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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 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Resonance Tunneling of Electromagnetic Waves for Enhancing the Efficiency of Bolometric Photodetectors

A method for enhancing the efficiency of bolometric photodetectors is presented. The method utilizes the analogy between the process of tunneling of a flux of quantum particles through a potential barrier and the propagation of electromagnetic waves within a nontransparent medium. The calculation results demonstrate that the fraction of radiation absorbed in a detector at a certain IR frequency may be close to unity if one chooses the right thickness and permittivity of the resonator substrate below a thin metal (superconductor) layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2007

The Mixed-Phase Arctic Cloud Experiment (M-PACE)

The Mixed-Phase Arctic Cloud Experiment (M-PACE) was conducted September 27 through October 22, 2004 on the North Slope of Alaska. The primary objective was to collect a data set suitable to study interactions between microphysics, dynamics and radiative transfer in mixed-phase Arctic clouds. Observations taken during the 1997/1998 Surface Heat and Energy Budget of the Arctic (SHEBA) experiment revealed that Arctic clouds frequently consist of one (or more) liquid layers precipitating ice. M-PACE sought to investigate the physical processes of these clouds utilizing two aircraft (an in situ aircraft to characterize the microphysical properties of the clouds and a remote sensing aircraft to constraint the upwelling radiation) over the Department of Energy s Atmospheric Radiation Measurement (ARM) Climate Research Facility (ACRF) on the North Slope of Alaska. The measurements successfully documented the microphysical structure of Arctic mixed-phase clouds, with multiple in situ profiles collected in both single-layer and multi-layer clouds over two ground-based remote sensing sites. Liquid was found in clouds with temperatures down to -30 C, the coldest cloud top temperature below -40 C sampled by the aircraft. Remote sensing instruments suggest that ice was present in low concentrations, mostly concentrated in precipitation shafts, although there are indications of light ice precipitation present below the optically thick single-layer clouds. The prevalence of liquid down to these low temperatures could potentially be explained by the relatively low measured ice nuclei concentrations.

Verlinde, J.↗
DOE OSTI2016

Bright and multicolor luminescent colloidal Si nanocrystals prepared by pulsed laser irradiation in liquid

We reported the preparation of bright and multicolor luminescent colloidal Si nanocrystal (Si-nc) by pulsed UV laser irradiation to porous Si (PSi) in an organic solvent. The different-luminescence-color (different-sized) colloidal Si-nc was produced by the pulsed laser-induced fragmentation of different-sized porous nanostructures. The colloidal Si-nc samples were found to have higher photoluminescence quantum efficiencies (20%–23%) than the PSi samples (1%–3%). The brighter emission of the colloidal Si-nc was attributed to an enhanced radiative band-to-band transition rate due to the presence of a surface organic layer formed by UV laser-induced hydrosilylation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Real-time monitoring of graphene patterning with wide-field four-wave mixing microscopy

The single atom thick two-dimensional graphene is a promising material for various applications due to its extraordinary electronic, optical, optoelectronic, and mechanical properties. The demand for developing graphene based applications has entailed a requirement for development of methods for fast imaging techniques for graphene. Here, we demonstrate imaging of graphene with femtosecond wide-field four-wave mixing microscopy. The method provides a sensitive, non-destructive approach for rapid large area characterization of graphene. We show that the method is suitable for online following of a laser patterning process of microscale structures on single-layer graphene.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Negative to positive crossover of the magnetoresistance in layered WS{sub 2}

The discovery of graphene ignited intensive investigation of two-dimensional materials. A typical two-dimensional material, transition metal dichalcogenide (TMDC), attracts much attention because of its excellent performance in field effect transistor measurements and applications. Particularly, when TMDC reaches the dimension of a few layers, a wide range of electronic and optical properties can be detected that are in striking contrast to bulk samples. In this letter, we synthesized WS{sub 2} single-crystal nanoflakes using physical vapor deposition and carried out a series of measurements of the contact resistance and magnetoresistance. Focused ion beam (FIB) technology was applied to deposit Pt electrodes on the WS{sub 2} flakes, and the FIB-deposited contacts exhibited linear electrical characteristics. Resistance versus temperature measurements showed similar Mott variable range hopping behavior in different magnetic fields. Additionally, a temperature-modulated negative-to-positive magnetoresistance transition was observed. Our work reveals the magnetotransport characteristics of WS{sub 2} flakes, which may stimulate further studies of the properties of TMDC and its corresponding electronic and optoelectronic applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Morphological instability of Ag films caused by phase transition in the underlying Ta barrier layer

Wide-bandgap (WBG) semiconductor technologies are maturing and may provide increased device performance in many fields of applications, such as high-temperature electronics. However, there are still issues regarding the stability and reliability of WBG devices. Of particular importance is the high-temperature stability of interconnects for electronic systems based on WBG-semiconductors. For metallization without proper encapsulation, morphological degradation can occur at elevated temperatures. Sandwiching Ag films between Ta and/or TaN layers in this study is found to be electrically and morphologically stabilize the Ag metallization up to 800 °C, compared to 600 °C for uncapped films. However, the barrier layer plays a key role and TaN is found to be superior to Ta, resulting in the best achieved stability, whereas the difference between Ta and TaN caps is negligible. The β-to-α phase transition in the underlying Ta barrier layer is identified as the major cause responsible for the morphological instability observed above 600 °C. It is shown that this phase transition can be avoided using a stacked Ta/TaN barrier.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Framework to predict optimal buffer layer pairing for thin film solar cell absorbers: A case study for tin sulfide/zinc oxysulfide

An outstanding challenge in the development of novel functional materials for optoelectronic devices is identifying suitable charge-carrier contact layers. Herein, we simulate the photovoltaic device performance of various n-type contact material pairings with tin(II) sulfide (SnS), a p-type absorber. The performance of the contacting material, and resulting device efficiency, depend most strongly on two variables: conduction band offset between absorber and contact layer, and doping concentration within the contact layer. By generating a 2D contour plot of device efficiency as a function of these two variables, we create a performance-space plot for contacting layers on a given absorber material. For a simulated high-lifetime SnS absorber, this 2D performance-space illustrates two maxima, one local and one global. The local maximum occurs over a wide range of contact-layer doping concentrations (below 10{sup 16 }cm{sup −3}), but only a narrow range of conduction band offsets (0 to −0.1 eV), and is highly sensitive to interface recombination. This first maximum is ideal for early-stage absorber research because it is more robust to low bulk-minority-carrier lifetime and pinholes (shunts), enabling device efficiencies approaching half the Shockley-Queisser limit, greater than 16%. The global maximum is achieved with contact-layer doping concentrations greater than 10{sup 18 }cm{sup −3}, but for a wider range of band offsets (−0.1 to 0.2 eV), and is insensitive to interface recombination. This second maximum is ideal for high-quality films because it is more robust to interface recombination, enabling device efficiencies approaching the Shockley-Queisser limit, greater than 20%. Band offset measurements using X-ray photoelectron spectroscopy and carrier concentration approximated from resistivity measurements are used to characterize the zinc oxysulfide contacting layers in recent record-efficiency SnS devices. Simulations representative of these present-day devices suggest that record efficiency SnS devices are optimized for the second local maximum, due to low absorber lifetime and relatively well passivated interfaces. By employing contact layers with higher carrier concentrations and lower electron affinities, a higher efficiency ceiling can be enabled.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Growth and characterization of van der Waals heterostuctures formed by the topological insulator Bi{sub 2}Se{sub 3} and the trivial insulator SnSe{sub 2}

The formation, structure and electronic properties of SnSe{sub 2}–Bi{sub 2}Se{sub 3} van der Waals heterostructures were studied. Both heterostructures, SnSe{sub 2} on Bi{sub 2}Se{sub 3} and Bi{sub 2}Se{sub 3} on SnSe{sub 2}, were grown epitaxially with high crystallinity and sharp interfaces. Their electron band structures are of trivial and topological insulators, respectively. The Dirac surface states of Bi{sub 2}Se{sub 3} survive under the SnSe{sub 2} overlayer. One triple layer of SnSe{sub 2} was found to be an efficient spacer for separating a Bi{sub 2}Se{sub 3} topological-insulator slab into two and creating the corresponding topological surface states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Superconductivity in a unique type of copper oxide

The mechanism of superconductivity in cuprates remains one of the big challenges of condensed matter physics. High-T c cuprates crystallize into a layered perovskite structure featuring copper oxygen octahedral coordination. Due to the Jahn Teller effect in combination with the strong static Coulomb interaction, the octahedra in high-Tc cuprates are elongated along the c axis, leading to a 3dx 2 -y 2 orbital at the top of the band structure wherein the doped holes reside. This scenario gives rise to 2D characteristics in high-T c cuprates that favor d-wave pairing symmetry. Here, we report superconductivity in a cuprate Ba 2 CuO 4-y , wherein the local octahedron is in a very exceptional compressed version. The Ba 2 CuO 4-y compound was synthesized at high pressure at high temperatures and shows bulk superconductivity with critical temperature (T c ) above 70 K at ambient conditions. This superconducting transition temperature is more than 30 K higher than the T c for the isostructural counterparts based on classical La 2 CuO 4 . X-ray absorption measurements indicate the heavily doped nature of the Ba 2 CuO 4-y superconductor. In compressed octahedron, the 3d3z 2 -r 2 orbital will be lifted above the 3dx 2 -y 2 orbital, leading to significant 3D nature in addition to the conventional 3dx 2 -y 2 orbital. This work sheds important light on advancing our comprehensive understanding of the superconducting mechanism of high T c in cuprate materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

The role of electro-explosion alloying with titanium diboride and treatment with pulsed electron beam in the surface modification of VT6 alloy

The paper presents the results of the investigation of VT6 titanium alloy subjected to electro-explosion alloying with TiB{sub 2} and irradiation with pulsed electron beam. It was established that electro-explosion alloying resulted in a high level of roughness of the surface layer with high adhesion of the modified layer and matrix. Further irradiation of the material with electron beam resulted in the smoothing of the surface of alloying and formation of a porous structure with various scale levels in the surface layer. It was also established that the energetic exposure causes the formation of a gradient structure with a changing elemental composition along the direction from the surface of alloying.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Metastable CaSH 3 Phase Composed of HS Honeycomb Sheets that is Superconducting Under Pressure

Evolutionary searches have predicted a number of ternary Ca–S–H phases that could be synthesized at pressures of 100–300 GPa. P6 3 /mmc CaSH 2 , Pnma CaSH 2 , Cmc2 1 CaSH 6 , and I$\bar{4}$CaSH 20 were composed of a Ca–S lattice along with H 2 molecules coordinated in a “side-on” fashion to Ca. The H–H bond lengths in these semiconducting phases were elongated because of H 2 σ → Ca d donation, and Ca d → H 2 σ* back-donation, via a Kubas-like mechanism. P$\bar{6}$m2 CaSH 3 , consisting of two-dimensional HS and CaH 2 sheets, was metastable and metallic above 128 GPa. The presence of van Hove singularities increased its density of states at the Fermi level and concomitantly the superconducting critical temperature, which was estimated to be as high as ~100 K at 128 GPa. Furthermore, this work will inspire the search for superconductivity in materials based upon honeycomb HX (X = S, Se, Te) and MH 2 (M = Mg, Ca, Sr, Ba) layers under pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Hydrogen Bonding Inside Anionic Polymeric Brush Layer: Machine Learning-Driven Exploration of the Relative Roles of the Polymer Steric Effect, Charging, and Type of Screening Counterions

This paper employs a combination of all-atom molecular dynamics (MD) simulations and unsupervised machine learning (ML) for studying the water-water hydrogen bonds (HBs) inside the anionic poly-acrylic acid (PAA) brushes modeled using all-atom MD simulations. PAA brush layer with different charge fraction (f), namely f=0, f=0.25, and f=1, is considered. Water-water interactions, both inside and outside the brush layer, are represented through distinct clusters of tupules of variables representing distances associated with the interacting water molecules. While clusters representing the HBs are present for water inside and outside the brushes, several clusters representing the long-range water-water interactions are missing for the water molecules inside the highly charged (f=1) PAA brushes. More importantly, inside highly charged brushes, the edge of the clusters representing the water-water HBs is progressively shortened, as compared to that in the bulk. Both these results stem from the presence of the PAA brushes imparting the steric effect and the charge effect, or the effect associated with enhanced interactions of water molecules with PE charges and counterions, thereby disrupting the water connectivity. This water-charged-species interaction also increases the water-water HB angle, i.e., makes the water-water HBs less stable inside the highly charged PAA brush layer. The narrowing of the clusters representing the HBs and the alteration of the angle characterizing the HBs confirm that the conditions defining the water-water HBs change inside the PAA brush layer as a function of the charges on the PAA brush layer. Furthermore, we show that the use of the generic definition of HBs, as compared to using our simulation-motivated modified definition of water-water HBs, overpredict the number of water-water HBs inside the PAA brush layer. Finally, we employ this all-atom-MD-ML framework to quantify the effect of other types of screening counterions (Li + , Ca 2+ , and Y 3+ ions) in determining the water-water interactions and water-water HB properties inside the PAA brush layer. Furthermore, the findings of the present study, confirming the weakening of water-water HBs inside the PAA brush layer, points to the possibility that the water molecules will be more available for hydrating the brush layer and counterions, thereby leading to a more pronounced wetting of the PAA brush layer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Dynamic Restructuring Induced Oxygen Activation on AgCu Near Surface Alloys

Recent studies have shown that the addition of Cu to Ag catalysts improves their epoxidation performance by increasing the overall selectivity of the bimetallic catalyst. We have prepared AgCu near-surface alloys and used scanning tunneling microscopy to gain an atomistic picture of O 2 dissociation on the bimetallic system. These data reveal a higher dissociative sticking probability for O 2 on AgCu than Ag(111), and density functional theory (DFT) confirms that the O 2 dissociation barrier is 0.17 eV lower on the alloy. Surprisingly, we find that after a slow initial uptake of O 2 , the sticking probability increases exponentially. Further DFT calculations indicate that surface oxygen reverses the segregation energy for AgCu, stabilizing Cu atoms in the Ag layer. These single Cu atoms in the Ag surface are found to significantly lower the O 2 dissociation barrier. Altogether, these results explain nonlinear effects in the activation of O 2 on this catalytically relevant surface alloy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

Aero-optics overview

Various aero-optical phenomena are discussed with reference to their effect on airborne high energy lasers. Major emphasis is placed on: compressibility effects induced in the surrounding flow field; viscous effects which manifests themselves as aircraft boundary layers or shear layers; inviscid flow fields surrounding the aircraft due to airflow around protuberance such as laser turret assemblies; and shocks, established whenever local flow exceeds Mach one. The significant physical parameters affecting the interaction of a laser beam with a turbulent boundary layer are also described.

Gilbert, K. G.↗
DOE OSTI2017

Photonics of 2D gold nanolayers on sapphire surface

Gold layers with thicknesses of up to several nanometers, including ordered and disordered 2D nanostructures of gold particles, have been formed on sapphire substrates; their morphology is described; and optical investigations are carried out. The possibility of increasing the accuracy of predicting the optical properties of gold layers and 2D nanostructures using quantum-mechanical models based on functional density theory calculation techniques is considered. The application potential of the obtained materials in photonics is estimated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Enabling room-temperature ferromagnetism in few-layered MoS 2 films via strain engineering

Strain engineering presents a promising pathway for modulating the physical properties of two-dimensional (2D) transition metal dichalcogenides materials. Here, in this study, we investigate the strain-induced magnetic behavior of diamagnetic MoS 2 films prepared by the DC magnetron sputtering technique. By applying +1% tensile strain to few-layered MoS 2 films (∼3.5 nm), we observe the emergence of room-temperature ferromagnetism with a magnetization saturation of about ∼130 emu/cm 3 , in stark contrast to bulk films (∼40 nm), which remain diamagnetic under similar conditions. Raman spectroscopy reveals a pronounced reduction in the intensity and the splitting of the E′ mode in 1% strained few-layered films, indicating a possible bond elongation and symmetry breaking under tensile stress. Additionally, x-ray absorption spectroscopy at the Mo M 3 edge further confirms a strain-induced electronic structure modification in few-layered films, with no corresponding shift observed in bulk counterparts. Moreover, the strain-induced magnetic and structural changes are largely reversible upon strain release. We attribute the origin of ferromagnetism in few-layered films to the combined influence of tensile strain and defect-assisted bond weakening, which facilitates crystal field transitions within the Mo 4d orbitals. These findings demonstrate that strain engineering can effectively induce and modulate magnetism in 2D materials, providing opportunities for developing strain-controlled spintronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Ion acoustic waves and double-layers in electronegative expanding plasmas

Ion acoustic waves and double-layers are observed in expanding plasmas in electronegative gases, i.e., plasmas containing an appreciable fraction of negative ions. The reported experiments are performed in argon gas with a variable amount of SF{sub 6}. When varying the amount of SF{sub 6}, the negative ion fraction increases and three main regimes were identified previously: (i) the plasma smoothly expands at low negative ion fraction, (ii) a static double-layer (associated with an abrupt potential drop and ion acceleration) forms at intermediate negative ion fraction, (iii) double-layers periodically form and propagate (in the plasma expansion direction) at high negative ion fraction. In this paper, we show that transition phases exist in between these regimes, where fluctuations are observed. These fluctuations are unstable slow ion acoustic waves, propagating in the direction opposite to the plasma expansion. These fluctuations are excited by the most unstable eigenmodes and display turbulent features. It is suggested that the static double layer forms when the ion acoustic fluctuations become non-linearly unstable: the double layer regime being a bifurcated state of the smoothly expanding regime. For the highest negative ion fraction, a coexistence of (upstream propagating) slow ion acoustic fluctuations and (downstream) propagating double layers was observed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗