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At least 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Quantifying carrier density in monolayer MoS 2 by optical spectroscopy

The successful design and device integration of nanoscale heterointerfaces hinges upon precise manipulation of both ground- and excited-state charge carrier (electron and hole) densities. However, it is particularly challenging to quantify these charge carrier densities in nanoscale materials, leading to uncertainties in the mechanisms of many carrier density-dependent properties and processes. Here, we demonstrate a method that utilizes steady-state and transient absorption spectroscopies to correlate monolayer MoS 2 electron density with the easily measured metric of excitonic optical absorption quenching in a variety of mixed-dimensionality s-SWCNT/MoS 2 heterostructures. By employing a 2D phase-space filling model, the resulting correlation elucidates the relationship between charge density, local dielectric environment, and concomitant excitonic properties. The phase-space filling model is also able to describe existing trends from the literature on transistor-based measurements on MoS 2 , WS 2 , and MoSe 2 monolayers that were not previously compared to a physical model, providing additional support for our method and results. The findings provide a pathway to the community for estimating both ground- and excited-state carrier densities in a wide range of TMDC-based systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Implementation of Combined Feather and Surface-Normal Ice Growth Models in LEWICE/X

Experimental observations have shown that discrete rime ice growths called feathers, which grow in approximately the direction of water droplet impingement, play an important role in the growth of ice on accreting surfaces for some thermodynamic conditions. An improved physical model of ice accretion has been implemented in the LEWICE 2D panel-based ice accretion code maintained by the NASA Lewis Research Center. The LEWICE/X model of ice accretion explicitly simulates regions of feather growth within the framework of the LEWICE model. Water droplets impinging on an accreting surface are withheld from the normal LEWICE mass/energy balance and handled in a separate routine; ice growth resulting from these droplets is performed with enhanced convective heat transfer approximately along droplet impingement directions. An independent underlying ice shape is grown along surface normals using the unmodified LEWICE method. The resulting dual-surface ice shape models roughness-induced feather growth observed in icing wind tunnel tests. Experiments indicate that the exact direction of feather growth is dependent on external conditions. Data is presented to support a linear variation of growth direction with temperature and cloud water content. Test runs of LEWICE/X indicate that the sizes of surface regions containing feathers are influenced by initial roughness element height. This suggests that a previous argument that feather region size is determined by boundary layer transition may be incorrect. Simulation results for two typical test cases give improved shape agreement over unmodified LEWICE.

Matthew T Velazquez↗
NASA NTRS2005

LWS Proposal to Provide Scientific Guidance and Modeling Support for the Ionospheric Mapping Mission

A data assimilation system for specifying the thermospheric density has been developed over the last several years. This system ingests GRACE/CHAMP-type in situ as well as SSULI/SSUSI remote sensing observations while making use of a physical model, the Coupled Thermosphere-Ionosphere Model (CTIM) (Fuller-Rowel1 et al., 1996). The Kalman filter was implemented as the backbone to the data assimilation system, which provides a statistically 'best' estimate as well as an estimate of the error in its state. The system was tested using a simulated thermosphere and observations. CHAMP data were then used to provide the system with a real data source. The results of this study are herein.

Richmond, Arthur D.↗
DOE OSTI2025

Modeling the Interaction of Laser-Produced Proton Beams with Matter

A major goal of this project is to significantly increase our understanding of isochoric heating of matter using laser produced proton beams, and the associated high energy density (HED) and warm dense matter (WDM) regimes generated. This will benefit research fields such as planetary science, fusion energy, plasma physics, and material science. For example, it will enhance our understanding of WDM properties of iron and silica under conditions encountered in planetary interiors and diagnostic components in fusion devices exposed to high fluxes of energetic plasma ions. The project is motivated by recent experiments that irradiated Si targets with proton beams generated by the 20 TW-laser at the SLAC MEC end-station. The HED/WDM states are probed using the 50 fs hard X-rays available in the 3rd harmonic of the LCLS. As part of this project, results from the phase contrast X-ray imaging, which shows the generation of compression waves that produces rear surface spallation, are compared with results from the 3D multi-physics multi- material code, PISALE, that combines Arbitrary Lagrangian-Eulerian (ALE) hydrodynamics with Adaptive Mesh Refinement (AMR). This comparison required modifications to several physics models in the PISALE (Pacific Island Structured-AMR with ALE) code. An important aspect of this project is the continued training of graduate students in HED physics and in conducting complex multiphysics simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Spatio–Temporal Machine Learning for Regional to Continental Scale Terrestrial Hydrology

Integrated hydrologic models can simulate coupled surface and subsurface processes but are computationally expensive to run at high resolutions over large domains. Here we develop a novel deep learning model to emulate subsurface flows simulated by the integrated ParFlow–CLM model across the contiguous US. We compare convolutional neural networks like ResNet and UNet run autoregressively against our novel architecture called the Forced SpatioTemporal RNN (FSTR). The FSTR model incorporates separate encoding of initial conditions, static parameters, and meteorological forcings, which are fused in a recurrent loop to produce spatiotemporal predictions of groundwater. We evaluate the model architectures on their ability to reproduce 4D pressure heads, water table depths, and surface soil moisture over the contiguous US at 1 km resolution and daily time steps over the course of a full water year. The FSTR model shows superior performance to the baseline models, producing stable simulations that capture both seasonal and event–scale dynamics across a wide array of hydroclimatic regimes. The emulators provide over 1,000× speedup compared to the original physical model, which will enable new capabilities like uncertainty quantification and data assimilation for integrated hydrologic modeling that were not previously possible. Our results demonstrate the promise of using specialized deep learning architectures like FSTR for emulating complex process–based models without sacrificing fidelity.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Optical constants of magnetron sputtered aluminum in the range 17–1300 eV with improved accuracy and ultrahigh resolution in the L absorption edge region

This work determines a new set of EUV/x-ray optical constants for aluminum (Al), one of the most important materials in science and technology. Absolute photoabsorption (transmittance) measurements in the 17–1300 eV spectral range were performed on freestanding Al films protected by carbon (C) layers, to prevent oxidation. The dispersive portion of the refractive index was obtained via the Kramers–Kronig transformation. Our data provide significant improvements in accuracy compared to previously tabulated values and reveal fine structure in the Al L 1 and L 2,3 regions, with photon energy step sizes as small as 0.02 eV. The implications of this work in the successful realization of EUV/x-ray instruments and in the validation of atomic and molecular physics models are also discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Development and Experimental Optimization of High-Temperature Modeling Tools and Methods for Concentrated Solar Power Particle - Systems

A novel, open-source radiative modeling toolset was developed to extend the functionality of particle-based modeling software (e.g. discrete element method (DEM)) to environmental conditions relevant to concentrated solar power applications. This toolset was optimized for deployment on desktop workstations instead of high-performance computing systems, to render such tools more accessible to the research community. Both particle-based modeling and radiative exchange modeling are computationally expensive and often require specialized programming expertise, making these methods cumbersome to use. Recent developments in DEM software by DCS Computing have greatly reduced these challenges, providing a graphical-user-interface based platform and modeling optimization for desktop workstations, HPCs, and cloud computing. The University of Dayton leveraged the experience of DCS Computing in developing a user-friendly, open-source radiative heat transfer expansion for DEM modeling. The University of Dayton DEM+ radiative modeling toolset was developed using a combination of fundamental experimental measurements, modeling, and simplified flow experiments over a range of temperatures and flow conditions. The toolset provides researchers with access to multiple radiative models including an accelerated Monte-Carlo Ray Tracing (application agnostic, highly computationally expensive), an expanded database of distance-based approximations (application limited, computationally light), and a weighted blending of the two methods capable of achieving over 90% reduction in computation time with equivalent accuracy compared to Monte-Carlo Ray Tracing. Through a graphical user interface, users can customize the radiative models to match their desired accuracy and available computational resources, improving access to particle based modeling for the research community. Ceramic sintered bauxite proppants were used in modeling and experimentally as a baseline. Both the radiative heat transfer and flow properties for particulate systems were investigated at elevated temperatures up to 800 °C. The major accomplishments for this work include a verified, open-source radiative modeling toolset to be distributed amongst the research community and the fabrication of three small-scale test facilities to investigate particle behavior and tune DEM flow properties for operation up to 800 °C. The findings have been shared with the research community via conference modeling workshops, deployment of the tools in DCS Computing Aspherix®, and open-source access to the developed radiative modeling tool. The development of next-generation CSP facilities and thermal energy storage systems based on ceramic particles requires providing access to computationally efficient and accurate modeling tools. Particles will experience a wide range of environments (20-800 °C) and handling conditions (dilute curtains or dense packing), requiring specially designed and optimized equipment. Optimizing solid particle physics models and establishing best-practices for particle modeling in CSP environments will assist researchers with designing optimized equipment, accelerating the deployment of more economically-competitive CSP facilities.

14 SOLAR ENERGY↗
NASA NTRS1979

Effect of subjectively enhancing the initial vorticity field in a short-range numerical forecast

The paper tests a simple method to incorporate subsynoptic-scale information into the initial conditions of a forecast model. The amplitude, orientation and vertical structure of the vorticity field associated with the subsynoptic-scale disturbance are estimated subjectively; this is done using a combination of climatological and physical models together with all available data. The initial values of geopotential are then obtained in the vicinity of the subsynoptic-scale disturbance, as over the rest of the domain, through the balance equation. Two sets of initial conditions are tested in 12-hr forecasts using a six-layer version of a primitive equation forecast model (Anthes and Warner, 1978). The analysis schemes consisted of (1) a careful subjective analysis of radiosonde data with a high-resolution objective interpolation, and (2) the same preceding analysis but including data derived from the enhanced vorticity fields in the vicinity of the subsynoptic-scale disturbance. The results are discussed in some detail.

Fried, G. D.↗
NASA NTRS1983

Anisotropic models of the upper mantle

Long period Rayleigh wave and Love wave dispersion data, particularly for oceanic areas, were not simultaneously satisfied by an isotropic structure. Available phase and group velocity data are inverted by a procedure which includes the effects of transverse anisotropy, an elastic dispersion, sphericity, and gravity. The resulting models, for the average Earth, average ocean and oceanic regions divided according to the age of the ocean floor, are quite different from previous results which ignore the above effects. The models show a low velocity zone with age dependent anisotropy and velocities higher than derived in previous surface wave studies. The correspondence between the anisotropy variation with age and a physical model based on flow aligned olivine is suggested.

Regan, J.↗
NASA NTRS1984

Anisotropic models of the upper mantle

Long period Rayleigh wave and Love wave dispersion data, particularly for oceanic areas, were not simultaneously satisfied by an isotropic structure. Available phase and group velocity data are inverted by a procedure which includes the effects of transverse anisotropy, an elastic dispersion, sphericity, and gravity. The resulting models, for the average earth, average ocean and oceanic regions divided according to the age of the ocean floor, are quite different from previous results which ignore the above effects. The models show a low velocity zone with age dependent anisotropy and velocities higher than derived in previous surface wave studies. The correspondence between the anisotropy variation with age and a physical model based on flow aligned olivine is suggested.

Regan, J.↗
NASA NTRS2001

Warm-Core Intensification Through Horizontal Eddy Heat Transports into the Eye

A simulation of Hurricane Bob (1991) using the PSU/NCAR MM5 mesoscale model with a finest mesh spacing of 1.3 km is used to diagnose the heat budget of the hurricane. Heat budget terms, including latent and radiative heating, boundary layer forcing, and advection terms were output directly from the model for a 6-h period with 2-min frequency. Previous studies of warm core formation have emphasized the warming associated with gentle subsidence within the eye. The simulation of Hurricane Bob confirms subsidence warming as a major factor for eye warming, but also shows a significant contribution from horizontal advective terms. When averaged over the area of the eye, subsidence is found to strongly warm the mid-troposphere (2-9 km) while horizontal advection warms the mid to upper troposphere (5-13 km) with about equal magnitude. Partitioning of the horizontal advective terms into azimuthal mean and eddy components shows that the mean radial circulation does not, as expected, generally contribute to this warming, but that it is produced almost entirely by the horizontal eddy transport of heat into the eye. A further breakdown of the eddy components into azimuthal wave numbers 1, 2, and higher indicates that the warming is dominated by wave number 1 asymmetries, with smaller coming from higher wave numbers. Warming by horizontal eddy transport is consistent with idealized modeling of vortex Rossby waves and work is in progress to identify and clarify the role of vortex Rossby waves in warm-core intensification in both the full-physics model and idealized models.

Braun, Scott A.↗
NASA NTRS2001

Warm-Core Intensification of a Hurricane Through Horizontal Eddy Heat Transports Inside the Eye

A simulation of Hurricane Bob (1991) using the PSU/NCAR MM5 mesoscale model with a finest mesh spacing of 1.3 km is used to diagnose the heat budget of the hurricane. Heat budget terms, including latent and radiative heating, boundary layer forcing, and advection terms were output directly from the model for a 6-h period with 2-min frequency. Previous studies of warm core formation have emphasized the warming associated with gentle subsidence within the eye. The simulation of Hurricane Bob also identifies subsidence warming as a major factor for eye warming, but also shows a significant contribution from horizontal advective terms. When averaged over the area of the eye, excluding the eyewall (at least in an azimuthal mean sense), subsidence is found to strongly warm the mid-troposphere (2-9 km) while horizontal advection warms the mid to upper troposphere (5-13 km) with about equal magnitude. Partitioning of the horizontal advective terms into azimuthal mean and eddy components shows that the mean radial circulation cannot, as expected, generally contribute to this warming, but that it is produced almost entirely by the horizontal eddy transport of heat into the eye. A further breakdown of the eddy components into azimuthal wave numbers 1, 2, and higher indicates that the warming is dominated by wave number 1 asymmetries, with smaller contributions coming from higher wave numbers. Warming by horizontal eddy transport is consistent with idealized modeling of vortex Rossby waves and work is in progress to identify and clarify the role of vortex Rossby waves in warm-core intensification in both the full-physics model and idealized models.

Braun, Scott A.↗
NASA NTRS2004

Integration of Dynamic Models in Range Operations

This work addresses the various model interactions in real-time to make an efficient internet based decision making tool for Shuttle launch. The decision making tool depends on the launch commit criteria coupled with physical models. Dynamic interaction between a wide variety of simulation applications and techniques, embedded algorithms, and data visualizations are needed to exploit the full potential of modeling and simulation. This paper also discusses in depth details of web based 3-D graphics and applications to range safety. The advantages of this dynamic model integration are secure accessibility and distribution of real time information to other NASA centers.

Bardina, Jorge↗
NASA NTRS2009

Compressibility Considerations for kappa-omega Turbulence Models in Hypersonic Boundary Layer Applications

The ability of kappa-omega models to predict compressible turbulent skin friction in hypersonic boundary layers is investigated. Although uncorrected two-equation models can agree well with correlations for hot-wall cases, they tend to perform progressively worse - particularly for cold walls - as the Mach number is increased in the hypersonic regime. Simple algebraic models such as Baldwin-Lomax perform better compared to experiments and correlations in these circumstances. Many of the compressibility corrections described in the literature are summarized here. These include corrections that have only a small influence for kappa-omega models, or that apply only in specific circumstances. The most widely-used general corrections were designed for use with jet or mixing-layer free shear flows. A less well-known dilatation-dissipation correction intended for boundary layer flows is also tested, and is shown to agree reasonably well with the Baldwin-Lomax model at cold-wall conditions. It exhibits a less dramatic influence than the free shear type of correction. There is clearly a need for improved understanding and better overall physical modeling for turbulence models applied to hypersonic boundary layer flows.

Rumsey, C. L.↗
NASA NTRS2020

A Broad-Band X-Ray Spectral Study of the Seyfert 1 Galaxy ESO 141–G055 with XMM-Newton and NuSTAR

We have extensively studied the broad–band X-ray spectra of the source ESO 141–G055 using all available XMM–Newton and NuSTAR observations. We detect a prominent soft excess below 2 keV, a narrow Fe line, and a Compton hump (> 10 keV). The origin of the soft excess is still debated. We used two models to describe the soft excess: the blurred reflection from the ionized accretion disc and the intrinsic thermal Comptonization model. We find that both of these models explain the soft excess equally well. We confirm that we do not detect any broad Fe line in the X-ray spectra of this source, although both the physical models prefer a maximally spinning black hole scenario (a > 0.96). This may mean that either the broad Fe line is absent or blurred beyond detection. The Eddington rate of the source is estimated to be λ(sub Edd) ∼ 0.31. In the reflection model, the Compton hump has a contribution from both ionized and neutral reflection components. The neutral reflector which simultaneously describes the narrow Fe K(sub α) and the Compton hump has a column density of N(sub H) ≤ 7 × 10(exp 24) cm(exp -2). In addition, we detect a partially covering ionized absorption with ionization parameter log ξ/ erg cm s(exp -1) = 0.1(sup +0.1)(sub -0.1) and column density N(sub H) = 20.6(sup +1.0)(sub -1.0) × 10(exp 22) cm(exp -2) with a covering factor of 0.21(sup +0.01)(sub -0.01).

ESO 141–G055↗
DOE OSTI2020

Theory for transport in magnetized plasmas

We present a two fluid model for anomalous thermal, particle and momentum transport which has been derived from kinetic theory using a small parameter ε~10-2. This small parameter can come from either the ratio of wave frequency to cyclotron frequency or the ratio of potential to thermal energies. This fluid model is strongly nonlinear and has an exact closure within the accuracy ε. It can be used to simulate the full radius of a tokamak including internal and edge transport barriers at the same time without introducing any local assumptions for physics model or grid size. It involves a full transport matrix, thus giving possibility for both density and heat pinches. The model can be derived from the Vlasov equation, adding also close collisions and includes particle pinches of the type found in the magnetosphere and in the Massachusetts Institute of Technology elevated dipole machine. Pinches are also in agreement for the heat pinch experiments on Doublet III D including simultaneous particle and heat pinches. For tokamaks it gives the right scaling of confinement time versus heating power. Finally, we have also recovered the Turbulent Equipartition result that the density scales as inverse safety factor q in typical simulations. Thus this model is both fundamental and of high practical use.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Time-dependent saturation and physics-based nonlinear model of cross-beam energy transfer

The nonlinear physics of cross-beam energy transfer (CBET) for multi-speckled laser beams is examined using large-scale particle-in-cell simulations for a range of laser and plasma conditions relevant to indirect-drive inertial confinement fusion (ICF) experiments. The time-dependent growth and saturation of CBET involve complex, nonlinear ion and electron dynamics, including ion trapping-induced enhancement and detuning, ion acoustic wave (IAW) nonlinearity, oblique forward stimulated Raman scattering (FSRS), and backward stimulated Brillouin scattering (BSBS) in a CBET-amplified seed beam. Ion-trapping-induced detuning of CBET is captured in the kinetic linear response by a new δf-Gaussian-mixture algorithm, enabling an accurate characterization of trapping-induced non-Maxwellian distributions. Ion trapping induces nonlinear processes, such as changes to the IAW dispersion and nonlinearities (e.g., bowing and self-focusing), which, together with pump depletion, FSRS, and BSBS, determine the time-dependent nature and level of CBET gain as the system approaches a steady state. Using VPIC simulations at intensities at and above the onset threshold for ion trapping and the insight from the time-dependent saturation analyses, we construct a nonlinear CBET model from local laser and plasma conditions that predicts the CBET gain and the energy deposition into the plasma. This model is intended to provide a more accurate, physics-based description of CBET saturation over a wide range of conditions encountered in ICF hohlraums compared with linear CBET gain models with ad hoc saturation clamps often used in laser ray-based methods in multi-physics codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

The importance of flavor in SMEFT Electroweak Precision Fits

Effective field theory tools are essential for exploring non-Standard Model physics at the LHC in the absence of the discovery of new light particles. Predictions for observables are typically made at the lowest order in the QCD and electroweak expansions in the Standard Model effective field theory (SMEFT) and often ignore the effects of flavor. Here, we present results for electroweak precision observables (EWPOs) at the next-to-leading order QCD and electroweak expansions (NLO) of the SMEFT with an arbitrary flavor structure for the fermion operators. Numerical NLO SMEFT fits to EWPOs have a strong dependence on the assumed flavor structures and we demonstrate this using various popular assumptions for flavor symmetries.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗