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Results for “multifunctionality”

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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
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 OSTI2016

Advances in shrub-willow crops for bioenergy, renewable products, and environmental benefits

Short-rotation coppice systems like shrub willow are projected to be an important source of biomass in the United States for the production of bioenergy, biofuels, and renewable bio-based products, with the potential for auxiliary environmental benefits and multifunctional systems. Almost three decades of research has focused on the development of shrub willow crops for biomass and ecosystem services. The current expansion of willow in New York State (about 500 ha) for the production of renewable power and heat has been possible because of incentive programs offered by the federal government, commitments by end users, the development of reliable harvesting systems, and extension services offered to growers. Improvements in the economics of the system are expected as willow production expands further, which should help lower establishment costs, enhance crop management options and increase efficiencies in harvesting and logistics. As a result, deploying willow in multifunctional value-added systems provides opportunities for both potential producers and end users to learn about the system and the quality of the biomass feedstock, which in turn will help overcome barriers to expansion.

09 BIOMASS FUELS↗
DOE OSTI2018

Fully printed and integrated electrolyzer cells with additive manufacturing for high-efficiency water splitting

Using additive manufacturing (AM) technology, a fundamental material and structure innovation was proposed to significantly increase the energy efficiency, and to reduce the weight, volume and component quantity of proton exchange membrane electrolyzer cells (PEMECs). Four conventional parts (liquid/gas diffusion layer, bipolar plate, gasket, and current distributor) in a PEMEC were integrated into one multifunctional AM plate without committing to tools or molds for the first time. In addition, since the interfacial contact resistances between those parts were eliminated, the comprehensive in-situ characterizations of AM cells showed that an excellent energy efficiency of up to 86.48% was achieved at 2 A/cm2 and 80 degrees C, and the hydrogen generation rate was increased by 61.81% compared to the conventional cell. More importantly, the highly complex inner structures of the AM integrated multifunctional plates also exhibit the potential to break limitations of conventional manufacture methods for hydrogen generation and to open a door for the development of other energy conversion devices, including fuel cells, solar cells and batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Dual-Functional Thermocapacitive Heat Pump with Electrochemical Supercapacitors for Building Thermal Management and Energy Storage

Efficient heating and cooling technologies can help reduce the energy consumption and carbon emissions of buildings. This work explores the use of supercapacitive cells in a multifunctional, liquid-regenerated thermocapacitive heat pump that can provide electrical energy storage in addition to heating and cooling. A proof-of-concept prototype based on eight commercial supercapacitors and using deionized water as a liquid regenerator demonstrated cooling and energy storage capabilities. A peak cooling coefficient of performance (COPc) of 0.27 was achieved at a temperature drop of 0.24 K. The highest measured electrical energy storage density of the cells was 5.93 J cm-3, and the highest cooling power delivered relative to the volume of the cells was 0.58 mW cm-3. This work demonstrates the use of electrochemical energy storage devices in multifunctional equipment for thermal management in buildings.

25 ENERGY STORAGE↗
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↗
DOE OSTI2017

Realistic full wave modeling of focal plane array pixels

Here in this paper we investigate full-wave simulations of realistic implementations of multifunctional nanoantenna enabled detectors (NEDs). We focus on a 2x2 pixelated array structure that supports two wavelengths of operation. We design each resonating structure independently using full-wave simulations with periodic boundary conditions mimicking the whole infinite array. We then construct a supercell made of a 2x2 pixelated array with periodic boundary conditions mimicking the full NED; in this case, however, each pixel comprises 10-20 antennas per side. In this way, the cross-talk between contiguous pixels is accounted for in our simulations. We observe that, even though there are finite extent effects, the pixels work as designed, each responding at the respective wavelength of operation. Finally, this allows us to stress that realistic simulations of multifunctional NEDs need to be performed to verify the design functionality by taking into account finite extent and cross-talk effects.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

Airborne measurements of western U.S. wildfire emissions: Comparison with prescribed burning and air quality implications: Western U.S. Wildfire Emissions

Wildfires emit significant amounts of pollutants that degrade air quality. Plumes from three wildfires in the western U.S. were measured from aircraft during the Studies of Emissions and Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys (SEAC4RS) and the Biomass Burning Observation Project (BBOP), both in summer 2013. This study reports an extensive set of emission factors (EFs) for over 80 gases and 5 components of submicron particulate matter (PM 1 ) from these temperate wildfires. These include rarely, or never before, measured oxygenated volatile organic compounds and multifunctional organic nitrates. The observed EFs are compared with previous measurements of temperate wildfires, boreal forest fires, and temperate prescribed fires. Furthermore, the wildfires emitted high amounts of PM 1 (with organic aerosol (OA) dominating the mass) with an average EF that is more than 2 times the EFs for prescribed fires. The measured EFs were used to estimate the annual wildfire emissions of carbon monoxide, nitrogen oxides, total nonmethane organic compounds, and PM 1 from 11 western U.S. states. The estimated gas emissions are generally comparable with the 2011 National Emissions Inventory (NEI). However, our PM 1 emission estimate (1530 ± 570 Gg yr -1 ) is over 3 times that of the NEI PM2.5 estimate and is also higher than the PM2.5 emitted from all other sources in these states in the NEI. This study indicates that the source of OA from biomass burning in the western states is significantly underestimated. Additionally, our results indicate that prescribed burning may be an effective method to reduce fine particle emissions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Versatile and Highly Efficient Controls of Reversible Topotactic Metal–Insulator Transitions through Proton Intercalation

The ability to tailor a new crystalline structure and associated functionalities with a variety of stimuli is one of the key issues in material design. Developing synthetic routes to functional materials with partially absorbed nonmetallic elements (i.e., hydrogen and nitrogen) can open up more possibilities for preparing novel families of electronically active oxide compounds. Here, fast and reversible uptake and release of hydrogen in epitaxial ABO 3 manganite films through an adapted low-frequency inductively coupled plasma technology is introduced. Compared with traditional dopants of metallic cations, the plasma-assisted hydrogen implantations not only produce reversibly structural transformations from pristine perovskite (PV) phase to a newly found protonation-driven brownmillerite one but also regulate remarkably different electronic properties driving the material from a ferromagnetic metal to a weakly ferromagnetic insulator for a range of manganite (La 1–x Sr x MnO 3 ) thin films. Moreover, a reversible perovskite-brownmillerite-perovskite transition is achieved at a relatively low temperature (T ≤ 350 °C), enabling multifunctional modulations for integrated electronic systems. The fast, low-temperature control of structural and electronic properties by the facile hydrogenation/dehydrogenation treatment substantially widens the space for exploring new possibilities of novel properties in proton-based multifunctional materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Stabilizing Zinc Anode Reactions by Polyethylene Oxide Polymer in Mild Aqueous Electrolytes

Abstract Zn dendrites growth and poor cycling stability are significant challenges for rechargeable aqueous Zn batteries. Zn metal deposition‐dissolution in aqueous electrolytes is typically determined by Zn anode–electrolyte interfaces. In this work, the role of a long‐chain polyethylene oxide (PEO) polymer as a multifunctional electrolyte additive in stabilizing Zn metal anodes is reported. PEO molecules suppress Zn 2+ ion transfer kinetics and regulate Zn 2+ ion concentration in the vicinity of Zn anodes through interactions between ether groups of PEO and Zn 2+ ions. The suppressed Zn 2+ ion transfer kinetics and homogeneous Zn 2+ ion distribution at the interface promotes dendrite‐free homogeneous Zn deposition. In addition, electrochemically inert PEO molecules adsorbed onto Zn anodes can protect the anode surfaces from H 2 generation and, thereby, enhance their electrochemical stability. Stable cycling over 3000 h and high reversibility (Coulombic efficiency > 99.5%) of Zn anodes is demonstrated in 1 m ZnSO 4 electrolyte with 0.5 wt% PEO. This finding provides helpful insights into the mechanism of Zn metal anodes stabilization by low‐cost multifunctional polymer electrolyte additives that stabilize interfacial reactions.

Jin, Yan↗
DOE OSTI2018

Design for Highly Piezoelectric and Visible/Near-Infrared Photoresponsive Perovskite Oxides

Defect–engineered perovskite oxides that exhibit ferroelectric and photovoltaic properties are promising multifunctional materials. Though introducing gap states by transition metal doping on the perovskite B–site can obtain low bandgap (i.e., 1.1–3.8 eV), the electrically leaky perovskite oxides generally lose piezoelectricity mainly due to oxygen vacancies. Therefore, the development of highly piezoelectric ferroelectric semiconductor remains challenging. Here, inspired by point–defect–mediated large piezoelectricity in ferroelectrics especially at the morphotropic phase boundary (MPB) region, an efficient strategy is proposed by judiciously introducing the gap states at the MPB where defect–induced local polar heterogeneities are thermodynamically coupled with the host polarization to simultaneously achieve high piezoelectricity and low bandgap. A concrete example, Ni 2+ –mediated (1– x )Na 0.5 Bi 0.5 TiO 3– x Ba(Ti 0.5 Ni 0.5 )O 3–δ ( x = 0.02–0.08) composition is presented, which can show excellent piezoelectricity and unprecedented visible/near–infrared light absorption with a lowest ever bandgap ≈0.9 eV at room temperature. In particular, the MPB composition x = 0.05 shows the best ferroelectricity/piezoelectricity ( d 33 = 151 pC N –1 , P r = 31.2 μC cm –2 ) and a largely enhanced photocurrent density approximately two orders of magnitude higher compared with classic ferroelectric (Pb,La)(Zr,Ti)O 3 . Furthermore, this research provides a new paradigm for designing highly piezoelectric and visible/near–infrared photoresponsive perovskite oxides for solar energy conversion, near–infrared detection, and other multifunctional applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ultrastrong Ionotronic Films Showing Electrochemical Osmotic Actuation

Abstract A multifunctional soft material with high ionic and electrical conductivity, combined with high mechanical properties and the ability to change shape can enable bioinspired responsive devices and systems. The incorporation of all these characteristics in a single material is very challenging, as the improvement of one property tends to reduce other properties. Here, a nanocomposite film based on charged, high‐aspect‐ratio 1D flexible nanocellulose fibrils, and 2D Ti 3 C 2 T x MXene is presented. The self‐assembly process results in a stratified structure with the nanoparticles aligned in‐plane, providing high ionotronic conductivity and mechanical strength, as well as large water uptake. In hydrogel form with 20 wt% liquid, the electrical conductivity is over 200 S cm −1 and the in‐plane tensile strength is close to 100 MPa. This multifunctional performance results from the uniquely layered composite structure at nano‐ and mesoscales. A new type of electrical soft actuator is assembled where voltage as low as ±1 V resulted in osmotic effects and giant reversible out‐of‐plane swelling, reaching 85% strain.

Chemistry↗
DOE OSTI2024

Toward Multiscale, Multimaterial 3D Printing

Biological materials and organisms possess the fundamental ability to self-organize, through which different components are assembled from the molecular level up to hierarchical structures with superior mechanical properties and multifunctionalities. These complex composites inspire material scientists to design new engineered materials by integrating multiple ingredients and structures over a wide range. Additive manufacturing, also known as 3D printing, has advantages with respect to fabricating multiscale and multi-material structures. The need for multifunctional materials is driving 3D printing techniques toward arbitrary 3D architectures with the next level of complexity. In this paper, the aim is to highlight key features of those 3D printing techniques that can produce either multiscale or multimaterial structures, including innovations in printing methods, materials processing approaches, and hardware improvements. Several issues and challenges related to current methods are discussed. Ultimately, the authors also provide their perspective on how to realize the combination of multiscale and multimaterial capabilities in 3D printing processes and future directions based on emerging research.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ultrafast Jahn‐Teller Photoswitching in Cobalt Single‐Ion Magnets

Abstract Single‐ion magnets (SIMs) constitute the ultimate size limit in the quest for miniaturizing magnetic materials. Several bottlenecks currently hindering breakthroughs in quantum information and communication technologies could be alleviated by new generations of SIMs displaying multifunctionality. Here, ultrafast optical absorption spectroscopy and X‐ray emission spectroscopy are employed to track the photoinduced spin‐state switching of the prototypical complex [Co(terpy) 2 ] 2+ (terpy = 2,2′:6′,2″‐terpyridine) in solution phase. The combined measurements and their analysis supported by density functional theory (DFT), time‐dependent‐DFT (TD‐DFT) and multireference quantum chemistry calculations reveal that the complex undergoes a spin‐state transition from a tetragonally elongated doublet state to a tetragonally compressed quartet state on the femtosecond timescale, i.e., it sustains ultrafast Jahn‐Teller (JT) photoswitching between two different spin multiplicities. Adding new Co‐based complexes as possible contenders in the search for JT photoswitching SIMs will greatly widen the possibilities for implementing magnetic multifunctionality and eventually controlling ultrafast magnetization with optical photons.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Phase Diagrams and Piezoelectric Properties of Wurtzite Al1-x-yScxGdyN Heterostructural Alloys

Ternary nitride alloys based on wurtzite AlN are a promising platform to realize functional materials, particularly ferroelectrics and optical emitters, that can smoothly integrate with conventional microelectronics. Here, a strategic design is presented to enable multifunctional materials by substituting multiple elements into AlN to create quaternary nitride alloys. By combining computational predictions and combinatorial thin film synthesis, the phase diagram of these quaternary Al-Sc-Gd-N alloys (or pseudo-ternary heterostructural AlN-ScN-GdN alloys) is successfully predicted as a function of effective temperature, and we experimentally grow Al1-x-xScxGdyN thin films for the first time. It is revealed that Al1-x-xScxGdyN crystallizes in a wurtzite-derived structure for X + y <~ 0.35, consistent with the calculated phase diagram. The computational investigation explores whether co-substitution induces cooperative effects on these alloys' piezoelectric and ferroelectric properties, finding that it is beneficial for reducing the polarization switching barrier. We calculate that Al1-x-xScxGdyN thin films should display ferroelectric switching. This is supported by our experimental measurements of a high optical bandgap, enhanced piezoelectric coefficient, and a change in the calculated polarization switching mechanism, and we achieve preliminary ferroelectric switching that experimentally realizes the prediction. Overall, our work sets the foundation toward quaternary wurtzite-nitride-based multifunctional materials, including piezoelectrics, ferroelectrics, and possibly even multiferroics.

36 MATERIALS SCIENCE↗
DOE OSTI2018

One‐Step Synthesis of Hybrid Core–Shell Metal–Organic Frameworks

Abstract Epitaxial growth of MOF‐on‐MOF composite is an evolving research topic in the quest for multifunctional materials. In previously reported methods, the core–shell MOFs were synthesized via a stepwise strategy that involved growing the shell‐MOFs on top of the preformed core‐MOFs with matched lattice parameters. However, the inconvenient stepwise synthesis and the strict lattice‐matching requirement have limited the preparation of core–shell MOFs. Herein, we demonstrate that hybrid core–shell MOFs with mismatching lattices can be synthesized under the guidance of nucleation kinetic analysis. A series of MOF composites with mesoporous core and microporous shell were constructed and characterized by optical microscopy, powder X‐ray diffraction, gas sorption measurement, and scanning electron microscopy. Isoreticular expansion of microporous shells and orthogonal modification of the core was realized to produce multifunctional MOF composites, which acted as size selective catalysts for olefin epoxidation with high activity and selectivity.

Yang, Xinyu↗
DOE OSTI2018

One-Step Synthesis of Hybrid Core-Shell Metal-Organic Frameworks

Epitaxial growth of MOF-on-MOF composite is an evolving research topic in the quest for multifunctional materials. During prior approaches, the core–shell MOFs were synthesized via a stepwise strategy that involved growing the shell-MOFs on top of the preformed core-MOFs with matched lattice parameters. Yet, the inconvenient stepwise synthesis and the strict lattice-matching requirement have limited the preparation of core–shell MOFs. Herein, we demonstrate that hybrid core–shell MOFs with mismatching lattices can be synthesized under the guidance of nucleation kinetic analysis. A series of MOF composites with mesoporous core and microporous shell were constructed and characterized by optical microscopy, powder X-ray diffraction, gas sorption measurement, and scanning electron microscopy. Isoreticular expansion of microporous shells and orthogonal modification of the core was realized to produce multifunctional MOF composites, which acted as size selective catalysts for olefin epoxidation with high activity and selectivity.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Large‐Area, High‐Numerical‐Aperture, Freeform Metasurfaces

Abstract Nanophotonic devices are optical platforms capable of unprecedented wavefront control. To push the limits of experimental device performance, scalable design methodologies that combine the simplicity and fabricability of conventional design paradigms with the extended capabilities of freeform optimization are required. A novel gradient‐based design framework for large‐area freeform metasurfaces is introduced in which nonlocal interactions between simply shaped nanostructures, placed on an irregular lattice, are tailored to produce high‐order hybridized modes that support customizable large‐angle scattering profiles. Utilizing this approach, multifunctional super‐dispersive metalenses are designed and experimentally demonstrated. The approach to high‐numerical‐aperture radial metalenses capable of diffraction limited focusing and the generation of donut‐shaped point spread functions is also extended. It is anticipated that these concepts will have utility in super‐resolution microscopy, particle trapping, additive manufacturing, and metrology applications that require ultra‐high numerical apertures.

Optics↗
DOE OSTI2021

X‐ray scattering reveals disordered linkers and dynamic interfaces in complexes and mechanisms for DNA double‐strand break repair impacting cell and cancer biology

Abstract Evolutionary selection ensures specificity and efficiency in dynamic metastable macromolecular machines that repair DNA damage without releasing toxic and mutagenic intermediates. Here we examine non‐homologous end joining (NHEJ) as the primary conserved DNA double‐strand break (DSB) repair process in human cells. NHEJ has exemplary key roles in networks determining the development, outcome of cancer treatments by DSB‐inducing agents, generation of antibody and T‐cell receptor diversity, and innate immune response for RNA viruses. We determine mechanistic insights into NHEJ structural biochemistry focusing upon advanced small angle X‐ray scattering (SAXS) results combined with X‐ray crystallography (MX) and cryo‐electron microscopy (cryo‐EM). SAXS coupled to atomic structures enables integrated structural biology for objective quantitative assessment of conformational ensembles and assemblies in solution, intra‐molecular distances, structural similarity, functional disorder, conformational switching, and flexibility. Importantly, NHEJ complexes in solution undergo larger allosteric transitions than seen in their cryo‐EM or MX structures. In the long‐range synaptic complex, X‐ray repair cross‐complementing 4 (XRCC4) plus XRCC4‐like‐factor (XLF) form a flexible bridge and linchpin for DNA ends bound to KU heterodimer (Ku70/80) and DNA‐PKcs (DNA‐dependent protein kinase catalytic subunit). Upon binding two DNA ends, auto‐phosphorylation opens DNA‐PKcs dimer licensing NHEJ via concerted conformational transformations of XLF‐XRCC4, XLF–Ku80, and LigIV BRCT –Ku70 interfaces. Integrated structures reveal multifunctional roles for disordered linkers and modular dynamic interfaces promoting DSB end processing and alignment into the short‐range complex for ligation by LigIV. Integrated findings define dynamic assemblies fundamental to designing separation‐of‐function mutants and allosteric inhibitors targeting conformational transitions in multifunctional complexes.

59 BASIC BIOLOGICAL SCIENCES↗