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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Material lessons of biology: structure function studies of protein sequences involved in inorganic composite material formation. Final Technical Report

This focus of this grant is to study the interrelationships between proteins that form the high performance bioceramic nacre layer of the mollusc shell. In particular during this grant period we investigated (1) the interactivity between two framework nacre proteins, n16.3 and Pif97 of the Japanese pearl oyster, Pinctada fucata, and (2) the incorporation and subsequent material property modifications that accompany the intracrystalline incorporation of two nacre proteins, AP7 (H. rufescens) and n16.3 (P. fucata).

36 MATERIALS SCIENCE↗
DOE OSTI2024

Oak Ridge National Laboratory Thermoplastic Composite Joining of Pultruded Continuous Fiber Spars for Multi-Functional Battery Enclosure

Oak Ridge National Laboratory (ORNL) worked with DowAksa Industry to investigate the potential of using PA66 material to produce larger composite parts, transcending the limitations of traditional presses. The project aimed to develop a suitable material for printing battery boxes using Nylon 66 infused with 40 wt.% carbon fiber, compatible with the ORNL Additive Manufacturing and Compression Molding (AM-CM) system. However, even with extensive work, it was concluded that the material is not compatible with the AMCM process and suitable for joining using compression technique. Main reason for the incompatibility were found to be very high crystallinity of the PA66 grade chosen for this work. To improve printability, a modifier (proprietary) was added to decrease crystallinity, but this led to reduced thermal stability and adhesion issues.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Composition Dependence of the Flory–Huggins Interaction Parameters of Block Copolymer Electrolytes and the Isotaksis Point

The thermodynamics of block copolymer/salt mixtures were quantified through the application of Leibler’s random phase approximation to disordered small-angle X-ray scattering profiles. The experimental system is comprised of polystyrene-block-poly(ethylene oxide) (SEO) mixed with lithium bis(trifluoromethanesulfonyl)imide salt (LiTFSI), SEO/LiTFSI. The Flory–Huggins interaction parameter determined from scattering experiments, χ SC , was found to be a function of block copolymer composition, chain length, and temperature for both salt-free and salty systems. In the absence of salt, χ 0,SC is a linear function of (N$f_{EO}$) -1 ; in the presence of salt, a linear approximation is used to describe the effect of salt on χ eff,SC for a given copolymer composition and chain length. The theory of Sanchez was used to determine χ eff from χ eff,SC to predict the boundary between order and disorder as a function of chain length, block copolymer composition, salt concentration, and temperature. At fixed temperature (100 °C), N crit , the chain length of SEO at the order–disorder transition in SEO/LiTFSI mixtures, was predicted as a function of the volume fraction of the salt-containing poly(ethylene oxide)-rich microphase, $f_{EO,salt,}$ and salt concentration. At $f_{EO,salt,}$ > 0.27, the addition of salt stabilizes the ordered phase; at $f_{EO,salt,}$ < 0.27, the addition of salt stabilizes the disordered phase. We propose a simple theoretical model to predict the block copolymer composition at which phase behavior is independent of salt concentration ($f_{EO,salt,}$ = 0.27). Here, we refer to this composition as the “isotaksis point”.

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

Functionally graded magnetic materials: a perspective to advance charged particle optics through compositional engineering

Additive manufacturing has ushered in a new paradigm of bottom-up materials-by-design of spatially non-uniform materials. Functionally graded materials have locally tailored compositions to provide optimized global properties and performance. In this letter, we propose an opportunity for the application of graded magnetic materials as lens elements for charged particle optics. A Hiperco50/Hymu80 (FeCo-2 V/Fe-80Ni-5Mo) graded magnetic alloy was successfully additively manufactured via Laser Directed Energy Deposition with spatially varying magnetic properties. The compositional gradient is then applied using computational simulations to demonstrate how a tailored material can enhance the magnetic performance of a critical, image-forming component of a transmission electron microscope.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Work function of bulk-insulating topological insulator Bi{sub 2–x}Sb{sub x}Te{sub 3–y}Se{sub y}

Recent discovery of bulk insulating topological insulator (TI) Bi{sub 2–x}Sb{sub x}Te{sub 3–y}Se{sub y} paved a pathway toward practical device application of TIs. For realizing TI-based devices, it is necessary to contact TIs with a metal. Since the band-bending at the interface dominates the character of devices, knowledge of TIs' work function is of essential importance. We have determined the compositional dependence of the work function in Bi{sub 2–x}Sb{sub x}Te{sub 3–y}Se{sub y} by high-resolution photoemission spectroscopy. The obtained work-function values (4.95–5.20 eV) track the energy shift of the surface chemical potential seen by angle-resolved photoemission spectroscopy. The present result serves as a useful guide for developing TI-based electronic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Patterning of magneto-optical nanomaterials

Patterning of colloidal particles in precisely organized architectures has attracted intense research interest for decades. This is due to their potential applications in flexible electronics, magnetic and optical devices, sensors, biotechnology, communications, etc. However, creation of mesoscale assemblies at commercial scale received less attention. The mesoscale systems reside between the micro- and macroscopic scales, with length dimensions from ≈ 100 um to 5mm. One way to create mesoscale materials is to leverage decades of experimental and theoretical research in nanomaterials field that allows us to precisely create and control the placement of nanoscale materials. We developed a versatile and automatic mesoscale patterning technology that provide precise and consistent control and special arrangement of functional nanomaterials. The versatility of the strategy is demonstrated by patterning nanoparticles with different dimensions, shapes and compositions, tethered with various functionalities and subjected to different external stimuli. Nanomaterials were created via the paten t pending automated flow-throughput domain process (AFTDP), aka nano-additive manufacturing approach, recently developed by us, based on a unique small-scale fluidics concept, that enables a uniform reaction environment for production of high-quality materials in large quantities.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Patterning of magneto-optical nanomaterials

Patterning of colloidal particles in precisely organized architectures has attracted intense research interest for decades. This is due to their potential applications in flexible electronics, magnetic and optical devices, sensors, biotechnology, communications, etc. However, creation of mesoscale assemblies at commercial scales have received less attention. The mesoscale systems reside between the micro- and macroscopic scales, with length dimensions from ≈ 100 µm to 5 mm. By leveraging decades of experimental and theoretical research in nanomaterial fields, we were able to precisely create and control the placement of nanoscale materials, allowing us to create mesoscale materials. We developed a versatile and automatic mesoscale patterning technology (via SEM-FIB and 3D printing) that provides precise and consistent control and special arrangement of functional nanomaterials. The versatility of the strategy is demonstrated by patterning nanoparticles with different dimensions, shapes and compositions, tethered with various functionalities and subjected to different external stimuli.

42 ENGINEERING↗
DOE OSTI2015

Climate change alters plant biogeography in Mediterranean prairies along the West Coast, USA

Abstract Projected changes in climate are expected to have widespread effects on plant community composition and diversity in coming decades. However, multisite, multifactor climate manipulation studies that have examined whether observed responses are regionally consistent and whether multiple climate perturbations are interdependent are rare. Using such an experiment, we quantified how warming and increased precipitation intensity affect the relative dominance of plant functional groups and diversity across a broad climate gradient of Mediterranean prairies. We implemented a fully factorial climate manipulation of warming (+2.5–3.0 °C) and increased wet‐season precipitation (+20%) at three sites across a 520‐km latitudinal gradient in the Pacific Northwest, USA . After seeding with a nearly identical mix of native species at all sites, we measured plant community composition (i.e., cover, richness, and diversity), temperature, and soil moisture for 3 years. Warming and the resultant drying of soils altered plant community composition, decreased native diversity, and increased total cover, with warmed northern communities becoming more similar to communities further south. In particular, after two full years of warming, annual cover increased and forb cover decreased at all sites mirroring the natural biogeographic pattern. This suggests that the extant climate gradient of increasing heat and drought severity is responsible for a large part of the observed biogeographic pattern of increasing annual invasion in US West Coast prairies as one moves further south. Additional precipitation during the rainy season did little to relieve drought stress and had minimal effects on plant community composition. Our results suggest that the projected increase in drought severity (i.e., hotter, drier summers) in Pacific Northwest prairies may lead to increased invasion by annuals and a loss of forbs, similar to what has been observed in central and southern California, resulting in novel species assemblages and shifts in functional composition, which in turn may alter ecosystem functions.

Pfeifer‐Meister, Laurel↗
DOE OSTI2013

Ni(NiO)/single-walled carbon nanotubes composite: Synthesis of electro-deposition, gas sensing property for NO gas and density functional theory calculation

Graphical abstract: The Ni(NiO)/semiconducting single-walled carbon nanotubes composite collected from the cathode after electro-deposition shows a high sensitivity to low-concentration NO gas at room temperature (18 °C). Display Omitted Highlights: ► Ni(NiO) nanoparticles were deposited on semiconducting SWCNTs by electro-deposition. ► Ni(NiO)/semiconducting SWCNTs film shows a high sensitivity to NO gas at 18 °C. ►Theoretical calculation reveals electron transfer from SWCNTs to NO via Ni. -- Abstract: Single-walled carbon nanotubes which contains metallic SWCNTs (m-SWCNTs) and semiconducting SWCNTs (s-SWCNTs) have been obtained under electric arc discharge. Their separation can be effectively achieved by the electro-deposition method. The Ni(NiO)/s-SWCNTs composite was found on cathode where Ni was partially oxidized to NiO at ambient condition with Ni(NiO) nanoparticles deposited uniformly on the bundles of SWCNTs. These results were confirmed by Raman spectra, transmission electron microscopy (TEM), scanning electron microscopy (SEM), UV–vis–NIR and TG characterizations. Furthermore, investigation of the gas sensing property of Ni(NiO)/s-SWCNTs composite film to NO gas at 18 °C demonstrated the sensitivity was approximately 5% at the concentration of 97 ppb. Moreover, density functional theory (DFT) calculations were performed to explore the sensing mechanism which suggested the adsorption of NO molecules onto the composite through N–Ni interaction as well as the proposition of electron transfer mechanisms from SWCNTs to NO via the Ni medium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Bootstrapping outperforms community‐weighted approaches for estimating the shapes of phenotypic distributions

Abstract Estimating phenotypic distributions of populations and communities is central to many questions in ecology and evolution. These distributions can be characterized by their moments (mean, variance, skewness and kurtosis) or diversity metrics (e.g. functional richness). Typically, such moments and metrics are calculated using community‐weighted approaches (e.g. abundance‐weighted mean). We propose an alternative bootstrapping approach that allows flexibility in trait sampling and explicit incorporation of intraspecific variation, and show that this approach significantly improves estimation while allowing us to quantify uncertainty. We assess the performance of different approaches for estimating the moments of trait distributions across various sampling scenarios, taxa and datasets by comparing estimates derived from simulated samples with the true values calculated from full datasets. Simulations differ in sampling intensity (individuals per species), sampling biases (abundance, size), trait data source (local vs. global) and estimation method (two types of community‐weighting, two types of bootstrapping). We introduce the traitstrap R package, which contains a modular and extensible set of bootstrapping and weighted‐averaging functions that use community composition and trait data to estimate the moments of community trait distributions with their uncertainty. Importantly, the first function in the workflow, trait_fill , allows the user to specify hierarchical structures (e.g. plot within site, experiment vs. control, species within genus) to assign trait values to each taxon in each community sample. Across all taxa, simulations and metrics, bootstrapping approaches were more accurate and less biased than community‐weighted approaches. With bootstrapping, a sample size of 9 or more measurements per species per trait generally included the true mean within the 95% CI. It reduced average percent errors by 26%–74% relative to community‐weighting. Random sampling across all species outperformed both size‐ and abundance‐biased sampling. Our results suggest randomly sampling ~9 individuals per sampling unit and species, covering all species in the community and analysing the data using nonparametric bootstrapping generally enable reliable inference on trait distributions, including the central moments, of communities. By providing better estimates of community trait distributions, bootstrapping approaches can improve our ability to link traits to both the processes that generate them and their effects on ecosystems.

Maitner, Brian S.↗
DOE OSTI2015

Obtaining ultimate functionalities in nanocomposites: Design, control, and fabrication

We report that emergent behavior can be achieved in composites by interfacing different materials at the nano- or mesoscales. Integrating different materials on a single platform or forming composite provides a new design paradigm to yield enhanced or novel functionalities that cannot be obtained in individual constituents. Nanocomposites, in particular, have been model systems for enhancing interface effects on physical properties because they provide reduced dimensionality or enlarged interfacial areas. To fabricate technologically relevant multifunctional materials, one needs to understand and control the interactions in different materials by manipulating interfaces at the nano- or mesoscales. Here, this issue of MRS Bulletin focuses on nanocomposites, with an emphasis on approaches to the design and control of the functionalities of composite materials through controlled synthesis and advanced characterization in concert with simulation and modeling.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Multifunctional curing agents and their use in improving strength of composites containing carbon fibers embedded in polymeric matrix

A functionalized carbon fiber having covalently bound on its surface a sizing agent containing epoxy groups, at least some of which are engaged in covalent bonds with crosslinking molecules, wherein each of said crosslinking molecules possesses at least two epoxy-reactive groups and at least one free functional group reactive with functional groups of a polymer matrix in which the carbon fiber is to be incorporated, wherein at least a portion of said crosslinking molecules are engaged, via at least two of their epoxy-reactive groups, in crosslinking bonds between at least two epoxy groups of the sizing agent. Composites comprised of these functionalized carbon fibers embedded in a polymeric matrix are also described. Methods for producing the functionalized carbon fibers and composites thereof are also described.

Vautard, Frederic↗
DOE OSTI2022

A Subspace-Inclusive Sampling Method for the Computational Design of Compositionally Graded Alloys

Abstract Compositionally graded alloys, a subclass of functionally graded materials (FGMs), utilize localized variations in composition with a single metal part to achieve higher performance than traditional single material parts. In previous work [Kirk, T., Galvan, E., Malak, R., and Arroyave, R., 2018, “Computational Design of Gradient Paths in Additively Manufactured Functionally Graded Materials,” J. Mech. Des., 140, p. 111410. 10.1115/1.4040816], the authors presented a computational design methodology that avoids common issues which limit a gradient alloy’s feasibility, such as deleterious phases, and optimizes for performance objectives. However, the previous methodology only samples the interior of a composition space, meaning designed gradients must include all elements in the space throughout the gradient. Because even small amounts of additional alloying elements can introduce new deleterious phases, this characteristic often neglects potentially simpler solutions to otherwise unsolvable problems and, consequently, discourages the addition of new elements to the state space. The present work improves upon the previous methodology by introducing a sampling method that includes subspaces with fewer elements in the design search. The new method samples within an artificially expanded form of the state space and projects samples outside the true region to the nearest true subspace. This method is evaluated first by observing the sample distribution in each subspace of a 3D, 4D, and 5D state space. Next, a parametric study in a synthetic 3D problem compares the performance of the new sampling scheme to the previous methodology. Lastly, the updated methodology is applied to design a gradient from stainless steel to equiatomic NiTi that has practical uses such as embedded shape memory actuation and for which the previous methodology fails to find a feasible path.

Engineering↗
DOE OSTI2010

Spectroscopic ellipsometric analysis of ZnSe{sub 1-x}O{sub x} layers with different O compositions

In this study, ZnSe{sub 1-x}O{sub x} layers with oxygen contents of up to 7.0% are successfully grown at 300 deg. C on semi-insulating GaAs substrates by molecular beam epitaxy. The deposited ZnSe{sub 1-x}O{sub x} films are characterized by Raman spectroscopy and the optical properties studied by spectroscopic ellipsometry. We examine the complex dielectric function obtained by spectroscopic ellipsometry in the photon range from 1.5 to 5 eV. The shifting and broadening of the critical points in the ZnSe{sub 1-x}O{sub x} epilayers as a function of the O composition are investigated for the first time. The characteristics of the peaks change as the O composition increases. The second derivative of the dielectric function is presented and analyzed. The dielectric function spectra reveal distinct structures which can be attributed to the band gap and optical transitions at higher energy.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Structural Analysis of Novel Lignin-derived Carbon Composite Anodes

The development of novel lignin-based carbon composite anodes consisting of nanocrystalline and amorphous domains motivates the understanding of a relationship of the structural properties characterizing these materials, such as crystallite size, intracrystallite dspacing, crystalline volume fraction and composite density, with their pair distribution functions (PDF), obtained from both molecular dynamics simulation and neutron scattering. A model for these composite materials is developed as a function of experimentally measurable parameters and realized in fifteen composite systems, three of which directly match all parameters of their experimental counterparts. The accurate reproduction of the experimental PDFs using the model systems validates the model. The decomposition of the simulated PDFs provides an understanding of each feature in the PDF and allows for the development of a mapping between the defining characteristics of the PDF and the material properties of interest.

McNutt, Nicholas W↗
DOE OSTI2014

Microstructural Development and Mechanical Properties for Reactive Air Brazing of ZTA to Ni Alloys using Ag-CuO Braze Alloys

Reactive air brazing (RAB) is a potential joining technique to join metal alloys to ceramics for a variety of applications. In the current study, nickel (Ni) alloys were heat treated to form an oxide layer prior to RAB joining to zirconia toughened alumina (ZTA). The Ni alloys evaluated were Nicrofer 6025 HT, Inconel 600, Inconel 693, Haynes 214 and Inconel 601. The ZTA studied had compositions of 0 to 15 wt% zirconia and 0 to 14 wt% glass. Four point-bend tests were performed to evaluate the joint strength of ZTA/ZTA and ZTA/nickel alloys brazed with Ag-2wt% CuO braze alloys. It was determined that the joint strength is not a function of the ZTA composition, but that the strength is a strong function of the chemistry and microstructure of the oxide layer formed on the nickel alloy. It was determined that an increase in the aluminum content of the Ni alloy resulted in an increase of the thickness of alumina in the oxide layer and was directly proportional to the bond strength with the exception of Inconel 601 which exhibited relatively high joint strengths even though it had a relatively low aluminum content.

Ag-CuO↗
DOE OSTI2020

Material Extrusion Additive Manufacturing of Wood and Lignocellulosic Filled Composites

Wood and lignocellulosic-based material components are explored in this review as functional additives and reinforcements in composites for extrusion-based additive manufacturing (AM) or 3D printing. The motivation for using these sustainable alternatives in 3D printing includes enhancing material properties of the resulting printed parts, while providing a green alternative to carbon or glass filled polymer matrices, all at reduced material costs. Previous review articles on this topic have focused only on introducing the use of natural fillers with material extrusion AM and discussion of their subsequent material properties. This review not only discusses the present state of materials extrusion AM using natural filler-based composites but will also fill in the knowledge gap regarding state-of-the-art applications of these materials. Emphasis will also be placed on addressing the challenges associated with 3D printing using these materials, including use with large-scale manufacturing, while providing insight to overcome these issues in the future.

36 MATERIALS SCIENCE↗
DOE OSTI2013

An overview—Functional nanomaterials for lithium rechargeable batteries, supercapacitors, hydrogen storage, and fuel cells

Graphical abstract: Nanomaterials play important role in lithium ion batteries, supercapacitors, hydrogen storage and fuel cells. - Highlights: • Nanomaterials play important role for lithium rechargeable batteries. • Nanostructured materials increase the capacitance of supercapacitors. • Nanostructure improves the hydrogenation/dehydrogenation of hydrogen storage materials. • Nanomaterials enhance the electrocatalytic activity of the catalysts in fuel cells. - Abstract: There is tremendous worldwide interest in functional nanostructured materials, which are the advanced nanotechnology materials with internal or external dimensions on the order of nanometers. Their extremely small dimensions make these materials unique and promising for clean energy applications such as lithium ion batteries, supercapacitors, hydrogen storage, fuel cells, and other applications. This paper will highlight the development of new approaches to study the relationships between the structure and the physical, chemical, and electrochemical properties of functional nanostructured materials. The Energy Materials Research Programme at the Institute for Superconducting and Electronic Materials, the University of Wollongong, has been focused on the synthesis, characterization, and applications of functional nanomaterials, including nanoparticles, nanotubes, nanowires, nanoporous materials, and nanocomposites. The emphases are placed on advanced nanotechnology, design, and control of the composition, morphology, nanostructure, and functionality of the nanomaterials, and on the subsequent applications of these materials to areas including lithium ion batteries, supercapacitors, hydrogen storage, and fuel cells.

36 MATERIALS SCIENCE↗