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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Pareto Optimal Spectrally Selective Emitters for Thermophotovoltaics via Weak Absorber Critical Coupling

Tailoring the emission spectra of a thermophotovoltaic (TPV) emitter away from that of a blackbody has the potential to minimize transmission and thermalization loss in a photovoltaic receiver. Selective TPV emitters can lead to solar energy conversion with efficiency greater than the Shockley-Queisser limit and can facilitate the generation of useful energy from waste heat. A new design is introduced to radically tune thermal emission that leverages the interplay between two resonant phenomena in simple planar nanostructures-absorption in weakly absorbing nanofilms and reflection in multilayer dielectric stacks. A virtual screening approach is employed to identify promising structures for a selective thermal emitter from a search space of millions, several of which approach the ideal values of a step-function selective thermal emitter. One of these structures is experimentally fabricated and evaluated, which includes a weakly absorbing alloy with tailored optical properties fabricated by atomic layer deposition (ALD). The versatility of the design and fabrication approach result in an emitter with excellent spectral density (0.8 W cm(-2) sr(-1)) and spectral efficiency (46.8%) at 1373 K. Future experimental challenges to a more accurate realization of the optimal structures calculated are also considered.

atomic layer deposition↗
DOE OSTI2023

X‐ray characterization of three possible edible oleogelators: Experiment and theory

Abstract Three oleogelator molecules (Triacontane (TC), Stearic acid (SA), and Behenyl Lignocerate (BL)) were studied individually, in pairs, or all together to make an oleogel using triolein as the oil. WAXS, SAXS and USAXS were used to elucidate the solid structures from angstroms to a few micrometers. A two‐dimensional mapping of atomic positions for each molecule was carried out to understand the crystalline multilayer structures formed. We assumed that the molecules were rigidly extended and that they underwent no significant (hindered) rotations so that the free energy is determined by the Lennard‐Jones interactions of closely packed multilayers. TC molecules were predicted to form a tilt angle of , yielding a SAXS line at Å ─1 , in acceptable agreement with the measured . For SA crystals (predicted) yielding a SAXS line at compared to (observed). No mixed crystals were observed for any pair of molecules or when all three were used. USAXS data showed that SA forms large nanocrystals compared to TC and BL. All three combinations of molecular pairs showed basic scatterers smaller or similar to those of individual molecules. The theory presented here, together with the experimental results, showed why no mixed crystals are formed from two or all three molecules. Data from the USAXS region suggested that, when using all three molecules, a more compact fractal structure was obtained, compared with those if one or two of the molecules were used.

Chemistry↗
DOE OSTI2017

Review: mechanical behavior of metal/ceramic interfaces in nanolayered composites—experiments and modeling

In this study, recent experimental and modeling studies in nanolayered metal/ceramic composites are reviewed, with focus on the mechanical behaviors of metal/nitrides interfaces. The experimental and modeling studies of the slip systems in bulk TiN are reviewed first. Then, the experimental studies of interfaces, including co-deformation mechanism by micropillar compression tests, in situ TEM straining tests for the dynamic process of the co-deformation, thickness-dependent fracture behavior, and interrelationship among the interfacial bonding, microstructure, and mechanical response, are reviewed for the specific material systems of Al/TiN and Cu/TiN multilayers at nanoscale. The modeling studies reviewed cover first-principles density functional theory-based modeling, atomistic molecular dynamics simulations, and mesoscale modeling of nanolayered composites using discrete dislocation dynamics. The phase transformation between zinc-blende and wurtzite AlN phases in Al/AlN multilayers at nanoscale is also reviewed. Finally, a summary and perspective of possible research directions and challenges are given.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Analysis of Magnetization as a Function of Temperature for CoMn{sub 1−x}Fe{sub x}Ge

Our experimental measurements for the magnetization M as a function of temperature are analyzed for the multilayer structure of CoMn{sub 1−x}Fe{sub x}Ge for x = 0.085 and x = 0.12 at constant magnetic fields of 3, 5, and 7 T. For this analysis, a power-law formula is used below the transition temperature T{sub C} for these compositions and the values of the critical exponent β for the magnetization M (order parameter) are determined. Our analysis indicates that a first order transition at lower concentrations (x = 0.085) changes toward a second order at higher concentrations (x = 0.12) at constant magnetic fields (3, 5, and 7 T) for the multilayer CoMn{sub 1−x}Fe{sub x}Ge, as observed experimentally.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Structure and Magnetic Properties of Graded (001)-Oriented FePt Films Prepared by Magnetron Sputtering and Rapid Thermal Annealing

L1{sub 0}-FePt/[Fe/Pt]{sub 27} multilayer films were prepared on (100)-oriented single-crystal MgO substrates. Structural analysis indicates epitaxial growth of the L1{sub 0}-FePt films during high-temperature deposition. The room-temperature-deposited [Fe/Pt]{sub 27} multilayer exhibits the fcc-FePt structure grown epitaxially on the L1{sub 0}-FePt base layer. The degree of chemical order and thereby the anisotropy of the top layer has been controlled by varying the temperature of a post-deposition annealing process. Compared with the as-deposited films, coercivities of the films annealed below 400 {sup ∘}C are substantially decreased by introducing the formation of a graded anisotropy in the partially ordered top layer. Coercivities decrease for annealing temperatures that are greater than 400 {sup ∘}C due to improved ordering of the top layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

A Tunable Optimized Low-Temperature Sensor Based on the Hybrid Photonic Crystals (F{sub 4}/Bg{sub 5}/F{sub 4}) and (Bg{sub 5}/F{sub 4}/Bg{sub 5})

In this paper, we present a novel type of low-temperature sensor based precisely on the symmetrical hybrid photonic crystals. Thanks to the two-fluid model and the transfer matrix method, we study the temperature sensitivity of the hybrid multilayers (F{sub 4}/Bg{sub 5}/F{sub 4}) and (Bg{sub 5}/F{sub 4}/Bg{sub 5}) where F{sub 4} represents the fourth iteration of the quasi-periodic Fibonacci sequence and Bg5 designates the multilayer Bragg mirror (HLS){sub 5}. We assume that the layers H, L, and S indicate precisely the dielectric materials of Bi{sub 4}Ge{sub 3}O{sub 12}, SiO{sub 2}, and YaBO{sub 2}CuO{sub 7} superconductor one. The analysis of the transmittance spectra shows that the hybrid photonic crystal is more sensitive to the temperature than the periodic one. A higher sensibility value is reached due to the possible combination of the periodic and quasi-periodic sequences. Our investigation reveals that the photonic crystal (F{sub 4}/Bg{sub 5}/F{sub 4}) is more sensitive to low temperature compared to (Bg{sub 5}/F{sub 4}/Bg{sub 5}). The sensitivity is significantly affected by the position of quasi-periodic sequences. The sensitivity of such photonic crystals can be adequately controlled by applying a symmetrical chirping. The designed structures pave the way toward the achievement of a potential low-temperature sensor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Characterization of core–shell nanostructure consisting Si–Au–SiO{sub 2} based on manipulation of optical properties

In this article, we investigated some physical characteristics of core–shell nanostructure in optical regime and perturbation has been also introduced as an effective method in shaping of optical properties. The proposed nanostructures are composed of the selected materials as: Silicon, Silicon Dioxide and Gold. At first, the extinction cross section spectra are calculated for multilayer core–shell nanostructures in optical range and the configuration effect of the constructed materials in a multilayer nanostructure are investigated for determination of Plasmon range. Then, the new structures of core–shell nanoparticles (gold–silicon) are presented, which have an amount of impurity particle in their shells as perturbation and also their extinction cross section spectra are calculated. The obtained results in this article give a proper approach about perturbation effect in broadening, sharpening and shifting of optical response which are decisive factors especially nano-network systems. Indeed, it has been proposed that the impurity particles in the shells can be a mechanism for tuning of optical characteristics of the presented nanoparticles in practical fields and also creation of local oscillations as plasmonic resonances in a considered optical range. Besides, redshift in extinction cross section can be also created by particle perturbation. At the end, the effective permittivity of the perturbed core-shells are extracted. The optional frequency range is selected between 300 and 900 (THz).

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Microstructural Analysis and Transport Properties of Thermally Sprayed Multiple-Layer Ceramic Coatings

In this paper, multilayer, graded ceramic/metal coatings were prepared by an air plasma spray method on Ti-6Al-4V, 4140 steel and graphite substrates. The coatings were designed to provide thermal barriers for diesel engine pistons to operate at higher temperatures with improved thermal efficiency and cleaner emissions. A systematic, progressive variation in the mixture of yttria-stabilized zirconia and bondcoat alloys (NiCoCrAlYHfSi) was designed to provide better thermal expansion match with the substrate and to improve thermal shock resistance and cycle life. Heat transfer through the layers was evaluated by a flash diffusivity technique based on a model of one-dimensional heat flow. The aging effect of the as-sprayed coatings was captured during diffusivity measurements, which included one heating and cooling cycle. The hysteresis of thermal diffusivity due to aging was not observed after 100-h annealing at 800 °C. The measurements of coatings on substrate and freestanding coatings allowed the influence of interface resistance to be evaluated. Finally, the microstructure of the multilayer coating was examined using scanning electron microscope and electron probe microanalysis.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Geometry Dependence of Magnetization Reversal in Nanocomposite Alloys

The geometrical optimization of aligned hard-soft permanent-magnet nanocomposites is investigated by model calculations. Considered criteria are the shapes of the soft and c-axis-aligned hard phases, the packing fraction of the soft phase, and magnetostatic interactions. Taking into account that the energy product is enhanced via the volume fraction of the soft phase, subject to maintaining coercivity, we find that the best structures are soft-magnetic cubes as well as long rods with a square cross section. Comparing embedded soft cubes with embedded soft spheres of the same size, our nucleation-field analysis shows that the volume fraction of the soft phase is enhanced by 91%, with a coercivity reduction of only 25%. Magnetostatic interactions often but not always deteriorate the permanent-magnet performance, as exemplified by the example of MnBi:FeCo bilayers and multilayers.

magnetization reversal↗
DOE OSTI2015

Interface-Driven Plasticity in Metal–Ceramic Nanolayered Composites: Direct Validation of Multiscale Deformation Modeling via In Situ Indentation in TEM

Here, we present in situ indentation in a transmission electron microscope on Al-TiN multilayers with individual layer thicknesses of 50 nm and 2.7 nm to explore the effect of length scales on the plastic co-deformability of a metal and a ceramic. At 50 nm, plasticity was confined to the Al layers with brittle fracture in the TiN layers. At 5 nm and below, cracking in TiN was suppressed with co-deformation evident in both layers. The in situ transmission electron microscopy (TEM) straining results demonstrate a profound size effect in enhancing plastic co-deformability in nanoscale metal-ceramic multilayers, as well as direct validation of ex situ and 3-D elastic–plastic deformation models.

36 MATERIALS SCIENCE↗
DOE OSTI2019

ToF-SIMS Depth Profiling of Organic Delta Layers with Low-Energy Cesium Ions: Depth Resolution Assessment

The advent of cluster ion beams has paved the way to the routine 3D analysis of organic heterojunctions. Alternatively, organic thin layers have also been successfully depth profiled with a low-energy cesium ion beam (Cs{sup +}), to exploit the high chemical reactivity of cesium atoms, acting as free-radical scavengers. Despite of this, little is known about the depth resolution associated with low-energy Cs{sup +} sputtering on organic multilayers. In this work, amino acids multilayers, consisting of phenylalanine delta layers alternated with tyrosine spacers, were used as model systems to assess the depth resolution associated with 500 eV Cs{sup +} depth profiles. High yields were obtained for quasi-molecular ions from both amino acids, and no significant chemical alteration was noticed under the monoatomic bombardment. A depth resolution as low as 4 nm is demonstrated without sensible degradation on a rather long profile depth (300 nm). Limited depth resolution (> 10 nm) along with high molecular degradation was previously reported on similar systems by combining low-energy Cs{sup +} with Ga{sup +} analysis beam. The use of the Bi{sub 3}{sup +} analysis beam results in a dramatic improvement of both the characteristic molecular signal intensities and the depth resolution. Even though the analysis beam fluence is very low compared to the sputtering beam fluence, data suggest that further reducing the analysis Bi{sub 3}{sup +} fluence could improve the depth resolution by ~ 1 nm. .

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

Metal/ceramic interface structures and segregation behavior in aluminum-based composites

Trimodal Al alloy (AA) matrix composites consisting of ultrafine-­grained (UFG) and coarse-­ grained (CG) Al phases and micron-­sized B 4 C ceramic reinforcement particles exhibit combinations of strength and ductility that render them useful for potential applications in the aerospace, defense and automotive industries. Tailoring of microstructures with specific mechanical properties requires a detailed understanding of interfacial structures to enable strong interface bonding between ceramic reinforcement and metal matrix, and thereby allow for effective load transfer. Trimodal AA metal matrix composites typically show three characteristics that are noteworthy: nanocrystalline grains in the vicinity of the B4C reinforcement particles; Mg segregation at AA/B 4 C interfaces; and the presence of amorphous interfacial layers separating nanocrystalline grains from B 4 C particles. Interestingly, however, fundamental information related to the mechanisms responsible for these characteristics as well as information on local compositions and phases are absent in the current literature. Here in this study, we use high-­resolution transmission electron microscopy, energy-­dispersive X-­ray spectroscopy, electron energy-­loss spectroscopy, and precession assisted electron diffraction to gain fundamental insight into the mechanisms that affect the characteristics of AA/B 4 C interfaces. Specifically, we determined interfacial structures, local composition and spatial distribution of the interfacial constituents. Near atomic resolution characterization revealed amorphous multilayers and a nanocrystalline region between Al phase and B 4 C reinforcement particles. The amorphous multilayers consist of nonstoichiometric Al x O y , while the nanocrystalline region is comprised of MgO nanograins. The experimental results are discussed in terms of the possible underlying mechanisms at AA/B 4 C interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Mixing and trapping of dissolved CO 2 in deep geologic formations with shale layers

For dissolution trapping, the spatial variability of the geologic properties of naturally complex storage formations can significantly impact flow patterns and storage mechanisms of dissolved CO 2 . The significance of diffusive mixing that occurs in low permeability layers embedded between relatively higher permeability materials was highlighted by Agartan et al. (2015) using a highly controlled laboratory experimental study on trapping of dissolved CO 2 in multilayered systems. In this paper, we present a numerical modeling study on the impacts of low permeability layers on flow and storage of dissolved CO 2 in realistic field-scale settings. The simulator of variable-density flow used in this study was first verified using the experimental data in Agartan et al. (2015) to capture the observed processes. The simulator was then applied to a synthetic, field-scale multilayered system, with 19 sensitivity cases having variable permeability and thickness of the shale layers as well as the source strength and geometry of the source zone of dissolved CO 2 . Simulation results showed that the presence of continuous shale layers in the storage system disrupts the convective mixing by enhancing lateral spreading of dissolved CO 2 in sandstone layers and retarding the vertical mixing of dissolved CO 2 . The effectiveness of trapping of dissolved CO 2 depends on the physical properties of the shale layers and configurations of the source zone. The comparison to homogeneous cases with effective vertical permeability shows that it is important to capture these continuous thin shale layers in a storage formation and include them in the models to enhance dissolution trapping.

58 GEOSCIENCES↗
DOE OSTI2014

Emergent Horava gravity in graphene

First of all, we reconsider the tight-binding model of monolayer graphene, in which the variations of the hopping parameters are allowed. We demonstrate that the emergent 2D Weitzenbock geometry as well as the emergent U(1) gauge field appear. The emergent gauge field is equal to the linear combination of the components of the zweibein. Therefore, we actually deal with the gauge fixed version of the emergent 2+1 D teleparallel gravity. In particular, we work out the case, when the variations of the hopping parameters are due to the elastic deformations, and relate the elastic deformations with the emergent zweibein. Next, we investigate the tight-binding model with the varying intralayer hopping parameters for the multilayer graphene with the ABC stacking. In this case the emergent 2D Weitzenbock geometry and the emergent U(1) gauge field appear as well, and the emergent low energy effective field theory has the anisotropic scaling. -- Highlights: •The tight-binding model for graphene with varying hopping parameters is considered. •The emergent gravity and emergent gauge fields are derived. •For the case of the multilayer graphene we obtain the analogue of Horava gravity with anisotropic scaling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Learning-based CO 2 concentration prediction: Application to indoor air quality control using demand-controlled ventilation

There have been increasing concerns over the air quality inside buildings as high levels of bio-effluents can cause nausea, dizziness, headaches, and fatigue to the people working in those spaces. First published in 2004 as Standard 62.1, ASHRAE Standard 62.2-2019 requires highly occupied spaces to implement heating, ventilation, and air conditioning (HVAC) that can dilute contaminants produced by occupants. In this regard, occupant-centric ventilation control has been regarded as an effective practice to maintain a satisfactory indoor air quality (IAQ) when dealing with highly variable occupancy environments. However, few established models in current literature and practice consider dynamic occupancy behavior and adaptive IAQ control. To address this gap, a dynamic indoor CO2 model is constructed using machine learning algorithms to forecast CO2concentrations across a range of forecasting horizons. Herein, we tuned and compared six state-of-the-algorithms—including Support Vector Machine, Ada Boost, Random Forest, Gradient Boosting, Logistic Regression, and Multilayer Perceptron. The algorithms’ performances are validated using CO 2 and historical meteorological data collected from a campus classroom with a variable occupancy rate. Simulation results showed that Multilayer Perceptron can strongly predict the volatile CO 2 behavior and also outperforms other algorithms in terms of accuracy. Furthermore, a control strategy capable of modeling and detecting dynamic patterns of CO 2 level is utilized to modulate the ventilation rate in real-time and also reduce the energy consumption. The proposed controller reduced the HVAC fan’s energy consumption by 51.4% and provide ventilation as needed per the ASHRAE standards.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

Defect-mediated, thermally-activated encapsulation of metals at the surface of graphite

Here, we show that 3 metals – Dy, Ru, and Cu – can form multilayer intercalated (encapsulated) islands at the graphite (0001) surface if 2 specific conditions are met: Defects are introduced on the graphite terraces to act as entry portals, and the metal deposition temperature is well above ambient. Focusing on Dy as a prototype, we show that surface encapsulation is much different than bulk intercalation, because the encapsulated metal takes the form of bulk-like rafts of multilayer Dy, rather than the dilute, single-layer structure known for the bulk compound. Carbon-covered metallic rafts even form for relatively unreactive metals (Ru and Cu) which have no known bulk intercalation compound.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The structural modification and magnetism of many-layer epitaxial graphene implanted with low-energy light ions

Modifying the properties of graphene has gained wide interest for a plethora of potential applications, including spintronics. One approach has demonstrated that proton irradiation can induce ferromagnetism in graphene as well as in graphite. However, little is known about how the protons interact with graphene, the mechanism that creates the ferromagnetism, or whether the protons remain in the graphene. Here we report an investigation, broadly relevant to graphitic carbon, using low-energy (360–2000 eV) ions of hydrogen, deuterium, and helium implanted into multilayer epitaxial graphene. Complementary x-ray and neutron reflectivity demonstrate that essentially all of the implanted hydrogen remains chemisorbed in graphene. In situ x-ray diffraction reveals significantly different rates of interlayer expansion of the multilayer graphene. Analysis of these data demonstrates that the interlayer expansion arises entirely from the interstitials created by the ions and not from hydrogen that remains in the graphene. The results also establish a quantitative measure of the layer expansion due to carbon interstitials. Magnetometry and x-ray diffraction studies show that the magnetic moment relates to the amount of interstitial carbon rather than the amount of hydrogen, demonstrating that the induced room-temperature ferromagnetism arises directly from the disrupted bonding of the carbon lattice.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Parallel exponential time differencing methods for geophysical flow simulations

Two ocean models are considered for geophysical flow simulations: the multilayer shallow water equations and the multilayer primitive equations. For the former, we investigate the parallel performance of exponential time differencing (ETD) methods, including exponential Rosenbrock–Euler, ETD2wave, and B-ETD2wave. For the latter, we take advantage of the splitting of barotropic and baroclinic modes and propose a new two-level method in which an ETD method is applied to solve the fast barotropic mode. Furthermore, these methods could improve the computational efficiency of numerical simulations because ETD methods allow for much larger time step sizes than traditional explicit time-stepping techniques that are commonly used in existing computational ocean models. Several standard benchmark tests for ocean modeling are performed and comparison of the numerical results demonstrates a great potential of applying the parallel ETD methods for simulating real-world geophysical flows.

54 ENVIRONMENTAL SCIENCES↗