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At least 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Magnetic resonance studies of three-layer FeNi/Bi/FeNi films

The interlayer coupling in three-layer FeNi/Bi/FeNi films is studied by electron magnetic resonance. The magnetic anisotropy at the permalloy–bismuth interface is shown to play a significant role in the formation of the magnetic state of the film structure. The interlayer coupling oscillation period is found to be about 8 nm. The interlayer coupling and the interface anisotropy and their temperature dependences are determined.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Holistic Design Consideration of Metal–Organic Framework-Based Composite Membranes for Lithium–Sulfur Batteries

Metal–organic framework (MOF)-based membranes have received significant attention as separators for lithium–sulfur (Li–S) batteries because of their high porosities, well-defined and tailored structures, and other tunable features that are desirable for preventing the “shuttle effect” of soluble polysulfides. Because of the insulating nature of most MOFs, composite membranes are generally constructed by a combination of MOFs and electron-conductive materials. In this work, we examine the property–performance relation between MOF-based separators and Li–S batteries by systematically adjusting the electrical conductivity, thickness, and mass loading of the MOF-based composite. Beyond the commonly referenced trapping or blocking ability of MOFs toward polysulfides, we find that by fixing the thickness of the MOF-based composite coating layer (~40 μm) on a Celgard membrane, the electrical conductivity of the MOF composite layer is of paramount importance compared with the physical/ chemical trapping ability of polysulfides. However, the trapping ability of MOFs becomes indispensable when the thickness of the composite layer is small (e.g., ~20 μm), indicating the synergetic effects of the adsorption and conversion capabilities of the thin composite layer. Furthermore, this work suggests the importance of a holistic design consideration for a MOF-based membrane for long-life and high-energy-density Li–S batteries.

25 ENERGY STORAGE↗
DOE OSTI2014

Studies of planetary boundary layer by infrared thermal imagery

The IR camera is a relatively novel device for remote sensing of atmospheric thermal processes from the Planetary Boundary Layer (PBL) based on measurements of the infrared radiation. Infrared radiation is energy radiated by the motion of atoms and molecules on the surface of aerosols, when their temperature is more than absolute zero. The IR camera measures directly the intensity of radiation emitted by aerosols which is converted by an imaging sensor into an electric signal, resulting a thermal image. Every image pixel that corresponds to a specific radiance is pre-processed to identify the brightness temperature. The thermal infrared imaging radiometer used in this study, NicAir, is a precision radiometer developed by Prata et al. The device was calibrated for the temperature range of 270–320 K and using a calibration table along with image processing software, important information about variations in temperature can be extracted from acquired IR images. The PBL is the lowest layer of the troposphere where the atmosphere interacts with the ground surfaces. The importance of PBL lies in the fact that it provides a finite but varying volume in which pollutants can disperse. The aim of this paper is to analyze the PBL altitude and thickness variations over Iasi region using the IR imaging camera as well as its behavior from day to night and thermal processes occurring in PBL.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Development of an ultrasonic pulse-echo (UPE) technique for aircraft icing studies

Aircraft operating in some cold weather conditions face the risk of icing. Icing poses a threat to flight safety and its management is expensive. Removing light frost on a clear day from a medium-size business jet can cost $300, heavy wet snow removal can cost $3,000 and removal of accumulated frozen/freezing rain can cost close to $10,000. Understanding conditions that lead to severe icing events is important and challenging. When an aircraft or rotorcraft flies in a cold climate, some of the super cooled droplets impinging on exposed aircraft surfaces may flow along the surface prior to freezing and give various forms and shapes of ice. The runback behavior of a water film on an aircraft affects the morphology of ice accretion and the rate of formation. In this study, we report the recent progress to develop an Ultrasonic Pulse-Echo (UPE) technique to provide real-time thickness distribution measurements of surface water flows driven by boundary layer airflows for aircraft icing studies. A series of initial experimental investigations are conducted in an ice wind tunnel employing an array of ultrasonic transducers placed underneath the surface of a flat plate. The water runback behavior on the plate is evaluated by measuring the thickness profile variation of the water film along the surface by using the UPE technique under various wind speed and flow rate conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Dynamic Evolution of 2D Layers within Perovskite Nanocrystals via Salt Pair Extraction and Reinsertion

Metal halide perovskite (MHP) semiconductors exhibit unprecedented optoelectronic properties coupled with low formation energies that enable scalable, cost-efficient solution processing. The low formation energies additionally facilitate dynamic transformation of the chemical composition and crystal structure of the MHP material. In this work, we show that CsBr salt is selectively extracted from CsPbBr 3 nanocrystals (NCs) to yield PbBr 2 NCs. The PbBr 2 NCs are then exposed to different glacial acetic acid ABr salt solutions to generate a variety of emissive compounds with the generic structure A' 2 A n-1 Pb n Br 3 n-1 X' 2 , where A = cesium (Cs + ), methylammonium (MA + ), formamidinium (FA+); A' = A or H+; X' = Br- or acetate (CH3COO-); and n is the number of lead halide layers, where n = 1, 2, 3, ...8. We systematically vary the ratios of PbBr 2 /ABr/CH 3 COOH and show that certain ratios result in isolable single-phase APbBr3 NCs - an effective A-site cation exchange from the parent CsPbBr 3 NCs. Importantly, time-resolved photoluminescence (PL) spectroscopy shows the dynamic evolution of many additional species as evidenced by blue-shifted emission peaks from 2.85-2.49 eV for MA + -based structures. We assign these species to n = 1, 2, 3, 4, and 5 quasi-two-dimensional network (2DN) sheets, in which CH 3 COO- anions and Br- anions compete for the c-axis X' sites separating haloplumbate(II) layers within the A' 2 A n-1 Pb n Br 3n-1 X' 2 NCs. Finally, we demonstrate the degree of CH 3 COO- incorporation, and thus the 2DN layer thickness and PL energy, is controlled in the early reaction times by kinetic factors. After a longer time (3 h), thermodynamic forces dictated by Le Chatelier's principle tune the structure in A' 2 A n-1 Pb n Br 3n-1 X' 2 NCs from exclusively n = 1 to n = 8 depending on the PbBr 2 /ABr/CH 3 COOH ratio.

14 SOLAR ENERGY↗
DOE OSTI2023

Layered Semiconductor Cr 0.32 Ga 0.68 Te 2.33 with Concurrent Broken Inversion Symmetry and Ferromagnetism: A Bulk Ferrovalley Material Candidate

The valleytronic state found in group-VI transition-metal dichalcogenides such as MoS2 has attracted immense interest since its valley degree of freedom could be used as an information carrier. However, valleytronic applications require spontaneous valley polarization. Such an electronic state is predicted to be accessible in a new ferroic family of materials, i.e., ferrovalley materials, which features the coexistence of spontaneous spin and valley polarization. Although many atomic monolayer materials with hexagonal lattices have been predicted to be ferrovalley materials, no bulk ferrovalley material candidates have been reported or proposed. Here, in this work, we show that a new non-centrosymmetric van der Waals (vdW) semiconductor Cr 0.32 Ga 0.68 Te 2.33 , with intrinsic ferromagnetism, is a possible candidate for bulk ferrovalley material. This material exhibits several remarkable characteristics: (i) it forms a natural heterostructure between vdW gaps, a quasi-two-dimensional (2D) semiconducting Te layer with a honeycomb lattice stacked on the 2D ferromagnetic slab comprised of the (Cr, Ga)-Te layers, and (ii) the 2D Te honeycomb lattice yields a valley-like electronic structure near the Fermi level, which, in combination with inversion symmetry breaking, ferromagnetism, and strong spin-orbit coupling contributed by heavy Te element, creates a possible bulk spin-valley locked electronic state with valley polarization as suggested by our DFT calculations. Further, this material can also be easily exfoliated to 2D atomically thin layers. Therefore, this material offers a unique platform to explore the physics of valleytronic states with spontaneous spin and valley polarization in both bulk and 2D atomic crystals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

Effect of bonding on the performance of a piezoactuator-based active control system

The utilization of piezoelectric actuators in controlling the structural vibrations of flexible beams is studied. A Modified Independent Modal Space Control (MIMSC) method is devised to select the optimal location, control gains and excitation voltage of the piezoelectric actuators in a way that would minimize the amplitudes of vibrations of beams to which these actuators are bonded, as well as the input control energy necessary to suppress these vibrations. The presented method accounts for the effects that the piezoelectric actuators and the bonding layers have on changing the elastic and inertial properties of the flexible beams. Numerical examples are presented to illustrate the application of the MIMSC method and to demonstrate the effect of the physical and geometrical properties of the bonding layer on the dynamic performance of the actively controlled beams. The obtained results emphasize the importance of the devised method in designing more realistic active control systems for flexible beams, in particular, and large flexible structures in general.

Baz, A.↗
DOE OSTI2015

An indirect method of studying band alignments in nBn photodetectors using off-axis electron holography

Mid-wave and long-wave infrared nBn photodetectors with absorbers consisting of InAs/InAsSb superlattices and barriers consisting of InAs/AlGaSb(As) superlattices were grown using molecular beam epitaxy. High-resolution X-ray diffraction showing significant differences in Ga composition in the barrier layer, and different dark current behavior at 77 K, suggested the possibility of different types of band alignments between the barrier layer and the absorber for the mid- and long-wave infrared samples. Examination of the barrier layers using off-axis electron holography showed the presence of positive charge with an estimated density of 1.8 × 10{sup 17}/cm{sup 3} in the mid-wave sample as a result of a type-II band alignment, whereas negligible charge was detected in the long-wave sample, consistent with a type-I band alignment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

1D model of SOL with self consistent calculation of non-coronalradiation and applications to shallow field line angles

A 1D model of the scrape off layer (SOL) is created with a physics based calculation of the impurity radiation and the inclusion of the perpendicular heat flux q ⊥ compared to previous 1D models. The calculation of the impurity radiation includes the addition of a model using parallel and perpendicular motion to calculate the impurity confinement time τ and the inclusion of charge exchange between neutral hydrogen and impurity ions. Reasonable agreement is found between the model and the 2D fluid code SOLPS-ITER. Additionally, an improvement is shown over the constant τ used in previous works The model is used to examine the effects of shallow field line angles at ITER levels of parallel heat flux (q || ). A large increase in radiation results in an increase in the upstream parallel heat flux which can still be in detachment at shallow field line angles for both q ⊥ and the calculated τ for traditional impurities (argon and nitrogen) as well as boron. The physics behind this increase in radiation at shallow field line angles is shown to be a decrease in τ and a change in the temperature profile with the inclusion of q ⊥ .

ITER↗
DOE OSTI2022

Communication—Electrodeposition of Indium Directly on Silicon

Direct electrodeposition of indium onto silicon paves the way for advances in microelectronics, photovoltaics, and optoelectronics. Indium is generally electrodeposited onto silicon utilizing a physically or thermally deposited metallic seed layer. Eliminating this layer poses benefits in microelectronics by reducing resistive interfaces and in vapor-liquid-solid conversion to III-V material by allowing direct contact to the single-crystal silicon substrate for epitaxial conversion. We investigated conditions to directly electrodeposit indium onto n-type Si(100). We illustrate that a two-step galvanostatic plating at low temperatures can consistently produce smooth, continuous films of indium over large areas, in bump morphologies, and conformally into inverted pyramids.

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

Localization of Excitations near a Thin Structured Spacer between Linear and Nonlinear Crystals

It has been shown that localized and semi-localized stationary states exist near a thin structured defect layer between a linear medium and a Kerr nonlinear medium. Localized states are described by a monotonically decreasing amplitude of the field on the both sides of the interface between the media. Semilocalized states are characterized by the field that has the form of a standing wave in the linear medium and decreases monotonically in the nonlinear medium. Kerr media with self-focusing and defocusing are considered. The proposed model is described by a system of the linear and nonlinear Schrödinger equations with a specific potential simulating a thin structured defect layer. It has been shown that localized and semi-localized states exist in different energy ranges in the case of contact of the linear medium with the self-focusing medium. In the case of contact of the linear medium with the defocusing medium, two types of localized and semi-localized states differing in energy and field profile can exist in different energy ranges. In particular cases, expressions for energies of states of these types have been obtained and conditions of their applicability have been indicated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Nanoscale characterization of β-phase H{sub x}Li{sub 1−x}NbO{sub 3} layers by piezoresponse force microscopy

We investigate a non-destructive approach for the characterization of proton exchanged layers in LiNbO{sub 3} with sub-micrometric resolution by means of piezoresponse force microscopy (PFM). Through systematic analyses, we identify a clear correlation between optical measurements on the extraordinary refractive index and PFM measurements on the piezoelectric d{sub 33} coefficient. Furthermore, we quantify the reduction of the latter induced by proton exchange as 83 ± 2% and 68 ± 3% of the LiNbO{sub 3} value, for undoped and 5 mol. % MgO-doped substrates, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2013

X-ray microlaminography with polycapillary optics

We demonstrate layer-by-layer x-ray microimaging using polycapillary optics. The depth resolution is achieved without sample or source rotation and in a way similar to classical tomography or laminography. The method takes advantage from large angular apertures of polycapillary optics and from their specific microstructure, which is treated as a coded aperture. The imaging geometry is compatible with polychromatic x-ray sources and with scanning and confocal x-ray fluorescence setups.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Two-dimensional ferromagnetism in few-layer van der Waals crystals: Renormalized spin-wave theory and calculations

Dimensionality shapes the behavior of magnetism. Recent experiments on quasi two-dimensional (2D) van der Waals crystals have demonstrated unusual ferromagnetic orders and phase transitions distinct from their bulk counterparts. In this work, we present a method using renormalized spin-wave theory to study the ferromagnetic behavior in Heisenberg-type 2D ferromagnets, and apply our method to few-layer Cr 2 Ge 2 Te 6 crystals. Here we present the details of the method, which includes a self-consistent updating scheme of the spin-wave spectra at the Hartree-Fock level. The theoretical results obtained quantitatively explain the experimental measurements, showing strong dimensionality effects and sensitive external magnetic-field dependence which leads to easily tunable magnetism in this class of 2D materials. This method can be generalized to study various magnetic phenomena in other systems.

36 MATERIALS SCIENCE↗
DOE OSTI2014

High In-content InGaN layers synthesized by plasma-assisted molecular-beam epitaxy: Growth conditions, strain relaxation, and In incorporation kinetics

We report the interplay between In incorporation and strain relaxation kinetics in high-In-content In{sub x}Ga{sub 1-x}N (x = 0.3) layers grown by plasma-assisted molecular-beam epitaxy. For In mole fractions x = 0.13–0.48, best structural and morphological qualities are obtained under In excess conditions, at In accumulation limit, and at a growth temperature where InGaN decomposition is active. Under such conditions, in situ and ex situ analyses of the evolution of the crystalline structure with the layer thickness point to an onset of misfit relaxation after the growth of 40 nm, and a gradual relaxation during more than 200 nm, which results in an inhomogeneous strain distribution along the growth axis. This process is associated with a compositional pulling effect, i.e., indium incorporation is partially inhibited in presence of compressive strain, resulting in a compositional gradient with increasing In mole fraction towards the surface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A novel three-dimensional mesh deformation method based on sphere relaxation

In our previous work (2013) [19], we developed a disk relaxation based mesh deformation method for two-dimensional mesh deformation. In this paper, the idea of the disk relaxation is extended to the sphere relaxation for three-dimensional meshes with large deformations. We develop a node based pre-displacement procedure to apply initial movements on nodes according to their layer indices. Afterwards, the nodes are moved locally by the improved sphere relaxation algorithm to transfer boundary deformations and increase the mesh quality. A three-dimensional mesh smoothing method is also adopted to prevent the occurrence of the negative volume of elements, and further improve the mesh quality. Numerical applications in three-dimension including the wing rotation, bending beam and morphing aircraft are carried out. The results demonstrate that the sphere relaxation based approach generates the deformed mesh with high quality, especially regarding complex boundaries and large deformations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Ions Tune Interfacial Water Structure and Modulate Hydrophobic Interactions at Silica Surfaces

The structure and ultrafast dynamics of the electric double layer (EDL) are central to chemical reactivity and physical properties at solid/aqueous interfaces. While the Gouy–Chapman–Stern model is widely used to describe EDLs, it is solely based on the macroscopic electrostatic attraction of electrolytes for the charged surfaces. Structure and dynamics in the Stern layer are, however, more complex because of competing effects due to the localized surface charge distribution, surface–solvent–ion correlations, and the interfacial hydrogen bonding environment. Here, we report combined time-resolved vibrational sum frequency generation (TR-vSFG) spectroscopy with ab initio DFT-based molecular dynamics simulations (AIMD/DFT-MD) to get direct access to the molecular-level understanding of how ions change the structure and dynamics of the EDL. We show that innersphere adsorbed ions tune the hydrophobicity of the silica–aqueous interface by shifting the structural makeup in the Stern layer from dominant water–surface interactions to water–water interactions. This drives an initially inhomogeneous interfacial water coordination landscape observed at the neat interface toward a homogeneous, highly interconnected in-plane 2D hydrogen bonding (2D-HB) network at the ionic interface, reminiscent of the canonical, hydrophobic air–water interface. This ion-induced transformation results in a characteristic decrease of the vibrational lifetime (T 1 ) of excited interfacial O–H stretching modes from T 1 ~ 600 fs to T 1 ~ 250 fs. Hence, we propose that the T 1 determined by TR-vSFG in combination with DFT-MD simulations can be widely used for a quantitative spectroscopic probe of the ion kosmotropic/chaotropic effect at aqueous interfaces as well as of the ion-induced surface hydrophobicity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

On the wall-normal velocity of the compressible boundary-layer equations

Numerical methods for the compressible boundary-layer equations are facilitated by transformation from the physical (x,y) plane to a computational (xi,eta) plane in which the evolution of the flow is 'slow' in the time-like xi direction. The commonly used Levy-Lees transformation results in a computationally well-behaved problem for a wide class of non-similar boundary-layer flows, but it complicates interpretation of the solution in physical space. Specifically, the transformation is inherently nonlinear, and the physical wall-normal velocity is transformed out of the problem and is not readily recovered. In light of recent research which shows mean-flow non-parallelism to significantly influence the stability of high-speed compressible flows, the contribution of the wall-normal velocity in the analysis of stability should not be routinely neglected. Conventional methods extract the wall-normal velocity in physical space from the continuity equation, using finite-difference techniques and interpolation procedures. The present spectrally-accurate method extracts the wall-normal velocity directly from the transformation itself, without interpolation, leaving the continuity equation free as a check on the quality of the solution. The present method for recovering wall-normal velocity, when used in conjunction with a highly-accurate spectral collocation method for solving the compressible boundary-layer equations, results in a discrete solution which is extraordinarily smooth and accurate, and which satisfies the continuity equation nearly to machine precision. These qualities make the method well suited to the computation of the non-parallel mean flows needed by spatial direct numerical simulations (DNS) and parabolized stability equation (PSE) approaches to the analysis of stability.

Pruett, C. David↗