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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Layer Edge States Stabilized by Internal Electric Fields in Two-Dimensional Hybrid Perovskites

Two-dimensional (2D) organic-inorganic hybrid perovskites have been intensively explored in recent years due to their tunable band gaps and exciton binding energies and increased stability with respect to three-dimensional (3D) hybrid perovskites. Experimental observations suggest the existence of localized edge states in 2D hybrid perovskites which facilitate extremely efficient electron-hole dissociation and long carrier lifetimes, while multiple origins for their formation have been proposed. Using first-principles calculations, we demonstrate that layer edge states are stabilized by internal electric fields created by polarized molecular alignment of organic cations in 2D hybrid perovskites when they are two layers or thicker. Overall, our study gives a simple physical explanation of the edge state formation, and facilitating the design and manipulation of layer edge states for optoelectronic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Comparison of dayside current layers in Venus' ionosphere and earth's equatorial electrojet

The major physical aspects of the equatorial electrojet of Earth and the dayside ionospheric current layers of Venus are compared, viz., the electric current intensity and total current, roles of electric field, pressure and gravity, diffusion time scales, and the Bernouille effect. The largest potential differences, of the order of 10 volts, horizontally across the dayside ionosphere of Venus, have important implications for possible dynamo action in the Venus ionosphere and the application of an electric field from the lower atmosphere or from the solar wind. An upper limit to the horizontal scale of vertical magnetic fields in the Venus ionosphere is estimated thereby for the first time. New upper limits on the velocity in, and thickness of, a possible S layer at Venus are presented. If an S layer exists, it is only for extreme conditions of the solar wind. A mechanism for formation of magnetic ropes in the Venus ionosphere is also proposed.

Cole, Keith D.↗
DOE OSTI2021

Model fusion with physics-guided machine learning: Projection-based reduced-order modeling

The unprecedented amount of data generated from experiments, field observations, and large-scale numerical simulations at a wide range of spatiotemporal scales has enabled the rapid advancement of data-driven and especially deep learning models in the field of fluid mechanics. Although these methods are proven successful for many applications, there is a grand challenge of improving their generalizability. This is particularly essential when data-driven models are employed within outer-loop applications like optimization. In this work, we put forth a physics-guided machine learning (PGML) framework that leverages the interpretable physics-based model with a deep learning model. Leveraging a concatenated neural network design from multi-modal data sources, the PGML framework is capable of enhancing the generalizability of data-driven models and effectively protects against or inform about the inaccurate predictions resulting from extrapolation. We apply the PGML framework as a novel model fusion approach combining the physics-based Galerkin projection model and long- to short-term memory (LSTM) network for parametric model order reduction of fluid flows. We demonstrate the improved generalizability of the PGML framework against a purely data-driven approach through the injection of physics features into intermediate LSTM layers. Our quantitative analysis shows that the overall model uncertainty can be reduced through the PGML approach, especially for test data coming from a distribution different than the training data. Moreover, we demonstrate that our approach can be used as an inverse diagnostic tool providing a confidence score associated with models and observations. The proposed framework also allows for multi-fidelity computing by making use of low-fidelity models in the online deployment of quantified data-driven models.

42 ENGINEERING↗
DOE OSTI2017

A Thickness-Weighted Average Perspective of Force Balance in an Idealized Circumpolar Current

Abstract The exact, three-dimensional, thickness-weighted averaged (TWA) Boussinesq equations are used to diagnose eddy–mean flow interaction in an idealized circumpolar current (ICC). The force exerted by mesoscale eddies on the TWA velocity is expressed as the divergence of the Eliassen–Palm flux tensor. Consistent with previous findings, the analysis indicates that the dynamically relevant definition of the ocean surface layer is composed of the set of buoyancy coordinates that ever reside at the ocean surface at a given horizontal position. The surface layer is found to be a physically distinct object with a diabatic and force balance that is largely isolated from the underlying adiabatic region in the interior. Within the ICC surface layer, the TWA meridional velocity is southward/northward in the top/bottom half and has a value near zero at the bottom. In the top half of the surface layer, the zonal forces due to wind stress and meridional advection of potential vorticity act to accelerate the TWA zonal velocity; equilibrium is obtained by eddies decelerating the zonal flow via a downward flux of eastward momentum that increases with depth. In the bottom half of the surface layer, the accelerating force of the wind stress is balanced by the eddy force and meridional advection of potential vorticity. The bottom of the surface layer coincides with the location where the zonal eddy force, meridional advection of potential vorticity, and zonal wind stress force are all zero. The net meridional transport Sf within the surface layer is a small residual of its southward and northward TWA meridional flows. The mean meridional gradient of the surface layer buoyancy is advected by Sf to balance the surface buoyancy flux.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1988

Investigation of the validity of Reynolds averaged turbulence models at the frequencies that occur in turbomachinery

Turbulent flows subjected to various kinds of unsteady disturbances were simulated using a large-eddy-simulation computer code for flow in a channel. The disturbances were: a normal velocity expressed as a traveling wave on one wall of the channel; staggered blowing and suction distributions on the opposite walls of the channel; and oscillations of the mean flow through the channel. The wall boundary conditions were designed to simulate the effects of wakes of a stator stage passing through a rotor channel in a turbine. The oscillating flow simulated the effects of a pressure pulse moving over the rotor blade boundary layer. The objective of the simulations was to provide better understanding of the effects of time-dependent disturbances on the turbulence of a boundary layer and of the underlying physical phenomena regarding the basic interaction between the turbulence and external disturbances of the type found in turbomachinery. Results showed that turbulence is sensitive to certain ranges of frequencies of disturbances. However, no direct connection was found between the frequency of imposed disturbances and characteristic burst frequency of turbulence. New insight into the nature of turbulence at high frequencies was found. The viscous phenomena near solid walls was found to be the dominant influence for high frequency perturbations. At high frequencies, the turbulence was found to be undisturbed, remaining the same as for the steady mean flow. A transition range exists between the high frequency range and the low, or quasi-steady, range in which the turbulence is not predictable by either quasi-steady models or the steady flow model. The limiting lowest frequency for use of the steady flow turbulence model is that for which the viscous Stokes layer based on the blade passing frequency is thicker than the laminar sublayer.

Kuhn, Gary D.↗
DOE OSTI2021

Autoencoders on FPGAs for real-time, unsupervised new physics detection at 40 MHz at the Large Hadron Collider

In this paper, we show how to adapt and deploy anomaly detection algorithms based on deep autoencoders, for the unsupervised detection of new physics signatures in the extremely challenging environment of a real-time event selection system at the Large Hadron Collider (LHC). We demonstrate that new physics signatures can be enhanced by three orders of magnitude, while staying within the strict latency and resource constraints of a typical LHC event filtering system. This would allow for collecting datasets potentially enriched with high-purity contributions from new physics processes. Through per-layer, highly parallel implementations of network layers, support for autoencoder-specific losses on FPGAs and latent space based inference, we demonstrate that anomaly detection can be performed in as little as $80\,$ns using less than 3% of the logic resources in the Xilinx Virtex VU9P FPGA. Opening the way to real-life applications of this idea during the next data-taking campaign of the LHC.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Momentum transport and nonlocality in heat-flux-driven magnetic reconnection in high-energy-density plasmas

Recent theory has demonstrated a novel physics regime for magnetic reconnection in high-energy-density plasmas where the magnetic field is advected by heat flux via the Nernst effect. In this paper, we elucidate the physics of the electron dissipation layer in this regime. Through fully kinetic simulation and a generalized Ohm's law derived from first principles, we show that momentum transport due to a nonlocal effect, the heat-flux-viscosity, provides the dissipation mechanism for magnetic reconnection. Scaling analysis, and simulations show that the reconnection process comprises a magnetic field compression stage and quasisteady reconnection stage, and the characteristic width of the current sheet in this regime is several electron mean-free paths. Finally, these results show the important interplay between nonlocal transport effects and generation of anisotropic components to the distribution function.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2004

Experimental, Theoretical, and Computational Investigation of Separated Nozzle Flows

A detailed experimental, theoretical, and computational study of separated nozzle flows has been conducted. Experimental testing was performed at the NASA Langley 16-Foot Transonic Tunnel Complex. As part of a comprehensive static performance investigation, force, moment, and pressure measurements were made and schlieren flow visualization was obtained for a sub-scale, non-axisymmetric, two-dimensional, convergent- divergent nozzle. In addition, two-dimensional numerical simulations were run using the computational fluid dynamics code PAB3D with two-equation turbulence closure and algebraic Reynolds stress modeling. For reference, experimental and computational results were compared with theoretical predictions based on one-dimensional gas dynamics and an approximate integral momentum boundary layer method. Experimental results from this study indicate that off-design overexpanded nozzle flow was dominated by shock induced boundary layer separation, which was divided into two distinct flow regimes; three- dimensional separation with partial reattachment, and fully detached two-dimensional separation. The test nozzle was observed to go through a marked transition in passing from one regime to the other. In all cases, separation provided a significant increase in static thrust efficiency compared to the ideal prediction. Results indicate that with controlled separation, the entire overexpanded range of nozzle performance would be within 10% of the peak thrust efficiency. By offering savings in weight and complexity over a conventional mechanical exhaust system, this may allow a fixed geometry nozzle to cover an entire flight envelope. The computational simulation was in excellent agreement with experimental data over most of the test range, and did a good job of modeling internal flow and thrust performance. An exception occurred at low nozzle pressure ratios, where the two-dimensional computational model was inconsistent with the three-dimensional separation observed in the experiment. In general, the computation captured the physics of the shock boundary layer interaction and shock induced boundary layer separation in the nozzle, though there were some differences in shock structure compared to experiment. Though minor, these differences could be important for studies involving flow control or thrust vectoring of separated nozzles. Combined with other observations, this indicates that more detailed, three-dimensional computational modeling needs to be conducted to more realistically simulate shock-separated nozzle flows.

Hunter, Craig A.↗
DOE OSTI2018

Enhancing the Resistance of Spectral Characteristics of Interference Coatings to Deviation in Parameters of Layers Entering into Their Composition

A new method of enhancing the resistance of spectral characteristics of interference coatings to deviations in parameters of layers entering into their composition is presented. The spectral characteristic that can be obtained using this method for the energy transmittance (or reflectance) of an experimentally manufactured coating is maximally close to the characteristic of the synthesized coating. A way to use several samples for monitoring the thickness of layers during the process of their formation with the aim to reduce the deviation of optical layers during manufacturing of interference coatings is presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Study of the shape of an optical window in a super-resolution state by electromagnetic-thermal coupled simulation: Effects of melting of an active layer in an optical disc

We performed a multi-physics simulation for the propagation of electromagnetic waves and heat conduction in a super-resolution optical disc that includes an active layer of InSb. Because the change in the optical constant of InSb due to the phase transition is taken into account, the melting of the active layer can be realistically simulated in our calculation. It was found that in the case of an incident light power (P) of 2 mW, a profile of the electric field intensity transmitted through the InSb layer has an asymmetric shape with a narrow peak. This beam-narrowing was suggested to be an essential mechanism of the super-resolution, because a narrower light beam allows the detection of a smaller pit structure than the optical diffraction limit. This beam-narrowing was found to be originating from a small molten region produced in the InSb layer, which works as a mask for light exposure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Influence of strain and metal thickness on metal-MoS{sub 2} contacts

MoS{sub 2} and other transition metal dichalcogenides are considered as potential materials in many applications including future electronics. A prerequisite for these applications is to understand the nature of the MoS{sub 2} contact with different metals. We use semi-local density functional theory in conjunction with dispersion corrections to study the heterostructures composed of Pd and Pt monolayers with (111) orientation grown pseudomorphically on MoS{sub 2}(001). The interface properties are mapped as a function of the number of deposited overlayers, as well as a function of tensile and compressive strains. Although we show that the dependence of the contacts on strain can be fully explained using the d-band model, we find that their evolution with the number of deposited metal layers is markedly different between Pd and Pt, and at variance with the d-band model. Specifically, the Pt/MoS{sub 2} heterostructures show an anomalous large stability with the deposition of two metal monolayers for all investigated strains, while Pd/MoS{sub 2} exhibits a similar behavior only for compressive strains. It is shown that the results can be rationalized by accounting for second-nearest-neighbor effect that couples MoS{sub 2} with the subsurface metal layers. The underpinnings of this behavior are attributed to the larger polarizability and cohesive energy of Pt compared to Pd, that leads to a larger charge-response in the subsurface layers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Self-consistently renormalized spin-wave theory of layered ferromagnets on the honeycomb lattice

We develop a self-consistently renormalized spin-wave theory, within a mean-field approximation, for the two-dimensional Heisenberg ferromagnet with perpendicular easy-axis anisotropy on the honeycomb lattice, as well as its few-layer and bulk extensions. In this method, the magnetization dependence on temperature is found as the solution of the self-consistency equation. Furthermore, we account for the physical difference of surface and bulk layers by treating the layers as separate sublattices. Thus the method can be readily generalized to study various magnetic phenomena in a broad range of systems, including those comprising magnetically inequivalent sublattices. Using our theory, we calculate the temperature-dependent magnetization for two chromium-based layered van der Waals insulating magnets, Cr 2 Ge 2 Te 6 and CrI 3 , employing various sets of Heisenberg exchange and single-ion anisotropy values reported for these materials in the existing literature. As expected, we observe a strong dimensionality effect where the ordering temperature is reduced and its sensitivity on the anisotropy is enhanced with the decrease of dimensionality.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Tale of Two Domains: Cyber - Physical

As devices and systems continue to modernize and adopt integrated circuits, the use of cyber technology to deploy an application is the expectation. This deployment through cyber assets brings new cyber risk and cybersecurity is the practice of managing this risk. Cyber-risk is constantly changing due to the speed of technology advancement and the changing quality of the adversary. Cyber-Informed Engineering (CIE) mitigates cyber-risk through engineering controls where as the traditional practice of cybersecurity mitigates cyber-risk through cybersecurity controls. By clearly defining the cyber-physical boundary, engineering controls and cybersecurity controls can clearly demonstrate their complementary nature to provide layered defenses and successfully mitigate cyber-risk through independent controls. In this paper, a layered model of device decomposition of the the cyber-physical boundary is presented to provide clarity where engineering controls are used to reduce cyber-risk within the physics, functional materials, electronic, or integrated circuit layers and where cybersecurity controls are used to reduce cyber-risk within the machine code and application layers. By implementing both traditional cybersecurity controls and engineering controls, a more holistic approach to cybersecurity is achieved in protecting modern devices and systems, as well as a clear awareness in identifying, documenting, and authorizing the system’s cybersecurity protection scheme is achieved.

42 - ENGINEERING↗
DOE OSTI2024

Phase transition kinetics of superionic H2O ice phases revealed by Megahertz X-ray free-electron laser-heating experiments

Abstract H 2 O transforms to two forms of superionic (SI) ice at high pressures and temperatures, which contain highly mobile protons within a solid oxygen sublattice. Yet the stability field of both phases remains debated. Here, we present the results of an ultrafast X-ray heating study utilizing MHz pulse trains produced by the European X-ray Free Electron Laser to create high temperature states of H 2 O, which were probed using X-ray diffraction during dynamic cooling. We confirm an isostructural transition during heating in the 26-69 GPa range, consistent with the formation of SI-bcc. In contrast to prior work, SI-fcc was observed exclusively above ~50 GPa, despite evidence of melting at lower pressures. The absence of SI-fcc in lower pressure runs is attributed to short heating timescales and the pressure-temperature path induced by the pump-probe heating scheme in which H 2 O was heated above its melting temperature before the observation of quenched crystalline states, based on the earlier theoretical prediction that SI-bcc nucleates more readily from the fluid than SI-fcc. Our results may have implications for the stability of SI phases in ice-rich planets, for example during dynamic freezing, where the preferential crystallization of SI-bcc may result in distinct physical properties across mantle ice layers.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Size-Driven Stability of Lanthanide Thiophosphates Grown from an Iodide Flux

To determine the influence of the lanthanide size on the structures and properties of thiophosphates, a thiophosphate series containing different lanthanides was synthesized via high temperature flux crystal growth and their structures and physical properties analyzed and compared. Layered thiohypophosphates NaLnP 2 S 6 (Ln = La, Ce, Pr) and thiopyrophosphates CsLnP 2 S 7 (Ln = Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Yb, Y) were grown out of an iodide flux using consistent reaction conditions across both series. Under the mildly reducing iodide flux reaction conditions, a rather rare example of phosphorus reduction from the +5 to the +4 oxidation state was observed. Both resultant structure types are based on lanthanide thiophosphate sheets with the alkali cations located between them. Magnetic susceptibility measurements were conducted and revealed Curie–Weiss behavior of the samples, with a Van Vleck contribution in the CsSmP 2 S 7 sample. UV–vis data was found to be in good agreement with the literature, indicating little influence of the sulfide environment on the localized 4f orbitals.

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

Generation of boundary and boundary-layer fitting grids

The details of extended physical processes, such as the gas dynamic flow over an airfoil, the reactive flow through a combustor, or the electric field in a multi-contact transistor, are understood by solving the differential equations of a mathematical model of the process. The accuracy of finite difference methods for the numerical solution of the equations is increased if the underlying mesh fits the region boundaries and is closely spaced in regions where the solution is rapidly varying. Automatic methods for producing a satisfactorily adjusted mesh were developed for one dimensional problems. In one simple, effective scheme of this kind the unknown function and the distribution of mesh modes are found simultaneously, the nodes being placed so that they correspond to points uniformly spaced on the solution curve. In a two dimensional generalization, the nodes correspond to points equally spaced on the solution surface in two directions that are as nearly orthogonal as possible. Examples of such meshes are shown.

Ablow, C. M.↗
DOE OSTI2022

On the enhancement of boundary layer skin friction by turbulence: an angular momentum approach

Turbulence enhances the wall shear stress in boundary layers, significantly increasing the drag on streamlined bodies. Other flow features such as free stream pressure gradients and streamwise boundary layer growth also strongly influence the local skin friction. In this paper, an angular momentum integral (AMI) equation is introduced to quantify these effects by representing them as torques that alter the shape of the mean velocity profile. This approach uniquely isolates the skin friction of a Blasius boundary layer in a single term that depends only on the Reynolds number most relevant to the flow's engineering context, so that other torques are interpreted as augmentations relative to the laminar case having the same Reynolds number. The AMI equation for external flows shares this key property with the so-called FIK relation for internal flows (Fukagata et al. , Phys. Fluids , vol. 14, 2002, pp. L73–L76). Without a geometrically imposed boundary layer thickness, the length scale in the Reynolds number for the AMI equation may be chosen freely. After a brief demonstration using Falkner–Skan boundary layers, the AMI equation is applied as a diagnostic tool on four transitional and turbulent boundary layer direct numerical simulation datasets. Regions of negative wall-normal velocity are shown to play a key role in limiting the peak skin friction during the late stages of transition, and the relative strengths of terms in the AMI equation become independent of the transition mechanism a very short distance into the fully turbulent regime. The AMI equation establishes an intuitive, extensible framework for interpreting the impact of turbulence and flow control strategies on boundary layer skin friction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗