucially, reactive hot pressing is capable of producing high-purity ZIP phase materials after the judicious, elemental system-specific optimization of the processing route. Synthesis of phase-pure materials – demonstrated in the Nb-Si-Ni ternary system by the synthesis of quasi phase-pure Nb 3 SiNi 2 and Ni 3 SiNb 2 ZIP phase-based materials – is a steppingstone to the prospective exploitation of the ZIP phases. Characterization of Nb 3 SiNi 2 and Ni 3 SiNb 2 involves crystal structure determination, spatially resolved chemical analysis, and determination of select thermal, electrical, magnetic, mechanical, and physical properties. Density functional theory is used to assess the stability of Nb 3 SiNi 2 & Ni 3 SiNb 2 and derivative binary compounds at different temperatures, also exploring the exfoliation of these two ZIP phases along specific surfaces to produce 2D derivatives.

Intermetallic compounds (IMCs)↗
DOE OSTI2021

The Effect of Material Properties on Oxygen Evolution Activity and Assessing Half-Cell Screening as a Predictive Tool in Electrolysis

Iridium-based oxygen evolution catalysts are screened in this study for activity and stability with rotating disk electrode (RDE) half-cells. This study focuses on the electrochemical and materials approaches needed to characterize oxygen evolution catalysts, and include testing for activity, stability, composition, oxide content, and structure. Findings also discuss recommendations for data interpretation and detail the difficulties of comparing catalysts across materials sets with different elemental and oxide compositions, and linking RDE activity to device-level performance. The materials evaluated are a mixture of oxides and metals, and several methods are used to quantify metal content, qualitatively assess oxide content, and determine total surface area. Oxygen evolution activities and stabilities are compared, where a wide range of results are reported. In general, higher RDE performances are found for catalysts that contained larger amounts of ruthenium and metals. Higher durability, however, is found for catalysts that only contained iridium and a higher proportion of oxides. Additionally, catalysts are evaluated for performance in membrane electrode assemblies to assess RDE as a predictive tool in electrolysis. While activity trends within individual material sets generally held between ex- and in-situ testing, RDE tends to overestimate the activity of more metallic catalysts when compared to device-level performance. These results stress the need for multiple metal/oxide baselines for mixed catalysts, to better project in-situ kinetics.

36 MATERIALS SCIENCE↗
NASA NTRS1988

Pratt and Whitney cryogenic turbopump bearing experience

Successful, reusable bearings require lubrication, traditionally, a transfer film from sacrificial cage wear. Early testing included materials screening programs to identify suitable cryogenic cage materials. A specially developed element tester that simulated the function of a ball bearing cage was used. Suitable materials must provide lubrication with an acceptably low wear rate, without abrading contacting surfaces. The most promising materials were tested in full scale bearings at speeds up to 4 MDN. Teflon, filled with 40 percent bronze powder, was the best performing material. A variety of bearings were designed and successfully tested in LH2 and LOX. Bearings with bronze filled Teflon cages were successfully tested for 150 hrs. In overload tests, the same design was tested for 5 hrs at maximum Hertz stresses above 450 ksi and an additional 5 hrs with a maximum Hertz stress exceeding 500 ksi. Four bearings were tested in LOX for 25 hrs, with a maximum time per bearing of 10 hrs.

Poole, W. E.↗
NASA NTRS1992

Hermetic Glass-To-Metal Seal For Instrumentation Window

Proposed mounting scheme for optical element of instrumentation window in pressure vessel ensures truly hermetic seal while minimizing transmission of stress to optical element. Brazed metal seal superior to conventional gaskets of elastomer, carbon, asbestos, or other material compressed between optical element and wall of vessel. Concentric brazed joints in proposed seal bond metal ring to wall of vessel and to optical element. U-shaped cross section allows ring to flex under pressure.

Hill, Arthur J.↗
NASA NTRS2005

Study of Electromagnetic Scattering From Material Object Doped Randomly With Thin Metallic Wires Using Finite Element Method

A new numerical simulation method using the finite element methodology (FEM) is presented to study electromagnetic scattering due to an arbitrarily shaped material body doped randomly with thin and short metallic wires. The FEM approach described in many standard text books is appropriately modified to account for the presence of thin and short metallic wires distributed randomly inside an arbitrarily shaped material body. Using this modified FEM approach, the electromagnetic scattering due to cylindrical, spherical material body doped randomly with thin metallic wires is studied.

Deshpande, Manohar D.↗
NASA NTRS2004

An aerobot for global in situ exploration of Titan

This paper describes the design and component testing of an aerobot that would be capable of global in situ exploration of Saturn's moon, Titan, over a 6 to 12 month mission lifetime. The proposed aerobot is a propeller-driven, buoyant vehicle that resembles terrestrial airships. However, the extremely cold Titan environment requires the use of cryogenic materials of construction and careful thermal design for protection of temperature-sensitive payload elements. Multiple candidate balloon materials have been identified based on extensive laboratory testing at 77 K. The most promising materials to date are laminates comprised of polyester fabrics and/or films with areal densities in the range of 40-100 g/m2. The aerobot hull is a streamlined ellipsoid 14 meters in length with a maximum diameter of 3 meters. The enclosed volume of 60 m3 is sufficient to float a mass of 234 kg at a maximum altitude of 8 km at Titan. Forward and aft ballonets are located inside the hull to enable the aerobot to descend to the surface while preserving a fully inflated streamlined shape. Altitude changes are effected primarily through thrust vectoring of the twin main propellers, with pressure modulated buoyancy change via the ballonets available as a slower backup option. A total of 100 W of electrical power is provided to the vehicle by a radioisotope power supply. Up to half of this power is available to the propulsion system to generate a top flight speed in the range of 1-2 m/s. This speed is expected to be greater than the near surface winds at Titan, enabling the aerobot to fly to and hover over targets of interest. A preliminary science payload has been devised for the aerobot to give it the capability for aerial imaging of the surface, atmospheric observations and sampling, and surface sample acquisition and analysis. Targeting, hovering, surface sample acquisition and vehicle health monitoring and automatic safing actions will all require significant on-board autonomy due to the over two hour round trip light time between Titan and Earth. An autonomy architecture and a core set of perception, reasoning and control technologies is under development using a free-flying airship testbed of approximately the same size as the proposed Titan aerobot. Data volume from the Titan science mission is expected to be on the order of 100-300 Mbit per day transmitted either direct to Earth through an 0.8 m high gain antenna or via an orbiter relay using an omni-directional antenna on the aerobot.

mobility↗
NASA NTRS2004

An aerobot for global in situ exploration of Titan

This paper describes the design and component testing of an aerobot that would be capable of global in situ exploration of Saturn's moon, Titan, over a 6 to 12 month mission lifetime. The proposed aerobot is a propeller-driven, buoyant vehicle that resembles terrestrial airships. However, the extremely cold Titan environment requires the use of cryogenic materials of construction and careful thermal design for protection of temperature-sensitive payload elements. Multiple candidate balloon materials have been identified based on extensive laboratory testing at 77 K.

aerobot↗