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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Layer-resolved many-electron interactions in delafossite PdCoO2 from standing-wave photoemission spectroscopy

Abstract When a three-dimensional material is constructed by stacking different two-dimensional layers into an ordered structure, new and unique physical properties can emerge. An example is the delafossite PdCoO 2 , which consists of alternating layers of metallic Pd and Mott-insulating CoO 2 sheets. To understand the nature of the electronic coupling between the layers that gives rise to the unique properties of PdCoO 2 , we revealed its layer-resolved electronic structure combining standing-wave X-ray photoemission spectroscopy and ab initio many-body calculations. Experimentally, we have decomposed the measured VB spectrum into contributions from Pd and CoO 2 layers. Computationally, we find that many-body interactions in Pd and CoO 2 layers are highly different. Holes in the CoO 2 layer interact strongly with charge-transfer excitons in the same layer, whereas holes in the Pd layer couple to plasmons in the Pd layer. Interestingly, we find that holes in states hybridized across both layers couple to both types of excitations (charge-transfer excitons or plasmons), with the intensity of photoemission satellites being proportional to the projection of the state onto a given layer. This establishes satellites as a sensitive probe for inter-layer hybridization. These findings pave the way towards a better understanding of complex many-electron interactions in layered quantum materials.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Growth and deformation structure of gradient and layer-gradient Ti-Al-Si-Cu-N coatings

The features of the growth structure and modification of gradient and layer-gradient Ti-Al-Si-Cu-N coatings in the areas of deformation and fracture during indentation and scratch testing were investigated using transmission and scanning electron microscopy methods. The influence of the concentration of alloying elements and displacement potential in the substrate on the secondary sputtering, phase composition and the level of combined torsion and bending of the crystal lattice of doped TiN were determined. It was found out that the size of the crystals in deformation location bands grows with deformation of gradient nanocrystal coatings. The article shows that layer-gradient coatings combining submicrocrystalline and nanocrystalline structures have the increased plasticity and fracture toughness due to enhanced density of interfaces and formation of the soft metal phase (Cu) in the surface layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Domain knowledge-informed, process-mapping AI graph for designing Fe-based alloys

<span style="font-family: Calibri, sans-serif; font-size: 12pt;">Continuous improvement in efficiency of a power plant relies on designing materials for use at increasingly higher temperature and/or pressure, for 100,000s hours of operation. Due to complexity, non-linearity and high-dimensionality of the problem, traditional Machine Learning (ML) approaches require unreasonably large datasets for the data-driven model development. Science-based material and process engineering complements hard data with, sometimes soft and intuitive, empirical domain knowledge. Artificial Intelligence (AI) was used in this study to incorporate such knowledge into computational graph architecture (process-mimicking artificial neuron design, causal layer and graph structures, ensemble modeling of latent states) and learning procedures (variable transformation, fuzzy physics pre-training and freezing of deep layers, virtual microstructure representation, and adversarial multi-objective optimization). The first alloys design pathways suggested by the AI tool (pyroMind) passed a preliminary engineering review on soundness and transparency.</span>

Romanov, Vyacheslav↗
DOE OSTI2020

LAN: A Materials Notation for Two-Dimensional Layered Assemblies

Two-dimensional (2D) layered materials offer intriguing possibilities for novel physics and applications. Before any attempt at exploring the materials space in a systematic fashion, or combining insights from theory, computation, and experiment, a formal description of information about an assembly of arbitrary composition is required. Here, we introduce a domain-generic notation that is used to describe the space of 2D layered materials from monolayers to twisted assemblies of arbitrary composition, existent or not yet fabricated. The notation corresponds to a theoretical materials concept of stepwise assembly of layered structures using a sequence of rotation, vertical stacking, and other operations on individual 2D layers. Its scope is demonstrated with several example structures using common single-layer materials as building blocks. This work overall aims to contribute to the systematic codification, capture, and transfer of materials knowledge in the area of 2D layered materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Stirling Microregenerators Fabricated and Tested

A mesoscale Stirling refrigerator patented by the NASA Glenn Research Center is currently under development. This refrigerator has a predicted efficiency of 30 percent of Carnot and potential uses in electronics, sensors, optical and radiofrequency systems, microarrays, and microsystems. The mesoscale Stirling refrigerator is most suited to volume-limited applications that require cooling below the ambient or sink temperature. Primary components of the planar device include two diaphragm actuators that replace the pistons found in traditional-scale Stirling machines and a microregenerator that stores and releases thermal energy to the working gas during the Stirling cycle. Diaphragms are used to eliminate frictional losses and bypass leakage concerns associated with pistons, while permitting reversal of the hot and cold sides of the device during operation to allow precise temperature control. Three candidate microregenerators were fabricated under NASA grants for initial evaluation: two constructed of porous ceramic, which were fabricated by Johns Hopkins Applied Physics Laboratory, and one made of multiple layers of nickel and photoresist, which was fabricated by Polar Thermal Technologies. The candidate regenerators are being tested by Johns Hopkins Applied Physics in a custom piezoelectric-actuated test apparatus designed to produce the Stirling refrigeration cycle. In parallel with the regenerator testing, Johns Hopkins is using deep reactive ion etching to fabricate electrostatically driven, comb-drive diaphragm actuators. These actuators will drive the Stirling cycle in the prototype device. The top photograph shows the porous ceramic microregenerators. Two microregenerators were fabricated with coarse pores and two with fine pores. The bottom photograph shows the test apparatus parts for evaluating the microregenerators, including the layered nickel-and-photoresist regenerator fabricated using LIGA techniques.

Moran, Matthew E.↗
NASA NTRS2018

Characterization of Freestream Disturbances in Conventional Hypersonic Wind Tunnels

While low disturbance ("quiet") hypersonic wind tunnels are believed to provide more reliable extrapolation of boundary layer transition behavior from ground to flight, the presently available quiet facilities are limited to Mach 6, moderate Reynolds numbers, low freestream enthalpy, and subscale models. As a result, only conventional ("noisy") wind tunnels can reproduce both Reynolds numbers and enthalpies of hypersonic flight configurations, and must therefore be used for flight vehicle test and evaluation involving high Mach number, high enthalpy, and larger models. This article outlines the recent progress and achievements in the characterization of tunnel noise that have resulted from the coordinated effort within the AVT-240 specialists group on hypersonic boundary layer transition prediction. New Direct Numerical Simulation (DNS) datasets elucidate the physics of noise generation inside the turbulent nozzle wall boundary layer, characterize the spatiotemporal structure of the freestream noise, and account for the propagation and transfer of the freestream disturbances to a pitot-mounted sensor. The new experimental measurements cover a range of conventional wind tunnels with different sizes and Mach numbers from 6 to 14 and extend the database of freestream fluctuations within the spectral range of boundary layer instability waves over commonly tested models. Prospects for applying the computational and measurement datasets for developing mechanism-based transition prediction models are discussed.

Duan, Lian↗
DOE OSTI2013

Magnetic geometry and physics of advanced divertors: The X-divertor and the snowflake

Advanced divertors are magnetic geometries where a second X-point is added in the divertor region to address the serious challenges of burning plasma power exhaust. Invoking physical arguments, numerical work, and detailed model magnetic field analysis, we investigate the magnetic field structure of advanced divertors in the physically relevant region for power exhaust—the scrape-off layer. A primary result of our analysis is the emergence of a physical “metric,” the Divertor Index DI, which quantifies the flux expansion increase as one goes from the main X-point to the strike point. It clearly separates three geometries with distinct consequences for divertor physics—the Standard Divertor (DI = 1), and two advanced geometries—the X-Divertor (XD, DI > 1) and the Snowflake (DI < 1). The XD, therefore, cannot be classified as one variant of the Snowflake. By this measure, recent National Spherical Torus Experiment and DIIID experiments are X-Divertors, not Snowflakes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Stress engineering in GaN structures grown on Si(111) substrates by SiN masking layer application

GaN layers without and with an in-situ SiN mask were grown by using metal organic vapor phase epitaxy for three different approaches used in GaN on silicon(111) growth, and the physical and optical properties of the GaN layers were studied. For each approach applied, GaN layers of 1.4 μm total thickness were grown, using silan SiH{sub 4} as Si source in order to grow Si{sub x}N{sub x} masking layer. The optical micrographs, scanning electron microscope images, and atomic force microscope images of the grown samples revealed cracks for samples without SiN mask, and micropits, which were characteristic for the samples grown with SiN mask. In situ reflectance signal traces were studied showing a decrease of layer coalescence time and higher degree of 3D growth mode for samples with SiN masking layer. Stress measurements were conducted by two methods—by recording micro-Raman spectra and ex-situ curvature radius measurement—additionally PLs spectra were obtained revealing blueshift of PL peak positions with increasing stress. The authors have shown that a SiN mask significantly improves physical and optical properties of GaN multilayer systems reducing stress in comparison to samples grown applying the same approaches but without SiN masking layer.

42 ENGINEERING↗
DOE OSTI2014

Enhancement of non-resonant dielectric cloaks using anisotropic composites

Cloaking techniques conceal objects by controlling the flow of electromagnetic waves to minimize scattering. Herein, the effectiveness of homogenized anisotropic materials in non-resonant dielectric multilayer cloaking is studied. Because existing multilayer cloaking by isotropic materials can be regarded as homogenous anisotropic cloaking from a macroscopic view, anisotropic materials can be efficiently designed through optimization of their physical properties. Anisotropic properties can be realized in two-phase composites if the physical properties of the material are within appropriate bounds. The optimized anisotropic physical properties are identified by a numerical optimization technique based on a full-wave simulation using the finite element method. The cloaking performance measured by the total scattering width is improved by about 2.8% and 25% in eight- and three-layer cylindrical cloaking materials, respectively, compared with multilayer cloaking by isotropic materials. In all cloaking examples, the optimized microstructures of the two-phase composites are identified as the simple lamination of two materials, which maximizes the anisotropy. The same performance as published for eight-layer cloaking by isotropic materials is achieved by three-layer cloaking using the anisotropic material. Cloaking with an approximately 50% reduction of total scattering width is achieved even in an octagonal object. Since the cloaking effect can be realized using just a few layers of the laminated anisotropic dielectric composite, this may have an advantage in the mass production of cloaking devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Tip-based proximity ferroelectric switching and piezoelectric response in wurtzite multilayers

Proximity ferroelectricity is a paradigm for inducing ferroelectricity when a nonferroelectric polar material (such as Al⁢ N), which is unswitchable with an external field below the dielectric breakdown field, becomes a practically switchable ferroelectric in direct contact with a thin switchable ferroelectric layer (such as Al 1−𝑥 ⁢Sc 𝑥 ⁢N). Here, we develop a Landau-Ginzburg-Devonshire approach to study the proximity effect of local piezoelectric response and polarization reversal in wurtzite ferroelectric multilayers under a sharp electrically biased tip. Using finite-element modeling, we analyze the probe-induced nucleation of nanodomains, the features of local polarization hysteresis loops and coercive fields in the Al 1−𝑥 ⁢Sc 𝑥 ⁢N/Al⁢ N bilayers and three-layers. Similar to the wurtzite multilayers sandwiched between two parallel electrodes, the regimes of “proximity switching” (when all layers collectively switch) and the regime of “proximity suppression” (when they collectively do not switch) are the only two possible regimes in the probe-electrode geometry. However, the parameters and asymmetry of the local piezoresponse and polarization hysteresis loops depend significantly on the sequence of the layers with respect to the probe. The physical mechanism of proximity ferroelectricity in the local probe geometry is a depolarizing electric field determined by the polarization of the layers and their relative thickness. The field, whose direction is opposite to the polarization vector in the layer(s) with the larger spontaneous polarization (such as Al⁢ N), renormalizes the double-well ferroelectric potential to lower the steepness of the switching barrier in the “otherwise unswitchable” polar layers. Tip-based control of domains in otherwise nonferroelectric layers using proximity ferroelectricity can provide nanoscale control of domain reversal in memory, actuation, sensing, and optical applications. The ability of the tip-induced proximity switching to differentially switch multilayers, based on the order of the layers, provides a powerful tool for selective domain engineering.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Mixing and mixing enhancement in supersonic reacting flowfields

Propulsion systems planned for use late in this century and beyond will require appropriate physical models for describing supersonic combustion and numerical techniques for solving the model governing equations. A computer program to study these flows is reported which considers the multicomponent diffusion and convection of important chemical species, the finite-rate reaction of these species, and the resulting interaction of the field mechanics and the chemistry. The application of the program to a spatially developing and reacting mixing layer, which serves an an excellent physical model for the mixing and reaction processes that take place in a scramjet combustor, is reported. Several techniques to enhance the fuel-air mixing and growth of that layer and improve its overall combustion efficiency are considered.

Drummond, J. P.↗
NASA NTRS1978

A scheme for computing surface layer turbulent fluxes from mean flow surface observations

A physical model and computational scheme are developed for generating turbulent surface stress, sensible heat flux and humidity flux from mean velocity, temperature and humidity at some fixed height in the atmospheric surface layer, where conditions at this reference level are presumed known from observations or the evolving state of a numerical atmospheric circulation model. The method is based on coupling the Monin-Obukov surface layer similarity profiles which include buoyant stability effects on mean velocity, temperature and humidity to a force-restore formulation for the evolution of surface soil temperature to yield the local values of shear stress, heat flux and surface temperature. A self-contained formulation is presented including parameterizations for solar and infrared radiant fluxes at the surface. Additional parameters needed to implement the scheme are the thermal heat capacity of the soil per unit surface area, surface aerodynamic roughness, latitude, solar declination, surface albedo, surface emissivity and atmospheric transmissivity to solar radiation.

Hoffert, M. I.↗
DOE OSTI2023

Nano-infrared imaging of metal insulator transition in few-layer 1T-TaS 2

Abstract Among the family of transition metal dichalcogenides, 1T-TaS 2 stands out for several peculiar physical properties including a rich charge density wave phase diagram, quantum spin liquid candidacy and low temperature Mott insulator phase. As 1T-TaS 2 is thinned down to the few-layer limit, interesting physics emerges in this quasi 2D material. Here, using scanning near-field optical microscopy, we perform a spatial- and temperature-dependent study on the phase transitions of a few-layer thick microcrystal of 1T-TaS 2 . We investigate encapsulated air-sensitive 1T-TaS 2 prepared under inert conditions down to cryogenic temperatures. We find an abrupt metal-to-insulator transition in this few-layer limit. Our results provide new insight in contrast to previous transport studies on thin 1T-TaS 2 where the resistivity jump became undetectable, and to spatially resolved studies on non-encapsulated samples which found a gradual, spatially inhomogeneous transition. A statistical analysis suggests bimodal high and low temperature phases, and that the characteristic phase transition hysteresis is preserved down to a few-layer limit.

42 ENGINEERING↗
DOE OSTI2017

Stitching h-BN by atomic layer deposition of LiF as a stable interface for lithium metal anode

Defects are important features in two-dimensional (2D) materials that have a strong influence on their chemical and physical properties. Through the enhanced chemical reactivity at defect sites (point defects, line defects, etc.), one can selectively functionalize 2D materials via chemical reactions and thereby tune their physical properties. We demonstrate the selective atomic layer deposition of LiF on defect sites of h-BN prepared by chemical vapor deposition. The LiF deposits primarily on the line and point defects of h-BN, thereby creating seams that hold the h-BN crystallites together. The chemically and mechanically stable hybrid LiF/h-BN film successfully suppresses lithium dendrite formation during both the initial electrochemical deposition onto a copper foil and the subsequent cycling. In conclusion, the protected lithium electrodes exhibit good cycling behavior with more than 300 cycles at relatively high coulombic efficiency (>95%) in an additive-free carbonate electrolyte.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Using Plane Pulsed Acoustic Waves in Devices with Phased Gratings for Ultrasonic Imaging in Layered Media

A new method of constructing ultrasonic images in layered media is proposed that is based on the radiation and reception of plane pulsed waves at various angles. Upon passage via a set of layers, plane pulsed waves do not change their shape and direction in the imaged region, which eliminates the need for detailed analysis of wave propagation in intermediate layers. It is shown that, in the absence of a priori information on the thicknesses and acoustical parameters of layers or the results of their measurement, the proposed method allows images to be obtained at a spatial resolution corresponding to the theoretical limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

The capacitive properties of structures based on mesoporous silicon irradiated by low-dose γ rays

The influence of low doses of γ rays on the capacitive properties of structures based on mesoporous silicon has been investigated. The concentration distribution of dangling charged bonds over the layer depth, which changes under irradiation, has been found using the capacitance–voltage characteristics at different frequencies of the test signal. It is shown that the concentration and relaxation time of surface charged states in a structure with a mesoporous silicon layer decrease under γ irradiation, which makes the material promising for devices with controlled reactance (varactors) that are resistant to γ irradiation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Machine Learning for Improving Surface-Layer-Flux Estimates

Abstract Flows in the atmospheric boundary layer are turbulent, characterized by a large Reynolds number, the existence of a roughness sublayer and the absence of a well-defined viscous layer. Exchanges with the surface are therefore dominated by turbulent fluxes. In numerical models for atmospheric flows, turbulent fluxes must be specified at the surface; however, surface fluxes are not known a priori and therefore must be parametrized. Atmospheric flow models, including global circulation, limited area models, and large-eddy simulation, employ Monin–Obukhov similarity theory (MOST) to parametrize surface fluxes. The MOST approach is a semi-empirical formulation that accounts for atmospheric stability effects through universal stability functions. The stability functions are determined based on limited observations using simple regression as a function of the non-dimensional stability parameter representing a ratio of distance from the surface and the Obukhov length scale (Obukhov in Trudy Inst Theor Geofiz AN SSSR 1:95–115, 1946), $$z/L$$ z / L . However, simple regression cannot capture the relationship between governing parameters and surface-layer structure under the wide range of conditions to which MOST is commonly applied. We therefore develop, train, and test two machine-learning models, an artificial neural network (ANN) and random forest (RF), to estimate surface fluxes of momentum, sensible heat, and moisture based on surface and near-surface observations. To train and test these machine-learning algorithms, we use several years of observations from the Cabauw mast in the Netherlands and from the National Oceanic and Atmospheric Administration’s Field Research Division tower in Idaho. The RF and ANN models outperform MOST. Even when we train the RF and ANN on one set of data and apply them to the second set, they provide more accurate estimates of all of the fluxes compared to MOST. Estimates of sensible heat and moisture fluxes are significantly improved, and model interpretability techniques highlight the logical physical relationships we expect in surface-layer processes.

Meteorology & Atmospheric Sciences↗
DOE OSTI2025

Secure and Resilient Operations Using Open-Source Distributed Systems Platform (OpenDSP)

The goal of this project is to identify and address cybersecurity gaps by developing a multi-layer multi-channel cyber-physical defense and survival mechanism for operating distribution networks with high penetration of solar / inverter-based resource (IBR) / distributed energy resource (DER). The proposed security enhancements are built upon the distributed framework and solution architecture for both information technology (IT) and operational technology (OT) systems. The technical solutions consist of two composite functionalities and six layers: proactive defense (vulnerability assessment, communication protection, and attack detection, as layers 1-3), and adaptive self-healing (attack-resilient control, adaptive recovery, and resilient survival, as layers 4-6). These layers, built on and extended from DHS CISA Cyber Framework, establish an integrated and robust cybersecurity framework for operating large-scale distribution networks.

14 SOLAR ENERGY↗