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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Three-dimensional simulation of H-mode plasmas with localized divertor impurity injection on Alcator C-Mod using the edge transport code EMC3-EIRENE

Experiments in Alcator C-Mod to assess the level of toroidal asymmetry in divertor conditions resulting from poloidally and toroidally localized extrinsic impurity gas seeding show a weak toroidal peaking (∼1.1) in divertor electron temperatures for high-power enhanced D-alpha H-mode plasmas. This is in contrast to similar experiments in Ohmically heated L-mode plasmas, which showed a clear toroidal modulation in the divertor electron temperature. Modeling of these experiments using the 3D edge transport code EMC3-EIRENE [Y. Feng et al., J. Nucl. Mater. 241, 930 (1997)] qualitatively reproduces these trends, and indicates that the different response in the simulations is due to the ionization location of the injected nitrogen. Low electron temperatures in the private flux region (PFR) in L-mode result in a PFR plasma that is nearly transparent to neutral nitrogen, while in H-mode the impurities are ionized in close proximity to the injection location, with this latter case yielding a largely axisymmetric radiation pattern in the scrape-off-layer. The consequences for the ITER gas injection system are discussed. Quantitative agreement with the experiment is lacking in some areas, suggesting potential areas for improving the physics model in EMC3-EIRENE.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Electron transport in unipolar InGaN/GaN multiple quantum well structures grown by NH{sub 3} molecular beam epitaxy

Unipolar-light emitting diode like structures were grown by NH{sub 3} molecular beam epitaxy on c plane (0001) GaN on sapphire templates. Studies were performed to experimentally examine the effect of random alloy fluctuations on electron transport through quantum well active regions. These unipolar structures served as a test vehicle to test our 2D model of the effect of compositional fluctuations on polarization-induced barriers. Variables that were systematically studied included varying quantum well number from 0 to 5, well thickness of 1.5 nm, 3 nm, and 4.5 nm, and well compositions of In{sub 0.14}Ga{sub 0.86}N and In{sub 0.19}Ga{sub 0.81}N. Diode-like current voltage behavior was clearly observed due to the polarization-induced conduction band barrier in the quantum well region. Increasing quantum well width and number were shown to have a significant impact on increasing the turn-on voltage of each device. Temperature dependent IV measurements clearly revealed the dominant effect of thermionic behavior for temperatures from room temperature and above. Atom probe tomography was used to directly analyze parameters of the alloy fluctuations in the quantum wells including amplitude and length scale of compositional variation. A drift diffusion Schrödinger Poisson method accounting for two dimensional indium fluctuations (both in the growth direction and within the wells) was used to correctly model the turn-on voltages of the devices as compared to traditional 1D simulation models.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Optical and transport properties of dense liquid silica

Using density-functional-theory based molecular dynamics and the Kubo-Greenwood linear response theory, we evaluated the high-pressure equation of state and the optical and transport properties of quartz and fused silica shock-compressed to 2000 GPa. The computed Hugoniots and corresponding optical reflectivity values are in very good agreement with published data for quartz, and new data that we obtained on fused silica using magnetically launched flyer plate experiments. The rise of optical reflectivity upon shock compression appears to be primarily a temperature-driven mechanism, which is relatively insensitive to small density variation. We observed that the electrical conductivity does not display Drude-like frequency dependence, especially at lower temperatures. In addition, the Wiedemann-Franz relation between electrical and thermal conductivities was found to be invalid. It suggests that even at three-fold compression, warm dense liquid silica on the Hugoniot curve is still far away from the degenerate limit.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Electronic, transport, and optical properties of bulk and mono-layer PdSe 2

In this study, the electronic and optical properties of bulk and monolayer PdSe 2 are investigated using firstprinciples calculations. Using the modified Becke-Johnson potential, we find semiconductor behavior for both bulk and monolayer PdSe 2 with indirect gap values of 0.03 eV for bulk and 1.43 eV for monolayer, respectively. Our sheet optical conductivity results support this observation and show similar anisotropic feature in the 2D plane. We further study the thermoelectric properties of the 2D PdSe 2 using Blotzmann transport model and find interestingly high Seebeck coefficients (>200 μV/K) for both p- and n-type up to high doping level (–2 x 10 13 cm 2 ) with an anisotropic character in an electrical conductivity suggesting better thermoelectric performance along y direction in the plane.V

36 MATERIALS SCIENCE↗
DOE OSTI2016

Transport and deceleration of fusion products in microturbulence

The velocity-space distribution of alpha particles born in fusion devices is subject to modification at moderate energies due to turbulent transport. Therefore, one must calculate the evolution of an equilibrium distribution whose functional form is not known a priori. Using a novel technique, applicable to any trace impurity, we have made this calculation for fully nonlinear gyrokinetic simulations not only possible but also particularly efficient. We demonstrate a microturbulence-induced departure from the local slowing-down distribution, an inversion of the energy distribution, and associated modifications to the alpha heating and pressure profiles in an ITER-like scenario.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

X-ray transport and radiation response assessment (XTRRA) experiments at the National Ignition Facility

Our team has developed an experimental platform to evaluate the x-ray-generated stress and impulse in materials. Experimental activities include x-ray source development, design of the sample mounting hardware and sensors interfaced to the National Ignition Facility’s diagnostics insertion system, and system integration into the facility. This paper focuses on the X-ray Transport and Radiation Response Assessment (XTRRA) test cassettes built for these experiments. The test cassette is designed to position six samples at three predetermined distances from the source, each known to within ±1% accuracy. Built-in calorimeters give in situ measurements of the x-ray environment along the sample lines of sight. The measured accuracy of sample responses as well as planned modifications to the XTRRA cassette is discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Ion thermal transport in the H-mode edge transport barrier on DIII-D

The power balance ion heat flux in the pedestal region on DIII-D increases and becomes increasingly anomalous (above conventional neoclassical) in experiments with higher temperature and lower density pedestals where the ion collisionality ($v^*_i$) is lowered toward values expected on ITER. Direct measurements of the main-ion temperature are shown to be essential on DIII-D when calculating the ion heat flux due to differences between the temperature of $D^+$ and the more commonly measured $C^{6+}$ impurity ions approaching the separatrix. Neoclassical transport calculations from NEO and non-linear gyrokinetic calculations using CGYRO are consistent with these observations and show that while neoclassical transport plays an important role, the turbulent ion heat flux due to ion scale electrostatic turbulence is significant and can contribute similar or larger ion heat fluxes at lower collisionality. Beam emission spectroscopy and Doppler backscattering measurements in the steep gradient region of the H-mode pedestal reveal increased broadband, long-wavelength ion scale fluctuations for the low $v^*_i$ discharges at the radius where the non-linear CGYRO simulations were run. Taken together, increased fluctuations, power balance calculations, and gyrokinetic simulations show that the above neoclassical ion heat fluxes, including the increases at lower $v^*_i$, are likely due to weakly suppressed ion scale electrostatic turbulence. These new results are based on world first inferred ion and electron heat fluxes in the pedestal region of deuterium plasmas using direct measurements of the deuterium temperature for power balance across ion collisionalities covering an order of magnitude from high $v^*_i$ values of 1.3 down to ITER relevant $v^*_i$ ~0.1.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

bhlight: GENERAL RELATIVISTIC RADIATION MAGNETOHYDRODYNAMICS WITH MONTE CARLO TRANSPORT

We present bhlight, a numerical scheme for solving the equations of general relativistic radiation magnetohydrodynamics using a direct Monte Carlo solution of the frequency-dependent radiative transport equation. bhlight is designed to evolve black hole accretion flows at intermediate accretion rate, in the regime between the classical radiatively efficient disk and the radiatively inefficient accretion flow (RIAF), in which global radiative effects play a sub-dominant but non-negligible role in disk dynamics. We describe the governing equations, numerical method, idiosyncrasies of our implementation, and a suite of test and convergence results. We also describe example applications to radiative Bondi accretion and to a slowly accreting Kerr black hole in axisymmetry.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Neural network model of the multi-mode anomalous transport module for accelerated transport simulations

Here, a neural network version of the Multi-Mode Anomalous Transport Module, known as MMMnet, has been developed to calculate plasma turbulent diffusivities in DIII-D with a calculation time suitable for control applications. MMMnet uses a simple artificial neural network structure to predict the ion thermal, electron thermal, and toroidal momentum diffusivities while reproducing Multi-Mode Model (MMM) data with good accuracy and keeping the calculation time as a fraction of that associated with MMM. Model-based control techniques require models with fast calculation times, making many existing physics-oriented predictive codes unsuitable. The control-oriented predictive code COTSIM (Control Oriented Transport SIMulator) calculates the most significant plasma dynamics in response to the different actuators while running at a speed useful for control design. In order to achieve this calculation speed, COTSIM often relies on scaling laws and control-level models. Replacing some of these scaling laws and control-level models with neural network versions of more complex physics-level models has the potential of increasing the range of validity and the level of accuracy of COTSIM without compromising its computational speed. In this work, MMMnet is integrated into COTSIM to improve the turbulent diffusivity predictions, which will in turn improve the prediction accuracy associated with the dynamics of many plasma properties.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Effects of Porous Carbon Morphology, Agglomerate Structure and Relative Humidity on Local O 2 Transport Resistance

The morphology and ionomer distribution in a polymer electrolyte membrane fuel cell (PEMFC) cathode electrode are quantified with nano-scale resolution X-ray computed tomography (nano-CT). Using the nano-CT data, different shapes, sizes and compositions of agglomerates are extracted. Statistical information from multiple techniques, including transmission electron microscopy (TEM), ultra-small angle X-ray scattering (USAXS), and Brunauer-Emmett-Teller (BET) gas adsorption porosimetry are combined to reconstruct the high surface-area porous carbon (HSC) support, exterior (on the surface of carbon) and interior (inside carbon pores) catalysts, ionomer, and primary pores in the extracted agglomerates. Application of capillary condensation theory to the reconstructed agglomerate structure is shown to accurately represent the experimentally-observed relative humidity (RH) dependence of the electrochemically-active surface area (ECA). Direct numerical simulations show that the high local O 2 transport resistance ( R O 2 ) under dry conditions is mainly associated with the reduced ECA. We demonstrate that the agglomerate shape and size affect R O 2 only if the primary pores are poorly accessible (i.e., capillary-condensed water filled primary pores). We also evaluate the effect of transport to the interior catalyst particles on R O 2 .

agglomerate↗
DOE OSTI2016

SIMULATION OF ENERGETIC PARTICLE TRANSPORT AND ACCELERATION AT SHOCK WAVES IN A FOCUSED TRANSPORT MODEL: IMPLICATIONS FOR MIXED SOLAR PARTICLE EVENTS

We use numerical solutions of the focused transport equation obtained by an implicit stochastic differential equation scheme to study the evolution of the pitch-angle dependent distribution function of protons in the vicinity of shock waves. For a planar stationary parallel shock, the effects of anisotropic distribution functions, pitch-angle dependent spatial diffusion, and first-order Fermi acceleration at the shock are examined, including the timescales on which the energy spectrum approaches the predictions of diffusive shock acceleration theory. We then consider the case that a flare-accelerated population of ions is released close to the Sun simultaneously with a traveling interplanetary shock for which we assume a simplified geometry. We investigate the consequences of adiabatic focusing in the diverging magnetic field on the particle transport at the shock, and of the competing effects of acceleration at the shock and adiabatic energy losses in the expanding solar wind. We analyze the resulting intensities, anisotropies, and energy spectra as a function of time and find that our simulations can naturally reproduce the morphologies of so-called mixed particle events in which sometimes the prompt and sometimes the shock component is more prominent, by assuming parameter values which are typically observed for scattering mean free paths of ions in the inner heliosphere and energy spectra of the flare particles which are injected simultaneously with the release of the shock.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Model representations of aerosol layers transported from North America over the Atlantic Ocean during the Two-Column Aerosol Project

The ability of the Weather Research and Forecasting model with chemistry (WRF-Chem) version 3.7 and the Community Atmosphere Model version 5.3 (CAM5) in simulating profiles of aerosol properties is quantified using extensive in situ and remote sensing measurements from the Two Column Aerosol Project (TCAP) conducted during July of 2012. TCAP was supported by the U.S. Department of Energy’s Atmospheric Radiation Measurement program and was designed to obtain observations within two atmospheric columns; one fixed over Cape Cod, Massachusetts and the other several hundred kilometers over the ocean. The performance is quantified using most of the available aircraft and surface measurements during July, and two days are examined in more detail to identify the processes responsible for the observed aerosol layers. The higher resolution WRF-Chem model produced more aerosol mass in the free troposphere than the coarser resolution CAM5 model so that the fraction of aerosol optical thickness above the residual layer from WRF-Chem was more consistent with lidar measurements. We found that the free troposphere layers are likely due to mean vertical motions associated with synoptic-scale convergence that lifts aerosols from the boundary layer. The vertical displacement and the time period associated with upward transport in the troposphere depend on the strength of the synoptic system and whether relatively high boundary layer aerosol concentrations are present where convergence occurs. While a parameterization of subgrid scale convective clouds applied in WRF-Chem modulated the concentrations of aerosols aloft, it did not significantly change the overall altitude and depth of the layers.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2016

Dopant‐Free Hole Transporting Polymers for High Efficiency, Environmentally Stable Perovskite Solar Cells

Over the past five years, a rapid progress in organometal‐halide perovskite solar cells has greatly influenced emerging solar energy science and technology. In perovksite solar cells, the overlying hole transporting material (HTM) is critical for achieving high power conversion efficiencies (PCEs) and for protecting the air‐sensitive perovskite active layer. This study reports the synthesis and implementation of a new polymeric HTM series based on semiconducting 4,8‐dithien‐2‐yl‐benzo[1,2‐ d ;4,5‐ d ′]bistriazole‐ alt ‐benzo[1,2‐ b :4,5‐ b ′]dithiophenes (pBBTa‐BDTs), yielding high PCEs and environmentally‐stable perovskite cells. These intrinsic (dopant‐free) HTMs achieve a stabilized PCE of 12.3% in simple planar heterojunction cells—the highest value to date for a polymeric intrinsic HTM. This high performance is attributed to efficient hole extraction/collection (the most efficient pBBTa‐BDT is highly ordered and orients π‐face‐down on the perovskite surface) and balanced electron/hole transport. The smooth, conformal polymer coatings suppress aerobic perovskite film degradation, significantly enhancing the solar cell 85 °C/65% RH PCE stability versus typical molecular HTMs.

Liao, Hsueh‐Chung↗