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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 19 records

Width-bending characteristic of REBCO HTS tape and flat-tape Rutherford-type cabling

Abstract The width-bending behaviors for a rare earth barium copper oxide (REBCO) high-temperature superconducting (HTS) tape have been investigated. It has been found experimentally that the width-bending strain of a Yttrium Barium Copper Oxide (YBCO) tape does not degrade the critical current as much as is expected from the axial strain. The critical current is not directly affected by the width-bending strain but by the axial strain, which the width-bending strain generates by the Poisson effect. Since Poisson’s ratio is about 0.3, the axial strain effective on the critical current is about 30% of the width-bending strain. Therefore, the width-bending strain of even 1.5% degrades the critical current by only 15% if the REBCO layer side is bent inward. However, the critical current degraded by more than 70% when the REBCO layer is outward. The width-bending effects on the critical current have been further examined, considering Poisson’s ratio changes and the neutral plane shift of the REBCO tape substrate. Those changes would occur when the material yields due to severe width-bending. Based on the width-bending of REBCO tapes, flat-tape Rutherford-type cabling is discussed. A REBCO Rutherford-type cable can provide various advantages, especially for narrow-tape cabling. The flat-tape Rutherford-type cable has better characteristics against an electromagnetic transverse Lorentz force. Furthermore, the tape length of the cable can be approximately the same as the cable length allowing for excellent tape usage. REBCO Rutherford-type cabling will be a promising high-current, high-field cabling method using thin substrate REBCO tapes. It will be useful for AC ramp-field and pulse-field applications with low AC losses and low shield currents. It notes that the filaments in the cable are symmetrically distributed in parallel. Therefore, each filament’s inductance is uniform, and a uniform current distribution among the filaments can be obtained.

Physics↗

Phase transition enhanced superior elasticity in freestanding single-crystalline multiferroic BiFeO 3 membranes

The integration of ferroic oxide thin films into advanced flexible electronics will bring multifunctionality beyond organic and metallic materials. However, it is challenging to achieve high flexibility in single-crystalline ferroic oxides that is considerable to organic or metallic materials. Here, we demonstrate the superior flexibility of freestanding single-crystalline BiFeO 3 membranes, which are typical multiferroic materials with multifunctionality. They can endure cyclic 180° folding and have good recoverability, with the maximum bending strain up to 5.42% during in situ bending under scanning electron microscopy, far beyond their bulk counterparts. Such superior elasticity mainly originates from reversible rhombohedral-tetragonal phase transition, as revealed by phase-field simulations. This study suggests a general fundamental mechanism for a variety of ferroic oxides to achieve high flexibility and to work as smart materials in flexible electronics.

36 MATERIALS SCIENCE↗

Twin-boundary-mediated flexoelectricity in LaAlO 3

Flexoelectricity has garnered much attention owing to its ability to bring electromechanical functionality to nonpiezoelectric materials and its nanoscale significance. In order to move towards a more complete understanding of this phenomenon and improve the efficacy of flexoelectric-based devices, it is necessary to quantify microstructural contributions to flexoelectricity. Here we directly measure the flexoelectric response of bulk centrosymmetric LaAlO 3 crystals with different twin-boundary microstructures. We show that twin-boundary flexoelectric contributions are comparable to intrinsic contributions at room temperature and enhance the flexoelectric response by ~4× at elevated temperatures. Additionally, we observe time-dependent and nonlinear flexoelectric responses associated with strain-gradient-induced twin-boundary polarization. Finally, these results are explained by considering the interplay between twin-boundary orientation, beam-bending strain fields, and pinning site interactions, and directly demonstrate that macroscopic flexoelectric responses are very sensitive to structural defects.

36 MATERIALS SCIENCE↗

Critical transverse compressive stresses of straight and bent CORC® wires with and without impregnation

CORC® wires are a promising superconductor for accelerator magnet applications. While their excellent uniaxial tensile properties have been well established, potential degradation under transverse compression remains a concern for accelerator magnets, in which transverse compression is a primary stress experienced by superconductors. To evaluate the critical transverse compressive stresses of rare-earth barium copper oxide conductors, we developed an experimental system that enables testing of samples both with and without impregnation in liquid nitrogen. Furthermore, because bending strain induced during coil winding may influence the critical compressive response of CORC® wires, the apparatus was also modified to allow testing under the bending condition. In this study wires were tested for five configurations: (1) straight, non-impregnated, (2) bent, non-impregnated, (3) straight, Stycast 2850 FT-impregnated, (4) bent, Stycast 2850 FT-impregnated, and (5) bent, paraffin wax-impregnated. The transverse pressures corresponding to 3% and 5% reductions in the critical current are reported. In conclusion, the effects of wire bending and impregnation on the critical transverse pressure are analyzed, and the implications for transverse stress levels in accelerator magnet conductors are discussed.

CORC® wire↗

Nanometer-Scale Fullerene-Type Conjugated Covalent Cages Based on Triazine: Design, Doping with Li + , and H 2 /CO 2 Adsorption

Spherical and hollow molecular cages based on planar triazine (C 3 N 3 ) hubs and aromatic phenylene connectors have been developed. The cages exhibit topologies akin to C 20 , C 60 , and C 70 fullerenes with diameters that range from 2.3 to 4.9 nm. Apertures into the cage interiors are tuned by varying the aromatic connectors situated between the C 3 N 3 -units. The stabilities of the C 3 N 3 cages increase with size owing to reduced bending strain of planar nodes and connectors that make up the spherical aromatic networks. Doping of the cages with Li + reveals the capacity of the cages for significant adsorption of gaseous H 2 and CO 2 . The design of graphene-like spherical cages is also discussed.

DFT calculations↗

Novel fabrication technique for high-resolution spherical crystal analyzers using a microporous aluminium base

Modern inelastic X-ray spectrometers employ curved, bent and diced analyzers to capture sufficiently large solid angles of radially emitted scattered radiation emanating from the sample. Fabricating these intricate analyzers, especially when a high energy resolution of a few millielectronvolts is required, is very time-consuming, expensive and often a hit-or-miss affair. A novel fabrication technique is introduced, utilizing a concave-spherical, microporous aluminium base to hold an assembly of a thin glass substrate with a diced crystal wafer bonded to it. Under uniform vacuum forces, the glass substrate is drawn into the aluminium base, achieving the desired bending radius, while dicing of the diffracting crystal layer prevents bending strain from being imposed on the individual crystal pixels. This technique eliminates the need for permanently bonding the crystal assembly to the concave lens, offering the opportunity for correcting figure errors, avoiding long-term degradation of the permanent bond, and making both lens and crystal reusable. Process and material costs are thus substantially decreased. Two analyzers, Si(844) and Ge(337) with intrinsic resolutions of 14.6 meV and 36.5 meV, respectively, were produced in this fashion and characterized in resonant inelastic X-ray scattering (RIXS) measurements. The achieved overall energy resolutions for both analyzers were 29.4 meV for Si(844) and 56.6 meV for Ge(337). Although the RIXS technique is veru sensitive to analyzer imperfections, the analyzers were found to be equal, if not superior, in quality to their traditional, permanently bonded counterparts.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Distributed fiber optic strain sensing of bending deformation of a well mockup in the laboratory

Well integrity is critical to the safety and success of subsurface energy exploration and management, as leakage of fluids from subsurface reservoirs is often induced by compromised wells. This study investigates bending deformation of a mockup of an oil/gas well that is subjected to loads expected in deviated wells under reservoir compaction and assesses the feasibility of utilizing distributed fiber optic strain sensing to monitor the deformation. Here, a well mockup, which consists of outer and inner steel pipes with a cemented annulus, is tested under three-point bending loading and its strain and curvature development is monitored by Brillouin optical time domain reflectometry/analysis (BOTDR/A) as well as optical frequency domain reflectometry (OFDR). The primary objective of this research is to assess the strain sensing performance of newly fabricated fiber optic cables and to identify key cable characteristics which could improve the quality of distributed strain measurements with BOTDR/A. Results show that the tight-buffered cable is best suited for strain sensing as its maximum errors in the strain measurement were -36% and -24% against conventional sensors at the maximum elastic and plastic bending loads, respectively, whereas those of the non-tight-buffered cable were -45% and -71%, respectively. Similar trends were obtained in the bending curvature measurement. The detailed design of the tight-buffered cable is presented to elucidate key characteristics of such a cable, which will facilitate accurate distributed strain sensing in oil and gas wells.

42 ENGINEERING↗

Density Functional Theory Study of Controllable Optical Absorptions and Magneto-Optical Properties of Magnetic CrI 3 Nanoribbons: Implications for Compact 2D Magnetic Devices

A chromium triiodide (CrI 3 ) monolayer has an interesting ferromagnetic ground-state. In this work, we calculate band structures and magnetic moments of tensile-strained and bent zigzag CrI 3 nanoribbons with density functional theory. The edge iodine atoms form flat low-lying conduction bands and couple with chromium atoms ferromagnetically, while the non-edge iodine atoms weakly couple antiferromagnetically. Narrow CrI 3 nanoribbons have two locally stable magnetic moment orientations, namely out-of-plane and in-plane (along the nanoribbon periodic direction) configurations. This enables four magnetization states in CrI 3 nanoribbons, including two out-of-plane ones (up and down) and two in-plane ones (forward and backward along the nanoribbon periodical direction), increasing the operating controllability. Based on the one-dimensional Ising spin chain model, the spin correlation length of the narrow CrI 3 nanoribbon is estimated as about 10 Å at its estimated Curie temperature of 27 Kelvin, which is lower than the measured 45 Kelvin of the monolayer CrI 3 . The optical absorption and magneto-optical properties of CrI 3 nanoribbons are investigated with many-body perturbation GW-BSE (Bethe-Salpeter equation), including magnetic dichroism, Faraday and magneto-optical Kerr effects. Here, the low-energy dark excitons are mainly from transitions between electrons and holes with unlike spins and are non-Frenkel-like, while the bright excitons have mixed spin configurations. The intrinsic lifetime of excitons can be over one nanosecond, suitable for quantum information processes. Tensile strains and bending manifestly modulate the absorption spectra and magneto-optical properties of CrI 3 nanoribbons within a technologically important photon energy-range of ~1.0-2.0 eV. The CrI 3 nanoribbons can be used in 1D or 2D magnetic storage nanodevices, tunable magnetic optoelectronics, and spin-based quantum information controls.

36 MATERIALS SCIENCE↗

Size Effect of Local Current-Voltage Characteristics of MX 2 Nanoflakes: Local Density of States Reconstruction from Scanning Tunneling Microscopy Experiments

Local current-voltage characteristics for low-dimensional transition-metal dichalcogenides (LDTMD), as well as the reconstruction of their local density of states (LDOS) from scanning tunneling microscopy (STM) experiments, are of fundamental interest and can be useful for advanced applications. Most of the existing models either have limited applicability for complex-shaped LDTMDs (e.g., those based on the Simmons approach) or require solving of an ill-defined integral equation to deconvolute the unknown LDOS (e.g., those based on the Tersoff approach). Using a serial expansion of the Tersoff formulas, we propose a flexible method to reconstruct the LDOS from local current-voltage characteristics measured in STM experiments. We establish a set of key physical parameters, which characterize the tunneling current of a STM-probe–sample contact and the sample LDOS expanded in Gaussian functions. Using a direct variational method coupled with probabilistic analysis, we determine these parameters from the STM experiments for MoS2 nanoflakes with different numbers of layers. The main result is the reconstruction of the LDOS in a relatively wide energy range around the Fermi level, which allows us to gain insight into the local band structure of LDTMDs. The reconstructed LDOS reveal pronounced size effects for the single-layer, two-layer, and three-layer MoS 2 nanoflakes, which we relate to the low dimensionality and strong bending or corrugation of the nanoflakes. We hope that the proposed elaboration of the Tersoff approach, allowing LDOS reconstruction, will be of critical interest for the quantitative description of STM experiments and also of use to better understand the microscopic physical aspects of the surface, strain, and bending contributions to the LDTMDs’ electronic properties.

42 ENGINEERING↗

Effect of post-weld heat treatment on microstructure and mechanical properties of rotary inertia friction welded dissimilar 422-4140 martensitic steel piston joints

The study investigated how post‐weld heat treatment (PWHT) temperature affects the microstructure and localized deformation/fracture during bend testing of rotary inertia friction welds (RIFW) between AISI 422 stainless steel and AISI 4140 steel. RIFW produced a fully martensitic interface with approximately 550 HV hardness in both the thermo-mechanically affected (TMAZ) and heat‐affected zones (HAZ). Due to differences in temper resistance, the 4140 TMAZ/HAZ softened progressively under PWHT temperatures from 525 °C to 700 °C, while the 422 TMAZ unexpectedly maintained about 550 HV up to 600 °C before significantly softening at temperatures ≥625 °C. This asymmetric softening generated steep hardness gradients across the interface at temperatures ≤600 °C. Furthermore, carbon migration across the interface was minimal up to 600 °C, moderate at 625 °C, and by 700 °C produced a carbide‐rich eutectoid layer in the 422 TMAZ alongside a carbon‐depleted soft ferrite layer in the 4140 TMAZ. Strain during bending was PWHT‐dependent, concentrating on the 4140 side; in as-welded joints, the high hardness led to deformation and crack initiation in the base metals, whereas in PWHT samples, cracking initiated in the softened 4140 TMAZ near the interface. The intermediate PWHT temperature of 625 °C offered the best balance of limited carbon diffusion across the interface, relatively low peak weld hardness and minimized hardness gradients across the interface, more homogenous deformation, and good bend test performance.

4140 low-alloy steel↗

Strain Gradient Elasticity in SrTiO 3 Membranes: Bending versus Stretching

Young’s modulus determines the mechanical loads required to elastically stretch a material and also the loads required to bend it, given that bending stretches one surface while compressing the opposite one. Flexoelectric materials have the additional property of becoming electrically polarized when bent. The associated energy cost can additionally contribute to elasticity via strain gradients, particularly at small length scales where they are geometrically enhanced. Here, we present nanomechanical measurements of freely suspended SrTiO 3 crystalline membrane drumheads. In this work, we observe an unexpected nonmonotonic thickness dependence of Young’s modulus upon small deflections. Furthermore, the modulus inferred from a predominantly bending deformation is three times larger than that of a predominantly stretching deformation for membranes thinner than 20 nm. In this regime we extract a strain gradient elastic coupling of ~2.2 μN, which could be used in new operational regimes of nanoelectro-mechanics.

36 MATERIALS SCIENCE↗

Flexible Vanadium Dioxide Photodetectors for Visible to Longwave Infrared Detection at Room Temperature

Abstract Flexible optoelectronics is a rapidly growing field, with a wide range of potential applications. From wearable sensors to bendable solar cells, curved displays, and curved focal plane arrays, the possibilities are endless. The criticality of flexible photodetectors for many of these applications is acknowledged, however, devices that are demonstrated thus far are limited in their spectral range. In this study, flexible photodetectors are demonstrated using a VO x nanoparticle ink, with an extremely broad operating wavelength range of 0.4 to 20 µm. This ink is synthesized using a simple and scalable wet‐chemical process. These photodetectors operate at room temperature and exhibit minimal variance in performance even when bent at angles of up to 100 ° at a bend radius of 6.4 mm. In addition, rigorous strain testing of 100 bend and release cycles revealed a photoresponse with a standard deviation of only 0.55%. This combination of mechanical flexibility, wide spectral response, and ease of fabrication makes these devices highly desirable for a wide range of applications, including low‐cost wearable sensors and hyperspectral imaging systems.

36 MATERIALS SCIENCE↗

A bending test protocol for characterizing the mechanical performance of flexible photovoltaics

Flexible photovoltaics (PV) represents a promising research field with great potential for wearable, portable, and indoor applications. Significant progress has been made in recent years, with flexible emerging PV reporting power conversion efficiency (PCE) over 24%. Yet, there is a need for a unifying protocol to assess PV performance, compare research results, and evaluate the state- of-the-art achievements in flexible PV. In this paper, a consensus protocol is presented for measuring PCE over 1,000 bending cycles under 1% strain. Moreover, several good practice guidelines are proposed including bending procedures, flexibility testing with and without encapsulation, and ambient conditions during testing (e.g., temperature, humidity, illumination). Notably, the importance of uniform application of bending radius and the testing of parallel and perpendicular orientations of bending axis with respect to the direction of the electric current are emphasized. These recommendations aim to promote consistency in device comparison and allow for better reproducibility.

Fukuda, Kenjiro↗

Domain patterns and super-elasticity of freestanding BiFeO 3 membranes via phase-field simulations

Super-elasticity of functional ferroelectric oxides offers promises for integrating ferroelectric films into flexible electronics. However, super-elastic deformation is a complex phenomenon related to possibly multiple concurrent mechanisms. Fundamentally understanding how multiple mechanisms contribute to the super-elasticity of ferroelectric oxides is crucial to realizing their potential flexible electronic applications. In this study, we employ phase-field simulations to model the dynamics of ferroelectric domain patterns of freestanding BiFeO 3 membranes to understand the origin of their super-elasticity under substantial bending deformation (5% strain). It is demonstrated that both a reversible Rhombohedral-Tetragonal (R-T) phase transition and a nearly reversible domain evolution of BiFeO 3 membranes contribute to accommodating the large deformation and thus their super-elasticity. The dynamics of domain evolution also reveal the formation of an exotic ferroelectric vortex and polarization rotation before the phase transition. We constructed a diagram of phases and domain patterns as a function of the membrane thickness and bending angle, which allows one to readily predict the emergence of T phase and ferroelectric vortex in bent BFO membranes. These results not only provide fundamental understanding of mesoscale super-elastic mechanisms but also reveal exotic domain states of ferroelectric membranes.

36 MATERIALS SCIENCE↗

High stability of flexible perovskite transparent conductive oxide film via van der Waals heteroepitaxy

Transparent conducting oxides (TCOs), such as indium-tin oxide (ITO) and indium gallium zinc oxide (IGZO), are essential components in the design of flexible optoelectronic devices. However, it is still a challenge to prepare low-cost flexible transparent conductive film for achieving the flexible functionality together with high optical transparency and electrical conductivity. Herein, fluorphlogopite (mica) is selected as the bendable and transparent substrate for the fabrication of low-cost perovskite CaVO 3 TCO epitaxial film. Benefitting from thin mica substrate with high Young’s modulus of 200 GPa, flexible CaVO 3 TCO epitaxial film exhibits high mechanical stability in terms of electrical conductivity and optical transparency after bending up to 10 5 cycles. The change of resistance can reflect the bending curvature and strain state. Finally, our results provide a new pathway to design superior mechanical flexibility and stability CaVO 3 TCO films for application in flexible, light-weight, and portable smart optoelectronic devices.

36 MATERIALS SCIENCE↗

All 2D Material Printed Diodes and Circuits on Paper for Sustainable Electronics

Sustainable electronics aim to reduce environmental impact by using ecofriendly materials, energy-efficient manufacturing, and recyclable components. However, existing approaches rely on complex, resource-intensive methods, rare metals, or nanomaterials with limited stability as well as plastic substrates, raising sustainability issues. Solution-processed two-dimensional (2D) materials offer a promising alternative: water-based and biocompatible conductive, semiconductive, and insulating 2D material inks can be produced with scalable techniques and are suitable for the fabrication of fully printed devices on low-cost and biodegradable paper substrates. However, 2D material only and fully printed diodes on paper have not yet been reported. Here, we demonstrate fully inkjet-printed 2D material-based diodes on paper using metal-insulator-semiconductor and metal-insulator-metal-semiconductor architectures. Water-based graphene and MoS2 inks, prepared by liquid-phase exfoliation, are used for the metallic and insulating films, while electrochemical exfoliation is used to produce the semiconducting MoS2 ink. The highest forward-to-reverse current ratio obtained is 330 (at ±2 V), while the forward current density is 1 mA/cm2 (at 1 V), making the diode performance comparable to the best solution-processed diodes reported so far. However, in contrast to previous works, fabrication occurs entirely at room temperature and ambient pressure, without using high-pressure sputtering, thermal evaporation, and any precious metal ink. The devices maintain stable performance under bending up to strain of 4% over 10,000 cycles. Finally, the diodes are successfully integrated with other 2D-material based electrical components to realize fully printed RC circuits, differentiators, integrators, and AC-to-DC converters onto paper, hence demonstrating the suitability of our approach for sustainable and disposable integrated circuits.

2D materials↗

Charge Separation in Monolayer WSe 2 by Strain Engineering: Implications for Strain-Induced Diode Action

Strain-engineering band structure in transition-metal dichalcogenides (TMDC) is a promising avenue toward capabilities in optoelectronics. For example, controlling the flow of optically generated quasiparticles can be achieved by a localized strain field which reduces the bandgap and generates an energy-band gradient that funnels neutral excitons to the strain apex. It would be even more advantageous to mimic a diode’s internal field, where both conduction and valence bands bend in the same direction, to separate electrons and holes. This can be achieved if the strain in the TMDC layer lowers both the conduction band minimum as well as the valence band maximum during strain-induced band narrowing. Here, we have used density functional theory (DFT) calculations of monolayer WSe 2 electronic structure under biaxial strain to show that WSe 2 has this property. In this work, to test the band bending experimentally, we combined localized strain with electrostatic doping to follow photoluminescence from excitons and positive or negative trions. In unstrained WSe 2 , both positive and negative trion emissions dominate over excitons away from charge neutrality. In contrast, for strained areas, negative trions accumulate, while positive trion emission is near zero away from charge neutrality, indicating a lack of holes. Hence, strain bends both conduction and valence bands down, similarly to the band bending in a PN-diode depletion region, providing an opportunity to separate electrons and holes via localized strain.

2D materials↗

Develop a new integrated macro→micro←nano (MMN) multiscale modeling framework to optimize high strength aluminum alloys and processes for vehicle light-weighting​

Bending tests provide a means to study plane strain fracture performance of 6000 series aluminum alloys. Metrics from bending tests have been correlated with self-pierce riveting (SPR) performance of a high strength AA6111 automotive aluminum alloy in previous works. Using the ORNL HPC resources, this project developed an innovative macro→micro←nano (MMN) multiscale microstructure-based finite element (FE) code to further understanding of the relationship between microstructure and fracture properties of high-strength 6000-series alloys. This work started with microstructural characterization in both mesoscale and nanoscale and bending performance characterization of AA6111 HS2-T6 alloy at Ford, the MMN framework was applied to this alloy to simulate 3-point VDA bending. From the results of the macro-modeling of 3-point VDA bending, the critical region of fracture was identified, and the region geometry was used to construct the micro-model. The fracture criterion of micron-scale precipitates and aluminum matrix which contains submicron and nano particles (AL-SMP-NP) in the micro-model was calibrated and validated by comparing simulated and measured bending results. With the AL-SMP-NP fracture strain obtained, the fracture strain of Al-matrix containing nano particles (ALNP) will similarly be determined by a submicron scale-model using an edge-constrained FE modeling approach developed by Hu et al. With the ALNP fracture strain obtained, the fracture strain of Al-matrix containing no particles will similarly be determined by a nano scale-model using an edge-constrained FE modeling approach. After the MMN framework is built and fracture criterion calibrated, nano-model FE simulations with virtual microstructures was performed to obtain a reduced order model (ROM) of the fracture criterion of the ALNP as a function of volume fraction, size, and distribution of the nanoparticle. This nano→submicron→micro modeling part allows exploration of the influence of different material nanostructures from different process conditions on the bending properties within the multiscale bending simulation framework and the ROM of material bendability as a function of nanoparticle size and shape was established. This obtained reduced order model (ROM) could help guide the design and selection of materials to improve existing SPR process models that could replace trial-and-error rivet/die selection and help to design new rivet/die combinations capable of robustly joining new higher strength 6000 5 series alloys in automotive body structures. This would enable lightweighting of Ford vehicles leading to greater fuel efficiency and reduce manufacturing time and energy.

36 MATERIALS SCIENCE↗