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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Influence of Gas Flow Rate for Formation of Aligned Nanorods in ZnO Thin Films for Solar-Driven Hydrogen Production

ZnO thin films have been deposited in mixed Ar/N{sub 2} gas ambient at substrate temperature of 500 C by radiofrequency sputtering of ZnO targets. We find that an optimum N{sub 2}-to-Ar ratio in the deposition ambient promotes the formation of well-aligned nanorods. ZnO thin films grown in ambient with 25% N{sub 2} gas flow rate promoted nanorods aligned along c-axis and exhibit significantly enhanced photoelectrochemical (PEC) response, compared with ZnO thin films grown in an ambient with different N{sub 2}-to-Ar gas flow ratios. Our results suggest that chamber ambient is critical for the formation of aligned nanostructures, which offer potential advantages for improving the efficiency of PEC water splitting for H{sub 2} production.

14 SOLAR ENERGY↗
DOE OSTI2016

Dislocation mediated alignment during metal nanoparticle coalescence

Dislocation mediated alignment processes during gold nanoparticle coalescence were studied at low and high temperatures using molecular dynamics simulations and transmission electron microscopy. Particles underwent rigid body rotations immediately following attachment in both low temperature (500 K) simulated coalescence events and low temperature (~315 K) transmission electron microscopy beam heating experiments. In many low temperature simulations, some degree of misorientation between particles remained after rigid body rotations, which was accommodated by grain boundary dislocation nodes. These dislocations were either sessile and remained at the interface for the duration of the simulation or dissociated and cross-slipped through the adjacent particles, leading to improved co-alignment. Minimal rigid body rotations were observed during or immediately following attachment in high temperature (1100 K) simulations, which is attributed to enhanced diffusion at the particles' interface. However, rotation was eventually induced by {111} slip on planes parallel to the neck groove. These deformation modes led to the formation of single and multi-fold twins whose structures depended on the initial orientation of the particles. The driving force for {111} slip is attributed to high surface stresses near the intersection of low energy {111} facets in the neck region. The details of this twinning process were examined in detail using simulated trajectories, and the results reveal possible mechanisms for the nucleation and propagation of Shockley partials on consecutive planes. Deformation twinning was also observed in-situ using transmission electron microscopy, which resulted in the co-alignment of a set of the particles' {111} planes across their grain boundary and an increase in their dihedral angle. As a result, this constitutes the first detailed experimental observation of deformation twinning during nanoparticle coalescence, validating simulation results presented here and elsewhere.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Nematic cell alignment directs calcium waves in an epithelial monolayer

Tissues rely on supracellular signals to coordinate their cells over a long range. Two such tissuescale cues are calcium waves and patterns of cell-cell alignment or nematic order. During wound healing, for example, calcium waves propagate across a tissue to guide directed cell migration and reepithelialization. Defects in long-range cell-cell alignment, or nematic orientation, can act to localize morphogenetic events in a tissue. Although these two cues have been considered in isolation, we demonstrate a relationship in epithelial tissue between long-range calcium signaling and the cell’s nematic order: The speed of a wound-induced calcium wave depends monotonically on the angle between the wave vector and cell axis, with maximal wave speed occurring perpendicular to the tissue’s orientation. Including anisotropic di↵usive coupling between cells in a canonical reactiondi↵usion model recapitulates our measured calcium wave dynamics. Our model demonstrates how orientation defects can desynchronize information propagation across a tissue. A calcium wave front is bent around nematic defects, therefore cells the same distance from a wound can receive the calcium signal at di↵erent times. Our work elucidates how spatial patterns in global cell alignment can control collective communication via calcium signaling during development, wound healing, and disease.

Winterstrain, Annemarie C. [Brandeis University, W↗
DOE OSTI2015

Structure and ionic conductivity of well-aligned polycrystalline sodium titanogallate grown by reactive diffusion

We prepared the b-axis-oriented polycrystalline Na{sub 0.85}Ti{sub 0.51}Ga{sub 4.37}O{sub 8} (NTGO) embedded in Ga{sub 2}O{sub 3}-doped Na{sub 2}Ti{sub 4}O{sub 9} matrix using the reactive diffusion technique. When the sandwich-type Ga{sub 2}TiO{sub 5}/NaGaO{sub 2}/Ga{sub 2}TiO{sub 5} diffusion couple was heated at 1323 K for 24 h, the NTGO polycrystal was readily formed in the presence of a liquid phase. The resulting polycrystalline material was characterized by X-ray diffractometry, electron microscopy and impedance spectroscopy. We mechanically processed the annealed diffusion couple and obtained the thin-plate electrolyte consisting mostly of the grain-aligned NTGO polycrystal. The ionic conductivity (σ) of the electrolyte along the common b-axis direction steadily increased from 1.3×10{sup −4} to 7.3×10{sup −3} S/cm as the temperature increased from 573 to 1073 K. There was a slope change at ca. 792 K for the Arrhenius plot of σ; the activation energies were 0.39 eV above this temperature and 0.57 eV below it. The NTGO showed the crystal structure (space group C2/m) with substantial positional disordering of one of the two Ga sites. The Na{sup +} ions occupied ca. 43% of the Wyckoff position 4i site, the deficiency of which would contribute to the relatively high ionic conductivity along the b-axis. The reactive diffusion could be widely applicable as the novel technique to the preparation of grain-aligned ceramics of multi-component systems. - Graphical abstract: We have prepared the b-axis-oriented Na{sub 0.85}Ti{sub 0.51}Ga{sub 4.37}O{sub 8} polycrystal embedded in Ga{sub 2}O{sub 3}-doped Na{sub 2}Ti{sub 4}O{sub 9} matrix by the heat treatment of sandwich-type diffusion couple of Ga{sub 2}TiO{sub 5}/NaGaO{sub 2}/Ga{sub 2}TiO{sub 5}. The resulting Na{sub 0.85}Ti{sub 0.51}Ga{sub 4.37}O{sub 8} electrolyte showed the ionic conductivity ranging from 1.3×10{sup −4} S/cm at 573 K to 7.3×10{sup −3} S/cm at 1073 K. - Highlights: • The b-axis-oriented polycrystalline Na{sub 0.85}Ti{sub 0.51}Ga{sub 4.37}O{sub 8} is successfully prepared. • Crystal structure of Na{sub 0.85}Ti{sub 0.51}Ga{sub 4.37}O{sub 8} is determined by single-crystal XRD. • The polycrystal shows relatively high Na{sup +} ion conductivity along the common b-axis. • Reactive diffusion is successfully used for the preparation of grain-aligned ceramics.

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

Structural, optical and gas sensing properties of vertically well-aligned ZnO nanowires grown on graphene/Si substrate by thermal evaporation method

Highlights: • Vertically well-aligned ZnO NW arrays with high aspect ratio and extremely large-surface-volume ratio were synthesized on graphene/Si substrate without the aid of metal catalyst by a simple thermal evaporation. • The gas sensor based on the vertical ZnO NW arrays-graphene structure exhibited high sensitivity and rapid response/recovery characteristics to NO{sub 2} gas at 200oC, and could be used to detect NO{sub 2} gas at very low levels (2, 6, 10 ppm). • The excellent sensing performance is mainly because of the large specific surface area and the presence of oxygen-vacancies at the surface of ZnO NWs, together with the creation of p-n heterojunctions between n-type ZnO NW and p-type graphene. • The common defects and optical properties of the ZnO NW arrays-graphene structure were studied in detail. • The possible growth mechanism of vertically well-aligned ZnO NWs on graphene and the gas-sensing mechanism of sensors were proposed. - Abstract: We report catalyst-free vertical growth of high-density ZnO nanowire (NW) arrays on Si substrate with a graphene buffer layer by thermal evaporation method. Structural, surface morphology, chemical composition and optical properties of ZnO NWs were studied by Field emission scanning electron microscopy (FE-SEM), High-resolution transmission electron microscopy (HR-TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FTIR), photoluminescence (PL) and Raman spectroscopy. The results indicate that the grown ZnO NWs are single-crystalline and exhibit the hexagonal wurtzite crystal structure with a preferred orientation along the [0001] direction; all of the ZnO NWs vertically grow on the graphene/Si substrate. The majority of the as-grown NWs have diameters in the range of 250–300 nm and length up to several tens of micrometers, whereas a small portion of NWs have a diameter of approximately of 9–12 nm. Room temperature PL spectrum of the ZnO NWs exhibits a sharp and strong ultraviolet emission at 380 nm and a weak visible emission at around 516 nm. The role of graphene buffer layer in the vertical-aligned ZnO NW arrays growth and its improved optical properties is demonstrated. Importantly, the gas sensor based on these ZnO NWs exhibits high sensitivity and rapid response/recovery characteristics to NO{sub 2} gas at 200 °C, and can detect NO{sub 2} concentration as low as 2, 6 and 10 ppm. The excellent sensing performance is mainly due to the combination of the large specific surface area and the presence of oxygen-vacancies at the surface of ZnO NWs, together with the creation of p-n heterojunctions between n-type ZnO NW and p-type graphene. Such a ZnO NW/graphene structure is very promising for various applications, such as photonic, optoelectronic and sensor devices. In addition, the possible growth mechanism and the NO{sub 2} sensing gas mechanism of the ZnO NWs-graphene structure have been discussed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2011

Magnetic alignment of nickel-coated carbon fibers

Graphical abstract: Carbon nanofibers were subjected to a two-step pretreatment, sensitization and activation. Carbon nanofibers were encapsulated by a uniform layer of nickel nanoparticles. The prepared composites are ferromagnetic and with a small value of coercivity. Upon such functionalization, the carbon nanofibers can be aligned in a relatively small external magnetic field. Highlights: {center_dot} A simple microwave-assisted procedure for the magnetic composite. {center_dot} Dense layer of nickel on pretreated carbon nanofibers. {center_dot} Ferromagnetic properties and low coercivity. {center_dot} A long-chain aligned structure under magnetic field. -- Abstract: Magnetic composites of nickel-coated carbon nanofibers have been successfully fabricated by employing a simple microwave-assisted procedure. The scanning electron microscopy images show that a complete and uniform nickel coating with mean size of 25 nm could be deposited on carbon fibers. Magnetization curves demonstrate that the prepared composites are ferromagnetic and that the coercivity is 96 Oe. The magnetic carbon nanofibers can be aligned as a long-chain structure in an external magnetic field.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Servomotor-driven leveling elements for machine tool frame-to-floor alignment

This paper presents the results of aligning the frame to concrete floor of a large 5-axis machine tool by leveling element adjustments using servomotors instead of manual operation. The machine tool leveling elements used in this study are mechanical devices that attach the machine tool frame to the concrete foundation. These leveling elements are also adjustable so that each location along the machine tool can be uniquely adjusted such that the geometric errors of the frame are minimized, and the accuracy of the machine tool is improved. Off-the-shelf servomotors and connection equipment were installed at each of 12 leveling element locations for a precision 5-axis machine tool at Oak Ridge National Laboratory. The servomotors allow a technician to align the machine tool frame remotely, instead of crawling under the machine tool to iteratively manually adjust each of the 12 leveling elements. The open-loop servomotor-leveling element system design is presented in this paper as well as machine tool frame alignment results. The servomotor system significantly reduces leveling element adjustment time, eliminates the need for under-machine access, reduces technician physical strain, and significantly improves the adjustment repeatability.

Honeycutt, Andrew [ORNL]↗
DOE OSTI2018

Antimicrobial Properties of 2D MnO 2 and MoS 2 Nanomaterials Vertically Aligned on Graphene Materials and Ti 3 C 2 MXene

Two-dimensional (2D) nanomaterials have attracted considerable attention in biomedical and environmental applications due to their antimicrobial activity. In the interest of investigating the primary antimicrobial mode-of-action of 2D nanomaterials, we studied the antimicrobial properties of MnO 2 and MoS 2 , toward Gram-positive and Gram-negative bacteria. Bacillus subtilis and Escherichia coli bacteria were treated individually with 100 μg/mL of randomly oriented and vertically aligned nanomaterials for ~3 h in the dark. The vertically aligned 2D MnO 2 and MoS 2 were grown on 2D sheets of graphene oxide, reduced graphene oxide, and Ti 3 C 2 MXene. Measurements to determine the viability of bacteria in the presence of the 2D nanomaterials performed by using two complementary techniques, flow cytometry, and fluorescence imaging showed that, while MnO 2 and MoS 2 nanosheets show different antibacterial activities, in both cases, Gram-positive bacteria show a higher loss in membrane integrity. Scanning electron microscopy images suggest that the 2D nanomaterials, which have a detrimental effect on bacteria viability, compromise the cell wall, leading to significant morphological changes. Here, we propose that the peptidoglycan mesh (PM) in the bacterial wall is likely the primary target of the 2D nanomaterials. Vertically aligned 2D MnO 2 nanosheets showed the highest antimicrobial activity, suggesting that the edges of the nanosheets were likely compromising the cell walls upon contact.

2D nanomaterials↗
DOE OSTI2023

Fast Water Transport through Subnanometer Diameter Vertically Aligned Carbon Nanotube Membranes

Small-diameter carbon nanotubes (CNTs) have outstanding mass-transport properties, especially enhanced water flow. Here, we report on water transport through the first macroscopic membranes with vertically oriented, subnanometer (0.8 nm) CNT pores, made by a scalable, solution-based method with electric-field alignment of bulk-grown single-wall CNTs (SWCNTs). After plasma etching to open pores, vertically aligned CNTs served as the primary pathway for liquid-water transport. The CNT membranes showed fast pressure-driven water transport, with up to 105-fold enhancement compared to no-slip Hagen–Poiseuille flow. Comparing 0.8 and 3 nm CNTs, we found that the hydrodynamic slip lengths increased with decreasing nanotube diameter, reaching 8.5 μm for the smaller-diameter CNTs. Here, the results suggest that pressure-driven water transport in small-diameter CNTs is increasingly dominated by entrance resistance, thus becoming independent of nanotube length. Scalably fabricated membranes incorporating vertically aligned subnanometer CNT pores could have applications in water filtration, desalination, and energy harvesting.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Comparing Quasiparticle H 2 O Level Alignment on Anatase and Rutile TiO 2

Knowledge of the alignment of molecular frontier levels in the ground state can be used to predict the photocatalytic activity of an interface. The position of the adsorbate’s highest occupied molecular orbital (HOMO) levels relative to the substrate’s valence band maximum (VBM) in the interface describes the favorability of photogenerated hole transfer from the VBM to the adsorbed molecule. This is a key quantity for assessing and comparing H 2 O photooxidation activities on two prototypical photocatalytic TiO 2 surfaces: anatase (A)-TiO 2 (101) and rutile (R)-TiO 2 (110). Using the projected density of states (DOS) from state-of-the-art quasiparticle (QP) G 0 W 0 calculations, we assess the relative photocatalytic activity of intact and dissociated H 2 O on coordinately unsaturated (Ticus) sites of idealized stoichiometric A-TiO 2 (101)/R-TiO 2 (110) and bridging O vacancies (O br vac ) of defective A-TiO 2-x (101)/R-TiO 2-x (110) surfaces (x = 1/4, 1/8) for various coverages. Such a many-body treatment is necessary to correctly describe the anisotropic screening of electron-electron interactions at a photocatalytic interface and, hence, obtain accurate interfacial level alignments. The more favorable ground state HOMO level alignment for A-TiO 2 (101) may explain why the anatase polymorph shows higher photocatalytic activities than the rutile polymorph. Our results indicate that (1) hole trapping is more favored on A-TiO 2 (101) than RTiO 2 (110) and (2) HO@Ti cus is more photocatalytically active than intact H 2 O@Ti cus .

Environmental Molecular Sciences Laboratory↗
DOE OSTI2013

Block Copolymer Nanocomposites in Electric Fields: Kinetics of Alignment

We investigate the kinetics of block copolymer/nanoparticle composite alignment in an electric field using in situ transmission small-angle X-ray scattering. As a model system, we employ a lamellae forming polystyrene-block-poly(2-vinyl pyridine) block copolymer with different contents of gold nanoparticles in thick films under solvent vapor annealing. While the alignment improves with increasing nanoparticle fraction, the kinetics slows down. This is explained by changes in the degree of phase separation and viscosity. Our findings provide extended insights into the basics of nanocomposite alignment.

Liedel, Clemens↗
DOE OSTI2015

Controlling band alignments by artificial interface dipoles at perovskite heterointerfaces

The concept ‘the interface is the device' is embodied in a wide variety of interfacial electronic phenomena and associated applications in oxide materials, ranging from catalysts and clean energy systems to emerging multifunctional devices. Many device properties are defined by the band alignment, which is often influenced by interface dipoles. On the other hand, the ability to purposefully create and control interface dipoles is a relatively unexplored degree of freedom for perovskite oxides, which should be particularly effective for such ionic materials. Here we demonstrate tuning the band alignment in perovskite metal-semiconductor heterojunctions over a broad range of 1.7 eV. This is achieved by the insertion of positive or negative charges at the interface, and the resultant dipole formed by the induced screening charge. This approach can be broadly used in applications where decoupling the band alignment from the constituent work functions and electron affinities can enhance device functionality.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Thickness-independent capacitance of vertically aligned liquid-crystalline MXenes

The scalable and sustainable manufacture of thick electrode films with high energy and power densities is critical for the large-scale storage of electrochemical energy for application in transportation and stationary electric grids. Two-dimensional nanomaterials have become the predominant choice of electrode material in the pursuit of high energy and power densities owing to their large surface-area-to-volume ratios and lack of solid-state diffusion. However, traditional electrode fabrication methods often lead to restacking of two-dimensional nanomaterials, which limits ion transport in thick films and results in systems in which the electrochemical performance is highly dependent on the thickness of the film. Strategies for facilitating ion transport—such as increasing the interlayer spacing by intercalation or introducing film porosity by designing nanoarchitectures—result in materials with low volumetric energy storage as well as complex and lengthy ion transport paths that impede performance at high charge–discharge rates. Vertical alignment of two-dimensional flakes enables directional ion transport that can lead to thickness-independent electrochemical performances in thick films. However, so far only limited success has been reported, and the mitigation of performance losses remains a major challenge when working with films of two-dimensional nanomaterials with thicknesses that are near to or exceed the industrial standard of 100 micrometres. Here we demonstrate electrochemical energy storage that is independent of film thickness for vertically aligned two-dimensional titanium carbide (Ti 3 C 2 T x ), a material from the MXene family (two-dimensional carbides and nitrides of transition metals (M), where X stands for carbon or nitrogen). The vertical alignment was achieved by mechanical shearing of a discotic lamellar liquid-crystal phase of Ti 3 C 2 T x . The resulting electrode films show excellent performance that is nearly independent of film thickness up to 200 micrometres, which makes them highly attractive for energy storage applications. In conclusion, the self-assembly approach presented here is scalable and can be extended to other systems that involve directional transport, such as catalysis and filtration.

25 ENERGY STORAGE↗
DOE OSTI2017

Rapid alignment of nanotomography data using joint iterative reconstruction and reprojection

As x-ray and electron tomography is pushed farther into the nanoscale, the limitations of rotation stages become more apparent leading to challenges in the alignment of the acquired projection images. Here we present an approach for rapid post-acquisition alignment of these projections to obtain high quality 3D images. Our approach is based on a joint estimation of alignment errors, and the object, using an iterative refinement procedure. We characterize convergence in simulations, and show its application in x-ray and electron nanotomography.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

Controllable growth of vertically aligned graphene on C-face SiC

We investigated how to control the growth of vertically aligned graphene on C-face SiC by varying the processing conditions. It is found that, the growth rate scales with the annealing temperature and the graphene height is proportional to the annealing time. Temperature gradient and crystalline quality of the SiC substrates influence their vaporization. The partial vapor pressure is crucial as it can interfere with further vaporization. A growth mechanism is proposed in terms of physical vapor transport. The monolayer character of vertically aligned graphene is verified by Raman and X-ray absorption spectroscopy. With the processed samples, d 0 magnetism is realized and negative magnetoresistance is observed after Cu implantation. We also prove that multiple carriers exist in vertically aligned graphene.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Self-assembled HfO 2 -Au nanocomposites with ultra-fine vertically aligned Au nanopillars

Oxide-metal-based hybrid materials have gained great research interest in recent years owing to their potential for multifunctionality, property coupling, and tunability. Specifically, oxide-metal hybrid materials in a vertically aligned nanocomposite (VAN) form could produce pronounced anisotropic physical properties, e.g., hyperbolic optical properties. Herein, self-assembled HfO 2 -Au nanocomposites with ultra-fine vertically aligned Au nanopillars (as fine as 3 nm in diameter) embedded in a HfO 2 matrix were fabricated using a one-step self-assembly process. The film crystallinity and pillar uniformity can be obviously improved by adding an ultra-thin TiN-Au buffer layer during the growth. Here, the HfO 2 -Au hybrid VAN films show an obvious plasmonic resonance at 480 nm, which is much lower than the typical plasmonic resonance wavelength of Au nanostructures, and is attributed to the well-aligned ultra-fine Au nanopillars. Coupled with the broad hyperbolic dispersion ranging from 1050 nm to 1800 nm in wavelength, and unique dielectric HfO 2 , this nanoscale hybrid plasmonic metamaterial presents strong potential for the design of future integrated optical and electronic switching devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Polarization and dynamic phases of aligning active matter in periodic obstacle arrays

Here, we numerically examine a system of monodisperse self-propelled particles interacting with each other via simple steric forces and aligning torques moving through a periodic array of obstacles. Without obstacles, this system shows a transition to a polarized or aligned state for critical alignment parameters. In the presence of obstacles, there is still a polarization transition, but for dense enough arrays, the polarization is locked to the symmetry directions of the substrate. When the obstacle array is made anisotropic, at low densities the particles can form a quasi-isotropic state where the system can be polarized in any of the dominant symmetry directions. For intermediate anisotropy, the particles self-organize into a coherent lane state with one-dimensional polarization. In this phase, a small number of highly packed lanes are adjacent to less dense lanes that have the same polarization, but lanes further away can have the opposite polarization, so that global polarization is lost. For the highest anisotropy, hopping between lanes is suppressed, and the system forms uniformly dense uncoupled but polarized lanes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Development and operational experience of the web based application to collect, manage, and release the alignment and calibration configurations for data processing at CMS

The alignment and calibration workflows at the Compact Muon Solenoid (CMS) experiment are fundamental to provide a high quality physics data and to maintain the design performance of the experiment. To facilitate the operational efforts required by the experiment, the alignment and calibration team has developed and deployed a set of web-based applications to search, navigate and prepare a consistent set of calibrations to be consumed in reconstruction of data for physics, accessible through the Condition DB Browser. The Condition DB Browser hosts also various data management tools, including a visualization tool that allows to easily inspect alignment an calibration contents, an user-defined notification agent for delivering updates on modification to the database, a logging service for the user and the automatic online-to-offline condition uploads. In this paper we report on the operational experience of this web application from 2017 data taking, with focus on new features and tools incorporated during this period.

Md, Hasbuddin↗