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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Theory-Guided Synthesis of a Metastable Lead-Free Piezoelectric Polymorph

Many technologically critical materials are metastable under ambient conditions, yet the understanding of how to rationally design and guide the synthesis of these materials is limited. This paper presents an integrated approach that targets a metastable lead-free piezoelectric polymorph of SrHfO 3 . First-principles calculations predict that the previous experimentally unrealized, metastable P4mm phase of SrHfO 3 should exhibit a direct piezoelectric response (d 33 ) of 36.9 pC N -1 (compared to d 33 = 0 for the ground state). Combining computationally optimized substrate selection and synthesis conditions lead to the epitaxial stabilization of the polar P4mm phase of SrHfO 3 on SrTiO 3 . The films are structurally consistent with the theory predictions. A ferroelectric-induced large signal effective converse piezoelectric response of 5.2 pm V -1 for a 35 nm film is observed, indicating the ability to predict and target multifunctionality. Finally, this illustrates a coupled theory-experimental approach to the discovery and realization of new multifunctional polymorphs.

36 MATERIALS SCIENCE↗
DOE OSTI2012

A novel contrast agent with rare earth-doped up-conversion luminescence and Gd-DTPA magnetic resonance properties

The magnetic-luminescent multifunctional nanoparticles based on Gd-DTPA and NaYF{sub 4}:Yb, Er were successfully synthesized by the conjugation of activated DTPA and silica-coated/surface-aminolated NaYF{sub 4}:Yb, Er nanoparticles through EDC/NHS coupling chemistry. The as-prepared products were characterized by powder X-ray diffraction, transmission electron microscopy, dynamic light scattering, energy dispersive X-ray analysis, and fourier transform infrared spectrometry. The room-temperature upconversion luminescent spectra and T{sub 1}-weighted maps of the obtained nanoparticles were carried out by 980 nm NIR light excitation and a 3T MR imaging scanner, respectively. The results indicated that the as-synthesized multifunctional nanoparticles with small size, highly solubility in water, and both high MR relaxivities and upconversion luminescence may have potential usage for MR imaging in future. - Graphical abstract: We have synthesized magnetic-luminescent multifunctional nanoparticles based on Gd-DTPA and NaYF4:Yb, Er by the conjugation of activated DTPA and silica-coated/surface-aminolated NaYF4:Yb, Er nanoparticles through EDC/NHS coupling chemistry. Highlights: Black-Right-Pointing-Pointer A novel magnetic-luminescent multifunctional nanoparticles are synthesized. Black-Right-Pointing-Pointer The nanoparticles are highly efficient for luminescence and T{sub 1}-weighted MR imaging. Black-Right-Pointing-Pointer The nanoparticles are small in size and highly solubility in water. Black-Right-Pointing-Pointer The nanoparticles hold great potential usage for future biomedical engineering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Core–Shell Nanofibrous Materials with High Particulate Matter Removal Efficiencies and Thermally Triggered Flame Retardant Properties

Dust filtration is a crucial process for industrial waste gas treatment. Great efforts have been devoted to improve the performance of dust filtration filters both in industrial and fundamental research. Conventional air-filtering materials are limited by three key issues: (1) Low filtration efficiency, especially for particulate matter (PM) below 1 μm; (2) large air pressure drops across the filter, which require a high energy input to overcome; and (3) safety hazards such as dust explosions and fires. Here, we have developed a “smart” multifunctional material which can capture PM with high efficiency and an extremely low pressure drop, while possessing a flame retardant design. This multifunctionality is achieved through a core–shell nanofiber design with the polar polymer Nylon-6 as the shell and the flame retardant triphenyl phosphate (TPP) as the core. At 80% optical transmittance, the multifunctional materials showed capture efficiency of 99.00% for PM 2.5 and >99.50% for PM 10–2.5 , with a pressure drop of only 0.25 kPa (0.2% of atmospheric pressure) at a flow rate of 0.5 m s –1 . Furthermore, during direct ignition tests, the multifunctional materials showed extraordinary flame retardation; the self-extinguishing time of the filtrate-contaminated filter is nearly instantaneous (0 s/g) compared to 150 s/g for unmodified Nylon-6.

36 MATERIALS SCIENCE↗
DOE OSTI2016

High T{sub g} and fast curing epoxy-based anisotropic conductive paste for electronic packaging

Herein, our main objective is to prepare the fast curing epoxy system with high glass transition temperature (T{sub g}) by incorporating the multifunctional epoxy resin into the mixture of diglycidyl ether of bisphenol A (DGEBA) as a major epoxy component and aromatic diamine as a hardener. Furthermore, the curing behavior as well as thermal and thermomechanical properties were investigated by differential scanning calorimetry (DSC), dynamic mechanical analysis (DMA) and thermomechanical analysis (TMA). It was found that T{sub g} obtained from tan δ of DGEBA/aromatic diamine system increased from 100 °C to 205 °C with the presence of 30 percentage by weight of multifunctional epoxy resin. Additionally, the isothermal DSC results showed that the multifunctional epoxy resin can accelerate the curing reaction of DGEBA/aromatic diamine system. Namely, a high degree of curing (∼90%) was achieved after a few minutes of curing at low temperature of 130 °C, owing to a large number of epoxy ring of multifunctional epoxy resin towards the active hydrogen atoms of aromatic diamine.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

The effect of nanoparticle enhanced sizing on the structural health monitoring sensitivity and mechanical properties of carbon fiber composites

With current carbon composites being introduced into new commercial market sectors, there is an opportunity to develop multifunctional composites, which are poised to be the next generation of composites that will see future commercial applications. This multifunctional attribute can be achieved via integrated nanomaterials, which are currently under-utilized in real-world applications despite significant research efforts focused on their synthesis. This research utilizes a simple, scalable approach to integrate various nanomaterials into carbon fiber composites by embedding the nanomaterials in the epoxy fiber sizing. Illustrated in this work is the effect of silicon carbide nanoparticle concentrations and dimensions on the structural health monitoring sensitivity of unidirectional carbon fiber composites. Additionally, the nanoparticles contribute to the overall damping property of the composites thus enabling tunable damping through simple variations in nanoparticle concentration and size. Not only does this nanoparticle sizing offer enhanced sensitivity and tunable damping, but it also maintains the mechanical integrity and performance of the composites, which demonstrates a truly multifunctional composite. Therefore, this research establishes an efficient route for combining nanomaterials research with real-world multifunctional composite applications using a technique that is easily scalable to the commercial level and is compatible with a wide range of fibers and nanomaterials.

Bowland, Christopher↗
DOE OSTI2020

Deletion of a Peptidylprolyl Isomerase Gene Results in the Inability of Caldicellulosiruptor bescii To Grow on Crystalline Cellulose without Affecting Protein Glycosylation or Growth on Soluble Substrates

Caldicellulosiruptor bescii secretes a large number of complementary multifunctional enzymes with unique activities for biomass deconstruction. The most abundant enzymes in the C. bescii secretome are found in a unique gene cluster containing a glycosyl transferase (GT39) and a putative peptidyl prolyl cis-trans isomerase. Deletion of the glycosyl transferase in this cluster resulted in loss of detectable protein glycosylation in C. bescii, and its activity has been shown to be responsible for the glycosylation of the proline-threonine rich linkers found in many of the multifunctional cellulases. The presence of a putative peptidyl prolyl cis-trans isomerase within this gene cluster suggested that it might also play a role in cellulase modification. Here, we identify this gene as a putative prsA prolyl cis-trans isomerase. Deletion of prsA2 leads to the inability of C. bescii to grow on insoluble substrates such as Avicel, the model cellulose substrate, while exhibiting no differences in phenotype with the wild-type strain on soluble substrates. Finally, we provide evidence that the prsA2 gene is likely needed to increase solubility of multifunctional cellulases and that this unique gene cluster was likely acquired by members of the Caldicellulosiruptor genus with a group of genes to optimize the production and activity of multifunctional cellulases.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Freestanding BaTiO 3 ‐Au Vertically Aligned Nanocomposite toward Flexible Multi‐Sensing Platform

Abstract Flexible and wearable sensors show enormous potential for personalized healthcare devices by real‐time monitoring of an individual's health. Typically, a single functional material is selected for one sensor to sense a particular physical signal while multiple materials will be selected for multi‐mode sensing. Vertically aligned nanocomposites (VANs) have recently demonstrated various material combinations and novel coupled multifunctionalities that are hard to achieve in any single‐phase material alone, including multiphase multiferroics, magneto‐optic coupling, and strong magnetic and optical anisotropy. Integrating these novel VANs into wearable sensors shows enormous potential in multi‐mode sensing owing to their multifunctional nature. In this work, the transfer of VANs onto polydimethylsiloxane as a novel flexible chemical and pressure sensor is demonstrated. For this demonstration, the classical BaTiO 3 ‐Au VAN with combined plasmonic and piezoelectric properties is used to demonstrate a multi‐sensing mechanism. A thin water‐soluble buffer of Sr 3 Al 2 O 6 serves as a buffer layer for the epitaxial growth and transfer process. The electrical output based on the piezoelectric responses and identifying 4‐mercaptobenzoic acid by surface‐enhanced Raman spectroscopy reveal great potential for free‐standing VANs in a wearable multifunctional sensing platform.

Tsai, Benson Kunhung [School of Materials Engineer↗
DOE OSTI2025

Machine learning enabled discovery of superhard and ultrahard carbon polymorphs

The demand for multifunctional materials has motivated the move from near-equilibrium materials to metastable i.e. out-of-equilibrium phases that can meet several desired target properties. The search for such metastable phases with exotic properties is non-trivial and often serendipitous. Inverse design approaches based on evolutionary search have been powerful tools, but such traditional searches have focused on identifying primarily stable and metastable materials with the lowest enthalpy. The inverse design of materials, with a focus on a desired property such as, for example, hardness is a challenging task because of the expensive computational cost involved in sampling multiple structures. The recent advances in machine learning have brought new powerful AI techniques to the forefront which can potentially revolutionize the inverse design and discovery of materials, especially metastable phases capable of meeting multifunctionality. Here, in this work, we develop and apply an automated reinforcement learning workflow for inverse design that integrates first principles physics and atomistic simulations with machine learning (ML), and high-performance computing to allow rapid exploration of the superhard and ultrahard metastable phases of Carbon. We demonstrate an automatic machine learning based inverse design workflow to map new undiscovered metastable states ranging from near equilibrium to those far-from-equilibrium that satisfy multiple property objectives, specifically bulk moduli, shear moduli and hardness. We create a comprehensive library of carbon stable and metastable phases with varying hardness and subsequently shortlist 10 top performing candidate carbon structures, including two newly reported phases, based on their hardness and characterize their temperature dependent mechanical properties. A neural network model is built using featurization of allotropes of carbon to predict the quasi-harmonic Gibbs free energies. The Gibbs free energies of the top performing phases are analyzed to get an estimate of the experimental synthesizability of these superhard and ultrahard carbon phases. In general, we show using machine learning based inverse design approaches how hitherto inaccessible metastable states can be identified and potentially synthesized to meet the demand for multifunctional materials.

Balasubramanian, Karthik [Univ. of Illinois, Chica↗
DOE OSTI2026

PET waste- and bio-derived imine vitrimers for shape-memory, intrinsic flame-retardant, and recyclable carbon fiber composites

Developing circular multifunctional vitrimers and carbon fiber–reinforced polymers (CFRPs) that are simultaneously recyclable, mechanically robust, and intrinsically flame retardant remains a major challenge. Here, in this study, we report multifunctional vitrimers and their carbon fiber–reinforced vitrimer (CFRV) composites, where the vitrimer design integrates closed-loop recyclability, enhanced interfacial adhesion, and intrinsic flame retardancy within a single materials platform. The vitrimer matrix is synthesized from post-consumer polyethylene terephthalate (PET) waste and a vanillin-derived phosphorus-containing crosslinker, forming an imine-based network. The resulting vitrimer resin exhibits high tensile strength, thermal healability, repeated reprocessability, programmable shape memory, and rapid chemical depolymerization under mild conditions. Amine-functionalized carbon fibers significantly improve fiber–matrix interfacial bonding, yielding CFRVs with tensile strengths up to 789 MPa and complete recovery of structurally intact fibers after chemical recycling. The phosphorus-rich aromatic network further imparts intrinsic flame retardancy, enabling self-extinguishing behavior without external additives. This work advances a materials design paradigm for next-generation multifunctional, sustainable vitrimers and CFRVs, while simultaneously addressing the recycling challenges associated with both plastic and CFRP waste.

Bio-derived crosslinker↗
DOE OSTI2026

Hierarchal structures tuned electrocaloric and electromechanical performance in PVDF-based tetrapolymers

Ferroelectrics with multifunctionalities are gaining increased interest in self-actuated electrocaloric effect (ECE) refrigerators. However, achieving high ECE and electromechanical (EM) coupling concomitantly for maximum heat transfer remains challenging. Here we present the structure-property relationship for poly(vinylidene fluoride-co-trifluoroethylene-co-chlorofluoroethylene-co-double bond), P(VDF-TrFE-CFE-DB), tetrapolymer, which exhibited a high ECE entropy change of 66.5 J Kg −1 K −1 and EM strain of −6.1%. We show that thermal treatment can be a key factor influencing multifunctional properties. High-temperature annealing incorporates DB and CFE units into crystalline grains to form extended-chain crystals, enabling CFE units to induce relaxor behavior and DB units to induce large structural changes at low electric fields. This synergy leads to an enhancement in both ECE and EM performances. Furthermore, at an optimized temperature of 50 °C, the annealed films exhibit giant cross-energy coupling, achieving ECE and EM performances of 100.8 J Kg −1 K −1 and −7.6%. This study provides insights into developing new ferroelectric polymers with electroactive multifunctionalities.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Magnetic field-induced magnetostructural transition and huge tensile superelasticity in an oligocrystalline Ni–Cu–Co–Mn–In microwire

Meta-magnetic shape-memory alloys combine ferroelastic order with ferromagnetic order and exhibit attractive multifunctional properties, but they are extremely brittle, showing hardly any tensile deformability, which impedes their practical application. Here, for the first time, an Ni–Cu–Co–Mn–In microwire has been developed that simultaneously exhibits a magnetic field-induced first-order meta-magnetic phase transition and huge tensile superelasticity. A temperature-dependent in situ synchrotron high-energy X-ray diffraction investigation reveals that the martensite of this Ni 43.7 Cu 1.5 Co 5.1 Mn 36.7 In 13 microwire shows a monoclinic six-layered modulated structure and the austenite shows a cubic structure. This microwire exhibits an oligocrystalline structure with bamboo grains, which remarkably reduces the strain incompatibility during deformation and martensitic transformation. As a result, huge tensile superelasticity with a recoverable strain of 13% is achieved in the microwire. This huge tensile superelasticity is in agreement with our theoretical calculations based on the crystal structure and lattice correspondence of austenite and martensite and the crystallographic orientation of the grains. Owing to the large magnetization difference between austenite and martensite, a pronounced magnetic field-induced magnetostructural transition is achieved in the microwire, which could give rise to a variety of magnetically driven functional properties. For example, a large magnetocaloric effect with an isothermal entropy change of 12.7 J kg -1 K -1 (under 5 T) is obtained. The realization of magnetic-field- and tensile-stress-induced structural transformations in the microwire may pave the way for exploiting the multifunctional properties under the coupling of magnetic field and stress for applications in miniature multifunctional devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Optimizing pollinator conservation and crop yield among perennial bioenergy crops

In order to both combat the decline of biodiversity and produce food, fuel, and fiber for a growing human population, current agricultural landscapes must transition into diversified, multifunctional systems. Perennial cellulosic biofuel crops have potential to meet both of these challenges, acting as multifunctional systems that can enhance biodiversity. What is not well understood, and what we test here, are the tradeoffs among different perennial crops in their performance as biofuels and in biodiversity conservation. Working in an established bioenergy experiment with four native, perennial, cellulosic biofuel crop varieties - ranging from monoculture to diverse restoration planting - we tested the effect of biofuel crop management on flower communities, pollinator communities, and crop yield. The greatest abundance and diversity of pollinators and flowers were in treatments that were successional (unmanaged), followed by restored prairie (seeded mix of native grasses and forbs), switchgrass, and a mix of native grasses. However, biofuel crop yield was approximately the inverse, with native grasses having the highest yield, followed by switchgrass and prairie, then successional treatments. Restored prairie was the optimal biofuel crop when both pollinator conservation and crop yield are valued similarly. We add to mounting evidence that policy is needed to create sustainable markets that value the multifunctionality of perennial biofuel systems in order to achieve greater ecosystem services from agricultural landscapes.

09 BIOMASS FUELS↗
DOE OSTI2019

Enhanced piezoresistive sensing of fiber-reinforced composites via embedded nanoparticles

Carbon fiber composites offer outstanding structural performance with high specific strength and are experiencing significant commercial adoption as the fiber price continues to decrease. Composite research efforts now need to focus on creating multifunctional composites, which can offer sensing capabilities in addition to structural attributes. This work focuses on creating multifunctional carbon fiber composites with structural health monitoring capabilities through the integration of piezoresistive nanoparticles on the surface of carbon fiber. Prior research introduced the development of coating silicon carbide nanoparticles on the surface of carbon fiber in a continuous feed-through process to achieve increased SHM sensitivity with enhanced interlaminar strength and tunable mechanical damping properties. One benefit of that coating process is the compatibility with various nanomaterials. This research capitalizes on that benefit by coating different nanoparticles, such as titanium dioxide, on carbon fiber to further enhance the sensing capabilities. A modification to the prior coating process is made in this research to enable significantly higher nanoparticle loading to be achieved. The resulting composites more accurately measure an applied force by responding with a more profound electrical resistance change. This research lays the foundation for efficiently integrating nanoparticles onto fibers leading to homogenously dispersed nanoparticles throughout a fiber reinforced composite for multifunctional performance.

Bowland, Christopher↗
DOE OSTI2021

Communication—Functional Conductive Polymer Binder for Practical Si-Based Electrodes

Multifunctional conductive binders represent an emerging class of polymer materials to address inherent challenges of Si electrodes for high capacity lithium-ion batteries. Advanced binders with oriented functionalities are greatly desired to facilitate the battery chemistry. We here report stable capacity cycling of a practical composite anode comprising industrial available SiO x (>60 wt%), carbon materials and a conductive polymer binder—poly(9,9-dioctylfluorene- co -fluorenonecomethylbenzoic ester) (PFM). This multifunctional polymer functions as both an interface modifier and an electrode binder for high-performing SiO x composite electrodes. The viability of multifunctional conductive polymer binders was further validated in a practical full cell.

25 ENERGY STORAGE↗
DOE OSTI2023

RanchES Data & R code

Securing food production while safeguarding ecosystem stability and resilience remains a grand challenge in the Anthropocene. Sustainable agricultural intensification holds promise in achieving ecosystem service multifunctionality beyond food production, yet empirical evidence remains tenuous, especially regarding consequences for the metaecosystems (i.e., spatially coupled ecosystems connected by flows across ecosystem boundaries). Here we synthesized long-term datasets encompassing 53 physical, chemical, and biological indicators, comprising >11,000 field measurements, to understand effects of land-use intensification on multiple ecosystem services of spatially connected grasslands and wetlands. The management practices applied to grasslands were not directly imposed on wetlands, except for grazing intensity. Our results revealed that intensification promoted high-quality forage and livestock production in both grasslands and wetlands, but at the expense of water quality regulation, methane mitigation, non-native species invasion resistance, and biodiversity, and further weakened relationships among ecosystem services. Such intensification effects on grasslands cascaded to alter multifunctionality of embedded natural wetlands within the metaecosystems to a similar extent. Our results highlight the need to integrate holistic and systematic perspectives into land-use intensification strategies to achieve multifunctional agricultural landscapes.

Agricultural land management↗
DOE OSTI2013

The Use of Additive Manufacturing for Fabrication of Multi-Function Small Satellite Structures

The use of small satellites in constellations is limited only by the growing functionality of smallsats themselves. Additive manufacturing provides exciting new design opportunities for development of multifunction CubeSat structures that integrate such functions as propulsion and thermal control into the satellite structures themselves. Manufacturing of these complex multifunction structures is now possible in lightweight, high strength, materials such as titanium by using existing electron beam melting additive manufacturing processes. However, the use of today's additive manufacturing capabilities is often cost-prohibitive for small companies due to the large capital investments required. To alleviate this impediment the U.S. Department of Energy has established a Manufacturing Demonstration Facility (MDF) at their Oak Ridge National Laboratory (ORNL) in Tennessee that provides industry access to a broad range of energy-efficient additive manufacturing equipment for collaborative use by both small and large organizations. This paper presents a notional CubeSat multifunction design that integrates the propulsion system into a three-unit (3U) CubeSat structure. The full-scale structure has been designed and fabricated at the ORNL MDF. The use of additive manufacturing for spacecraft fabrication is opening up many new possibilities in design and fabrication capabilities for what had previously been impossible structures to fabricate.

Horais, Brian J↗
DOE OSTI2020

Single step conversion of ethanol to butadiene

A process for producing 1,3-butadiene (BD) from ethanol in a single step by s7passing a mixture containing ethanol in a gas phase over a multifunctional catalyst having a transition metal dispersion of at least 30% on a silica metal oxide support. In some examples the multifunctional catalyst comprises a silica metal oxide having a surface area of at least 200 m{circumflex over ( )}2/g. The multifunctional catalyst can include a transition metal oxide, a silica metal oxide made from a high purity silica gel, mesoporous silica and fumed silica, such as high purity SBA16, SBA15, or Davisil grade 646.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗