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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO 4 (Ha = Cl, Br; VI = Mo, W)

Four heteroanionic oxyhalides, CeClMoO 4 , CeBrMoO 4 , CeClWO 4 , and CeBrWO 4 , have been studied as multifunctional materials, which show a combination of good second harmonic generation (SHG) response and photocurrent signals. Millimeter-sized CeHaVIO 4 (Ha = Cl, Br; VI = Mo, W) crystals were grown by halide salt flux. The crystal structure of CeHaVIO 4 crystals was accurately determined by single-crystal X-ray diffraction. CeClMoO 4 , CeBrMoO 4 , and CeBrWO 4 are isostructural to each other, and crystallize in the acentric LaBrMoO 4 structure type. CeClWO 4 crystallizes in a new structure type with unit cell parameters of a = 19.6059(2) Å, b = 5.89450(10) Å, c = 7.80090(10) Å, and β = 101.4746(8)°. The bandgaps of CeHaVIO 4 fall into the range of 2.8(1)–3.1(1) eV, which are much smaller than those of isotypic LaHaVIO 4 (Ha = Cl, Br; VI = Mo, W) in the range of 3.9(1)–4.3(1) eV. The narrowing of bandgaps in CeHaVIO 4 originates from the presence of partially filled 4f orbitals of cerium atoms, which was confirmed by density functional theory (DFT) calculations. The moderate bandgaps make CeHaVIO 4 suitable for infrared nonlinear optical (IR NLO) applications. CeBrMoO 4 and CeBrWO 4 exhibit moderate SHG responses of 0.58× AGS and 0.46× AGS, respectively, and are both type-I phase-matching materials. Moderate SHG response, easy growth of crystals, high ambient stability, and type-I phase-matching behavior make CeBrMoO 4 and CeBrWO 4 great materials for IR NLO applications. CeHaVIO 4 films also exhibited good photocurrent response upon light radiation. Furthermore, this work demonstrates the rich structural chemistry of the REHaVIO 4 (RE = Y, La–Lu; Ha = Cl, Br; VI = Mo, W) family and the potential presence of more multifunctional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks

Low-dimensional hybrid inorganic–organic frameworks exhibit high structural flexibility and allow for the inclusion of various magnetic and optically-active species into their host structures. The emergence of copper-based hybrid structures for various optical applications provides a promising foundation for exploring the integration of magnetic sublattices, paving the way for advancements in magneto-optical coupling and multifunctional materials. Herein, we introduce a novel class of hybrid copper frameworks with covalently-connected alternating magnetic 2D copper(II) formate and non-magnetic copper(I) bromide layers. The anionic framework is stabilized by A + cations to form ACu 5 Br 4 (COOH) 4 (A + = Na + , K + , Rb + , NH 4 + ) semiconductors (bandgaps 2.1–2.2 eV) with optical transitions suitable for optoelectronic applications. Comprehensive magnetometry studies show that ACu 5 Br 4 (COOH) 4 compounds exhibit low-dimensional 2D short-range antiferromagnetic order within the formate layers, characterized by strong exchange coupling (J/k B ∼ −100 K). Upon further temperature reduction, interactions between Cu(II) layers give rise to 3D long-range magnetic order at ∼40 K, despite the large (8.6–8.8 Å) spatial separation of the magnetic Cu(II) formate layers by nonmagnetic Cu(I)–Br bridging layers. This transition is further supported by electron paramagnetic resonance (EPR) spectroscopy. In conclusion, this study expands our understanding of low-dimensional hybrid frameworks and opens new avenues for the design of 2D multifunctional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Multifunctional Polar 2D Lead Iodide Perovskites Exhibiting Persistent Spin Texture

Ferroelectric Rashba semiconductors are a rare class of multifunctional materials promising for spin–orbitronics due to the possibility of electrically switchable spin textures. Hybrid organic–inorganic metal halide perovskites offer exceptional tunability that can be harnessed to target noncentrosymmetry; however, the complex interactions between organic and inorganic components are not rationally understood. Here, we use an asymmetric spacer cation with a strong molecular dipole moment (2-fluorobenzylammonium, 2FBZ) and increase the intrinsic quantum well thickness to n > 1 to synthesize three new polar 2D lead iodide perovskites (2FBZ) 2 (A) n-1 Pb n I 3n+1 with A = methylammonium (MA) or formamidinium (FA) and n = 2, 3. Single-crystal structure analysis reveals the C 2v symmetry of these crystal structures and substantial structural distortions, which enable Rashba and Dresselhaus band splitting and persistent spin texture, confirmed by DFT calculations. Measurements of the resulting symmetry-dependent properties, such as second harmonic generation, switchable photovoltaic effect, ferroelectric polarization, and low temperature photoluminescence show switchable ferroelectric semiconducting properties. Furthermore, these results introduce a general chemical design strategy toward polar symmetry by exploiting the complex interplay between asymmetric spacer cations and A-site cations in quasi-2D (n > 1) halide perovskites to realize new classes of multifunctional materials for future spin–orbitronic applications.

Cations↗
DOE OSTI2023

Bioinspired design toward nanocellulose-based materials

Nature provides lots of inspiration for material and structural design for various applications. Deriving design principles from the investigation of nature can provide a rich source of inspiration for the development of multifunctional materials. The bioinspired design templates mainly include mussels, nacre, and various plant species. As a sustainable and renewable feedstock, nanocellulose can be used to fabricate advanced materials with multifunctional properties through bioinspired designs. However, challenges and opportunities remain for realizing the full potential in the design of novel materials. Here, this article reviewed recent development in the bioinspired nanocellulose based materials and their application. This article summarizes the functions (e.g., surface wetting) and applications (e.g., composite) of bioinspired nanocellulose-based materials. The bioinspired design templates are discussed along with strategies, advantages, and challenges to the development of synthetic mimics. Additionally, mechanisms and processes (e.g., chemical modification, self-assembly) leading to biomimetic design are discussed. Finally, future research directions and opportunities of bioinspired nanocellulose-based materials are highlighted.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Hot Structure Concepts and Materials for Space Exploration Project

Hot structures are multifunctional material systems that integrate the functions of thermal protection systems (TPS) and primary structure to increase mass efficiency in aerospace vehicles. The goal of this project was to improve our capabilities for developing lightweight, reusable, and reliable hot structures concepts to enable advanced space exploration missions. Specifically, current hot structure carbon/carbon (C/C) composite material systems have low interlaminar strength, which can lead to material failures at low load levels, and large material property variability in as-fabricated parts. Two parallel paths were followed to address these shortcomings. First, analysis models were developed to identify the conditions under which excessive interlaminar stresses occur and to evaluate the potential of stitching the C/C laminae to improve the interlaminar thermal-structural response. This effort included the development of high-fidelity, fracture-based thermal-structural finite element analysis models to evaluate critical features needed to produce efficient hot structure concepts. The second path focused on developing atomistic and mesoscale simulation tools to model the fabrication process in an effort to reduce the time and cost of production while improving the quality of the resulting parts. Aspects of the process currently being investigated include the infusion of the matrix precursor into the fiber preform, the cure of the precursor molecules into their polymeric form, and the carbonization and graphitization of the polymer to form the carbon matrix material. Results of the 6-month study are presented herein.

thermal↗
DOE OSTI2020

Machine Learning-Enabled Correlation and Modeling of Multimodal Response of Thin Film to Environment on Macro and Nanoscale Using “Lab-on-a-Crystal”

To close the feedback loop between artificial intellegence-controlled materials synthesis and characterization, material functionality must be rapidly tested. A platform for high-throughput multifunctional materials characterization is developed using a quartz crystal microbalance with auxiliary in-plane electrodes and a custom gas/vapor flow cell, enabling simultaneous scanning probe microscopy and electrical, optical, gravimetric, and viscoelastic characterization on the same film under controlled environment. The lab-on-a-crystal in situ multifunctional output allows direct correlations between the gravimetric/viscoelastic, electrical, and optical responses of polymer film in response to environment. Finally, when multiple film properties are used to augment the training set for machine learning regression, prediction of material response to the environment improves by a factor of 13 when <5% of the total dataset is used for model training.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Self-assembled multifunctional nanostructures for surface passivation and photon management in silicon photovoltaics

This work reports the fabrication and characterization of multifunctional, nanostructured passivation layers formed using a self-assembly process that provide both surface passivation and improved light trapping in crystalline silicon photovoltaic (PV) cells. Scalable block copolymer self-assembly and vapor phase infiltration processes are used to form arrays of aluminum oxide nanostructures (Al 2 O 3 ) on crystalline silicon without substrate etching. The Al 2 O 3 nanostructures are characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), and spectroscopic ellipsometry. Injection-level dependent photoconductance measurements are used to determine the effective carrier lifetime of the samples to confirm the nanostructures successfully passivate the Si surface. Finite element method simulations and reflectance measurement show that the nanostructures increase the internal rear reflectance of the PV cell by suppressing the parasitic optical losses in the metal contact. An optimized morphology of the structures is identified for their potential use in PV cells as multifunctional materials providing surface passivation, photon management, and carrier transport pathways.

14 SOLAR ENERGY↗
NASA NTRS2007

Development of Multifunctional Radiation Shielding Materials for Long Duration Human Exploration Beyond the Low Earth Orbit

One of the major challenges for long duration human exploration beyond the low Earth orbit and sustained human presence on planetary surfaces would be development of materials that would help minimize the radiation exposure to crew and equipment from the interplanetary radiation environment, This radiation environment consists primarily of a continuous flux of galactic cosmic rays (GCR) and transient but intense fluxes of solar energetic particles (SEP). The potential for biological damage by the relatively low percentage of high-energy heavy-ions in the GCR spectrum far outweigh that due to lighter particles because of their ionizing-power and the quality of the resulting biological damage. Although the SEP spectrum does not contain heavy ions and their energy range is much lower than that for GCRs, they however pose serious risks to astronaut health particularly in the event of a bad solar storm The primary purpose of this paper is to discuss our recent efforts in development and evaluation of materials for minimizing the hazards from the interplanetary radiation environment. Traditionally, addition of shielding materials to spacecrafts has invariably resulted in paying a penalty in terms of additional weight. It would therefore be of great benefit if materials could be developed not only with superior shielding effectiveness but also sufficient structural integrity. Such a multifunctional material could then be considered as an integral part of spacecraft structures. Any proposed radiation shielding material for use in outer space should be composed of nuclei that maximize the likelihood of projectile fragmentation while producing the minimum number of target fragments. A modeling based approach will be presented to show that composite materials using hydrogen-rich epoxy matrices reinforced with polyethylene fibers and/or fabrics could effectively meet this requirement. This paper will discuss the fabrication of such a material for a crewed vehicle. Ln addition, the capability of synthesizing radiation shielding materials for habitat structures primarily from Lunar or Martian in-situ resources will also be presented. Such an approach would significantly _reduce the cost associated with transportation of such materials and structures from earth. Results from radiation exposure measurements will be presented demonstrating the shielding effectiveness of the developed materials. Mechanical testing data will be discussed to illustrate that the specific mechanical properties of the developed composites are comparable to structural aluminum based alloys currently used for the space shuttle and space station.

Sen, S.↗
NASA NTRSDate not supplied

Space Charge Analysis Capabilities for the Evaluation of High Voltage Insulation Materials

Materials development is crucial for the advancement of electric aviation. Current research focusing on novel multifunctional materials is underway to solve the needs for aerospace systems; however, additional testing of these materials to understand their failure modes is equally critical. This project will utilize pulsed electroacoustic (PEA) instrumentation to investigate space charge accumulation of multifunctional composites and other insulation materials critical to robust high power transmission systems. Evaluating the space charge phenomena in dielectric materials will provide unique and fundamentally necessary data to determine the feasibility and lifetime of any high voltage insulation system. When electrical charge is injected into a solid dielectric, charge can accumulate and become trapped, leading to the failure of the insulation via breakdown or arcing events. This study will discuss the pulsed electroacoustic methodology and its use on evaluating various dielectric polymer and composite films.

pulsed electroacoustic↗
NASA NTRS2016

Growth Mechanism of Nanowires: Ternary Chalcogenides

In the past two decades there has been a large rise in the investment and expectations for nanotechnology use. Almost every area of research has projected improvements in sensors, or even a promise for the emergence of some novel device technologies. For these applications major focuses of research are in the areas of nanoparticles and graphene. Although there are some near term applications with nanowires in photodetectors and other low light detectors, there are few papers on the growth mechanism and fabrication of nanowire-based devices. Semiconductor nanowires exhibit very favorable and promising optical properties, including high transparency and a several order of magnitude better photocurrent than thin film and bulk materials. We present here an overview of the mechanism of nanowire growth from the melt, and some preliminary results for the thallium arsenic selenide material system. Thallium arsenic selenide (TAS) is a multifunctional material combining excellent acousto-optical, nonlinear and radiation detection properties. We observed that small units of (TAS) nanocubes arrange and rearrange at moderate melt undercooling to form the building block of a nanowire. In some cases very long wires (less than mm) are formed. Since we avoided the catalyst, we observed self-nucleation and uncontrolled growth of wires from different places.

Singh, N. B.↗
NASA NTRS2005

Mechanical and Electrical Properties of a Polyimide Film Significantly Enhanced by the Addition of Single-Wall Carbon Nanotubes

Single-wall carbon nanotubes have been shown to possess a combination of outstanding mechanical, electrical, and thermal properties. The use of carbon nanotubes as an additive to improve the mechanical properties of polymers and/or enhance their thermal and electrical conductivity has been a topic of intense interest. Nanotube-modified polymeric materials could find a variety of applications in NASA missions including large-area antennas, solar arrays, and solar sails; radiation shielding materials for vehicles, habitats, and extravehicular activity suits; and multifunctional materials for vehicle structures and habitats. Use of these revolutionary materials could reduce vehicle weight significantly and improve vehicle performance and capabilities.

Meador, Michael A.↗
NASA NTRS2011

OLTARIS: An Efficient Web-Based Tool for Analyzing Materials Exposed to Space Radiation

The near-Earth space radiation environment includes energetic galactic cosmic rays (GCR), high intensity proton and electron belts, and the potential for solar particle events (SPE). These sources may penetrate shielding materials and deposit significant energy in sensitive electronic devices on board spacecraft and satellites. Material and design optimization methods may be used to reduce the exposure and extend the operational lifetime of individual components and systems. Since laboratory experiments are expensive and may not cover the range of particles and energies relevant for space applications, such optimization may be done computationally with efficient algorithms that include the various constraints placed on the component, system, or mission. In the present work, the web-based tool OLTARIS (On-Line Tool for the Assessment of Radiation in Space) is presented, and the applicability of the tool for rapidly analyzing exposure levels within either complicated shielding geometries or user-defined material slabs exposed to space radiation is demonstrated. An example approach for material optimization is also presented. Slabs of various advanced multifunctional materials are defined and exposed to several space radiation environments. The materials and thicknesses defining each layer in the slab are then systematically adjusted to arrive at an optimal slab configuration.

Slaba, Tony↗
NASA NTRSDate not supplied

Morphological evolution and transition at nanoscale in BSTO ceramic materials

Considerable efforts have been devoted for the development of low cost ferroelectric and clean energy storage multifunctional materials. Modification in design and production of a low cost material with well proven process provides pathway for high energy density dielectric energy storage. We studied fluorine doped a commercially well-established material system barium strontium titanate with two different concentrations of dopants and studied the morphological transition and its effect on properties. It was observed that sample with higher concentration transitioned much faster into glassy state, followed by growth of fibers which turned into a self-arranged bird nest type shape. The sample with lower concentration changed slowly into glassy state and only few fibers were farmed. Dielectric was highly dependent on processing methods and shows variation with crystallinity of material, temperature and cooling conditions during processing. In the higher concentration range, we observed nano-scale interface breakdown very similar to that of solid-liquid interface breakdown during crystal growth.

dielectric↗
NASA NTRS2020

Shape Memory Alloys – Not Your Ordinary Metal

Sixty years after the discovery of shape memory alloys (SMAs), many actuation and structural applications using these materials have been conceived and developed. SMAs are a unique class of multifunctional materials that have the ability to recover large deformations and generate high stresses in response to thermal, mechanical and/or electromagnetic stimuli. These abilities have made them a viable option for actuation/structural systems in aerospace applications, amongst others. However, designing with SMAs is a paradigm shift from the conventional way we look at metals and mechanisms. In this course, you will learn how the unique properties of SMAs can be applied to designing mechanisms and the associated benefits. Basic primer will be provided on what they are and why they work with examples of the most successful applications that have been imagined. Common design tool and properties-database will be discussed.

Othmane Benafan↗
DOE OSTI2024

Multiscale modeling-enabled design of multifunctional composites

This study aims to create a comprehensive model that considers multiple scales and physics for predicting the electromechanical behavior of fiber-reinforced composites enhanced with barium titanate (BaTiO3). In our earlier work, we have demonstrated that depositing BaTiO3 microparticles of 200-nm-diameter, on fiber surfaces during fiber-reinforced composite fabrication enhances mechanical strength, passive self-sensing, and energy harvesting properties. The key is to carefully control the microparticle concentration to prevent agglomeration. Since the particles are micron-sized, understanding how agglomeration affects the composites' electromechanical properties is crucial for guiding such multifunctional materials’ design. This study introduces a micromechanics-based approach to explore the impact of microparticle dispersion on the bulk composites' electromechanical properties. Insights gained from this investigation are applied in experiments, enabling accurate predictions of mechanical and self-sensing responses in BaTiO3-enhanced fiber-reinforced composites. Micro-level findings from this computational approach can be integrated into larger continuum models to comprehensively capture the electromechanical behavior of the composite structures at bulk scale. The proposed model is validated by comparing predictions with experimental results, accounting for the nonlinear mechanical and electromechanical behaviors of constituent materials. Consequently, this computational model serves as a digital platform for efficiently designing multifunctional composites.

Gupta, Sumit↗
NASA NTRS2001

Computational Nanotechnology of Molecular Materials, Electronics, and Actuators with Carbon Nanotubes and Fullerenes

The role of computational nanotechnology in developing next generation of multifunctional materials, molecular scale electronic and computing devices, sensors, actuators, and machines is described through a brief review of enabling computational techniques and few recent examples derived from computer simulations of carbon nanotube based molecular nanotechnology.

Srivastava, Deepak↗
NASA NTRS2009

Complex Multifunctional Polymer/Carbon-Nanotube Composites

A methodology for developing complex multifunctional materials that consist of or contain polymer/carbon-nanotube composites has been conceived. As used here, "multifunctional" signifies having additional and/or enhanced physical properties that polymers or polymer-matrix composites would not ordinarily be expected to have. Such properties include useful amounts of electrical conductivity, increased thermal conductivity, and/or increased strength. In the present methodology, these properties are imparted to a given composite through the choice and processing of its polymeric and CNT constituents.

Patel, Pritesh↗