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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Investigation of pedestal parameters and divertor heat fluxes in small ELM regimes in DIII-D

Abstract Divertor heat flux and its correlation with pedestal parameters within various small edge localized mode (ELM) regimes, including high beta poloidal, type-II and ELMs with negative triangularity H-modes were investigated in DIII-D. The parallel energy fluences of type-II and high beta poloidal small ELM regimes fall below the linear scaling with pedestal electron pressure for type-I ELMs put forward in Eich et al 2017 ( Nucl. Mater. Energy 12 84–90). The negative triangularity of H-mode ELMs follow the Eich scaling for type-I ELMs. The parallel heat flux and total heat loads to the divertor were determined using high-time resolution infrared thermography, while pedestal parameters were obtained through self-consistent kinetic equilibrium reconstructions. Linear regressions for the type-II and high beta poloidal regimes demonstrate that an equivalent 7.5 MA small ELM scenario in ITER would fall below the ~5 MJ m − 2 leading edge melting limit for tungsten (Gunn et al 2017 Nucl. Fusion 57 046025). Utilizing fast thermography, the scrape-off layer power fall-off length for both inter-ELM and intra-ELM was determined and compared to the Eich scaling with poloidal magnetic field in Eich et al (ASDEX Upgrade Team and JET EFDA Contributors 2013 Nucl. Fusion 53 093031). Except for the high beta poloidal scenario, all the small ELM regimes during both inter- and intra-ELM periods had power fall-off lengths ( λ q ) larger then would be expected from the B pol , MP − 1 scaling associated with type-I ELMs, signifying their potential in managing heat loads and offering a solution for core–edge integration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Validation of an integrated modeling framework for investigating 3D plasma responses in tokamak plasmas

As contemporary experimental tokamaks are pushed toward reactor-relevant operation, they provide essential testbeds for demonstrating and exploring ELM control strategies for deployment in future fusion pilot plants. Accurate predictions of full plasma responses are essential to guide and optimize these demonstrations. This paper introduces and validates an integrated modeling framework over a historical range of DIII-D operational space. The integrated modeling framework uses only scalar plasma parameters and optional reference boundary to self-consistently and flexibly scan through tokamak operational space and estimate the corresponding ELM-suppression relevant plasma response over 3D coil phase space. The framework generates tightly converged equilibria that satisfy a target set of plasma parameters (I p , β N , l i ), with kinetic profiles constrained by an EPED(NN)-computed pedestal and empirical core model. The plasma response of these modeled equilibria is calculated with GPEC. Validated against 55 distinct DIII-D equilibria, the framework consistently reproduces experimentally constrained equilibrium pressure, q, and other representative profiles using the time-varying information from only evolving scalar plasma parameters; plasma response validation is performed for the n=3 perturbation. In particular, the plasma response of a DIII-D discharge scanning q 95 in search of ELM suppression windows is quantitatively reproduced. By accurately reproducing experimental equilibria and plasma responses across wide parameter variation, the framework supports potential for synthetic parameter scans in key operational, stability, and plasma response dimensions to investigate RMP ELM-suppression experiments and inform predictive RMP scenario optimization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

A forecast for large-scale structure constraints on Horndeski gravity with CO line intensity mapping

Here we consider the potential for line intensity mapping (LIM) of the rotational CO(1-0), CO(2-1), and CO(3-2) transitions to detect deviations from General Relativity from 0 < z < 3 within the framework of a very general class of modified gravity models, called Horndeski’s theories. Our forecast assumes a multitracer analysis separately obtaining information from the matter power spectrum and the first two multipoles of the redshift space distortion power spectrum. To achieve ±0.1 level constraints on the slope of the kinetic gravity braiding and Planck mass evolution parameters, a mm-wave LIM experiment would need to accumulate ≈10 8 –10 9 spectrometre-hours, feasible with instruments that could be deployed in the 2030s. Such a measurement would constrain the parameters of Horndeski’s theory at a level at worst competitive to and at best an order of magnitude tighter than existing constraints from the CMB and LSS. Our modelling code is publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Observation of ionization trends in a laboratory photoionized plasma experiment at Z

We report experimental and modeling results for the charge state distribution of laboratory photoionized neon plasmas in the first systematic study over nearly an order of magnitude range of ionization parameter ξ ∝ F/N e . The range of ξ is achieved by flexibility in the experimental platform to adjust either the x-ray drive flux F at the sample or the electron number density N e or both. Experimental measurements of photoionized plasma conditions over such a range of parameters enable a stringent test of atomic kinetics models used within codes that are applied to photoionized plasmas in the laboratory and astrophysics. From experimental transmission data, ion areal densities are extracted by spectroscopic analysis that is independent of atomic kinetics modeling. The measurements reveal the net result of the competition between photon-driven ionization and electron-driven recombination atomic processes as a function of ξ as it affects the charge state distribution. Results from radiation-hydrodynamics modeling calculations with detailed inline atomic kinetics modeling are compared with the experimental results. There is good agreement in the mean charge and overall qualitative similarities in the trends observed with ξ but significant quantitative differences in the fractional populations of individual ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Ion Motion in Self-Modulated Plasma Wakefield Accelerators

The effects of plasma ion motion in self-modulated plasma-based accelerators are examined. An analytical model describing ion motion in the narrow beam limit is developed and confirmed through multidimensional particle-in-cell simulations. It is shown that the ion motion can lead to the early saturation of the self-modulation instability and to the suppression of the accelerating gradients. This can reduce the total energy that can be transformed into kinetic energy of accelerated particles. For the parameters of future proton-driven plasma accelerator experiments, the ion dynamics can have a strong impact. Possible methods to mitigate the effects of the ion motion in future experiments are demonstrated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Study of the influence of ga as a surfactant during the high-temperature ammonia MBE of AlN layers on the properties of nitride heterostructures

The results of growing AlN buffer layers for transistors with a high electron mobility by high-temperature ammonia MBE using Ga as a surfactant are presented. The main parameters affecting the growth and defect formation kinetics are efficient flows of precursors and the surfactant as well as the temperature of the substrate, which limits the surfactant flow because of Ga desorption from the surface. In particular, the addition of the Ga flow equal to the Al flow at a substrate temperature of 1150°C keeps the growth rate constant, changing its kinetics herewith. This approach allows to increase the surface mobility of adatoms and provides a rapid transition to the 2D growth mode. An electron mobility up to 2000 cm{sup 2}/(V s) was achieved for heterostructures with a 2D electron gas grown using a surfactant.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Stability of Ensemble Models Predicts Productivity of Enzymatic Systems

Stability in a metabolic system may not be obtained if incorrect amounts of enzymes are used. Without stability, some metabolites may accumulate or deplete leading to the irreversible loss of the desired operating point. Even if initial enzyme amounts achieve a stable steady state, changes in enzyme amount due to stochastic variations or environmental changes may move the system to the unstable region and lose the steady-state or quasi-steady-state flux. This situation is distinct from the phenomenon characterized by typical sensitivity analysis, which focuses on the smooth change before loss of stability. Here we show that metabolic networks differ significantly in their intrinsic ability to attain stability due to the network structure and kinetic forms, and that after achieving stability, some enzymes are prone to cause instability upon changes in enzyme amounts. We use Ensemble Modelling for Robustness Analysis (EMRA) to analyze stability in four cell-free enzymatic systems when enzyme amounts are changed. Loss of stability in continuous systems can lead to lower production even when the system is tested experimentally in batch experiments. The predictions of instability by EMRA are supported by the lower productivity in batch experimental tests. Finally, the EMRA method incorporates properties of network structure, including stoichiometry and kinetic form, but does not require specific parameter values of the enzymes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Velocity and Turbulence Measurements at Three Locations in the Salish Sea, WA, 2017

This submission contains raw and processed datasets of water velocity and turbulence measurements from 3-day deployments of Deepwater Buoyancy StableMoor buoys carrying acoustic Doppler instrumentation at locations in Rosario Strait, Bellingham Channel, and Tacoma Narrows, WA in 2017. Two StableMoor buoy configurations were used at these sites. The StableMoor500 carried a nose-mounted acoustic doppler velocimeter (ADV) and a down-looking acoustic doppler current profiler (ADCP), and the StableMoor400 carried dual wing-mounted ADVs located on either side of the nose and a down-looking ADCP. Each StableMoor was designed to fly at an altitude of 10 m above the seafloor. The StableMoor500 was deployed in Bellingham Channel at 48.5601 N, 122.7501 W in 86 m of water from July 24, 2017 - July 27, 2017. The down-looking ADCP malfunctioned, and therefore there is no ADCP data at this site. The StableMoor400 was deployed in Rosario Strait mooring at 48.5800 N, 122.6597 W in 52 m of water from July 24, 2017 - July 27, 2017. Both buoys were deployed in Tacoma Narrows at 47.2766 N, 122.5466 W and 47.2769 N, 122.5471 W in 36 m of water from Nov 14, 2017 - Nov 17, 2017. Nortek Vector ADV measurements were recorded continuously at 16 Hz. Data was motion-corrected using the internal measurement unit (IMU) and external ADCP bottom-track data, bin-averaged into 10 minute bins, and then converted to the Principal (streamwise, cross-stream, vertical) coordinate system. Parameters include water velocity, turbulence intensity, turbulent kinetic energy (TKE) components, Reynolds shear stress components, TKE dissipation and production. Teledyne RDI Workhorse 1200 kHz ADCP measurements were recorded continuously at 2 Hz with bottom-track enabled. Water velocity was averaged into 10 minute bins and converted into the Principal coordinate system. One ADV with the highest quality motion-corrected was fully processed from each deployment site: the nose-mounted ADV at Bellingham Channel, the starboard-wing mounted ADV at Rosario Strait, and the port-wing mounted ADV at Tacoma Narrows. Raw data stored in this submission can be read using DOLfYN v1.3.1, available through the MHKiT python package, and was processed using Tsdat v0.7.5. Processed data are stored in netCDF4 format and can be easily viewed using the Linux "ncdump" command or read through the Xarray python package.

16 TIDAL AND WAVE POWER↗
DOE OSTI2025

Machine learning approaches for intentional materials engineering

In this article, the development of nanoporous metals and metallic composites through dealloying processes presents significant opportunities in materials engineering. However, designing multicomponent precursor alloys and establishing corresponding processing methods that yield predictable compositions and nanostructures remain a complex challenge. This article explores how machine learning (ML)-augmented computational and experimental methodologies can tackle these challenges by predicting precursor alloy compositions, final nanoporous structures, and mechanical properties, while integrating ML-enabled autonomous experimentation for material design and quantification. We highlight recent advancements in applying ML to nanostructured materials design via dealloying and discuss how techniques from other nanomaterial designs can be adapted for improved control over morphological and compositional outcomes in nanoporous and nanocomposite materials. Furthermore, we explore the role of ML in autonomous synchrotron x-ray experimentation, enabling real-time feedback between modeling and experimental setups. ML-driven approaches to microstructure characterization and mechanical property prediction are also examined, with a focus on modeling and advanced imaging techniques such as three-dimensional nanotomography. Finally, this article outlines future directions for ML-enhanced materials science, emphasizing the exploration of high-dimensional parameter spaces and the incorporation of materials kinetics into processing and property evaluation, ultimately advancing the design of nanoporous structures and materials science.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Isotherm Modeling and Techno-Economic Analysis of Contactor Technologies for New Tetraamine-Appended MOF for NGCC Applications

Recently, a family of tetraamine-functionalized metal-organic frameworks (MOF) has been reported as promising sorbent materials for capturing CO2 from flue gas conditions relevant to natural gas combined cycle (NGCC) applications. The main advantages of these materials are their two-step cooperative CO2 adsorption, which gives rise to unusual two step-shaped CO2 adsorption profiles and their high thermal stability. This work presents the modelling of the two-transition isotherm of the tetraamine-appended MOF, N,N'-bis(3-aminopropyl)-1,4-diaminobutane (3-4-3)-appended Mg2(dobpdc), and the techno-economic analysis (TEA) of carbon capture processes utilizing this sorbent. Due to the unusual isotherm shapes of the experimental CO2 adsorption data for tetraamine-appended Mg2(dobpdc) and the strong nonlinearity of CO2 loading with respect to temperature and pressure, we tested two different models which use logistic functions for representing the different isotherm behaviors in the different pressure ranges. The first model uses the quadratic isotherm model in the low-pressure region, the Langmuir isotherm model in the middle pressure range, and the dual site Langmuir isotherm model in the high-pressure range. To model the transition between regions we used the arctangent functions independent of temperature and the thermal effect was accounted by using the Clausius-Clapeyron relation]. The second model is an extension of the weighted dual-site Langmuir isotherm model presented by Hughes et al.. In this extended model, the dual-site Langmuir isotherm is employed in the three transition regions, using temperature-dependent logistic functions to activate or deactivate the isotherm model in the low, middle, and high-pressure ranges. Both models fit the experimental data quite well with root mean squared errors (RMSE’s) of 0.41 and 0.17 for model 1 and model 2, respectively. Since model 2 resulted in a lower RMSE, it was leveraged for the development of the gas/solid contactor models used by the TEA. Specifically, two different contactor models, an axial-flow fixed bed and moving bed contactor, were developed as part of this work. These models are dynamic, pressure-driven, and consist of mass, energy, and momentum conservation equations. A kinetic model was also developed by performing parameter estimation using experimental fixed bed breakthrough data. These models are then used to simulate CO2 capture processes from the flue gas generated from a ~600 gross MW NGCC power plant. A cost model was developed which considers the capital cost of the reactors and the significant operating costs such as steam and electricity. Using NETL’s Framework for the Optimization and Quantification of Uncertainty of Uncertainty and Surrogates tool (FOQUS), which has the capability of linking models built using numerous modelling platforms with derivative-free optimization solvers, a techno-economic optimization of the carbon capture processes was performed which minimizes the cost of capture.

Caballero, Daison↗
DOE OSTI2018

Final Technical Report: Mathematical Foundations for Uncertainty Quantification in Materials Design

We developed path-wise information theory-based and goal-oriented sensitivity analysis and parameter identification methods for complex high-dimensional dynamics and in particular of non-equilibrium extended molecular systems. The combination of these novel methodologies provided the first methods in the literature which are capable to handle UQ questions for stochastic complex systems with some or all of the following features: (a) multi-scale stochastic models such as (bio)chemical reaction networks, with a very large number of parameters, (b) spatially distributed systems such as Kinetic Monte Carlo or Langevin Dynamics, (c) non-equilibrium processes typically associated with coupled physico-chemical mechanisms, driven boundary conditions, hybrid micro-macro systems, etc. A particular computational challenge arises in simulations of multi-scale reaction networks and molecular systems. Mathematical techniques were applied to in silico prediction of novel materials with emphasis on the effect of microstructure on model uncertainty quantification (UQ). We outline acceleration methods to make calculations of real chemistry feasible followed by two complementary tasks on structure optimization and microstructure-induced UQ.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

FY 2016 Fusion Energy Sciences (FES) Theory and Simulation Performance Target

Annual target: Predicting the magnitude and scaling of the divertor heat load width in magnetically confined burning plasmas is a high priority for the fusion program and ITER. One of the key unresolved physics issues is what sets the heat flux width at the entrance to the divertor region. Perform massively parallel simulations using 3D edge kinetic and fluid codes to determine the parameter dependence of the heat load width at the divertor entrance and compute the divertor plate heat flux applicable to moderate particle recycling conditions. Comparisons will be made with data from DIII-D, NSTX-U, and C-Mod.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Mathematical Foundations for Uncertainty Quantification in Materials Design. Final Report

Final report DE-SC0010723. Our key accomplishment in the first year of the grant is that we started developing pathwise information theory-based and goal-oriented sensitivity analysis and parameter identification methods for complex high-dimensional dynamics and in particular of nonequilibrium extended systems. The combination of these novel methodologies provide the first methods in the literature which are capable to handle UQ questions for stochastic complex systems with some or all of the following features: (a) multi-scale models with a very large number of parameters, (b) spatially distributed systems such as Kinetic Monte Carlo or Langevin Dynamics, (c) non-equilibrium processes typically associated with coupled physico-chemical mechanisms, driven boundary conditions, etc. The first two such publications sponsored by the grant, have just been published.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Investigation of Mixing Law Efficacy for Gaseous Hydrodynamic Simulations

A computational simulation of various mixing laws for gaseous equations of state using planar traveling shocks for multiple mixtures in three dimensions is analyzed against nominal experimental data. Numerical simulations utilize the Sandia National Laboratories shock hydrodynamic code CTH and other codes including the thermochemical equilibrium code TIGER and the uncertainty qualification and sensitivity analysis code DAKOTA. The mixtures are a 1:1 and a 1:3 molar mixture of helium and sulfur hexafluoride. The mixing laws to be analyzed are the ideal gas law, Amagat's Law, Dalton's Law, the BKW EOS, the EXP6 EOS, and the JCZ3 EOS. Examination of the experimental data with TIGER revealed that the shock strength should not be strong enough to turn the mixture non-ideal as the compressibility factor z was essentially unity (z ≈ 1.02). Experimental results show that none of the equations of state are able to accurately predict the properties of the shocked mixture; similar discrepancies have been observed in previous works. Kinetic molecular theory appears to introduce a parameter which offers an explanation regarding the discrepancies. Implementation of the KMT pararneter into the EOS is left for future work.

42 ENGINEERING↗
DOE OSTI2025

Measurement of Energy Reduction of Inertial Alfvén Waves Propagating through Parallel Gradients in the Alfvén Speed

We have studied the propagation of inertial Alfvén waves through parallel gradients in the Alfvén speed using the Large Plasma Device at the University of California, Los Angeles. The reflection and transmission of Alfvén waves through inhomogeneities in the background plasma are important for understanding wave propagation, turbulence, and heating in space, laboratory, and astrophysical plasmas. Here we present inertial Alfvén waves under conditions relevant to solar flares and the solar corona. We find that the transmission of the inertial Alfvén waves is reduced as the sharpness of the gradient is increased. Any reflected waves were below the detection limit of our experiment, and reflection cannot account for all of the energy not transmitted through the gradient. Our findings indicate that, for both kinetic and inertial Alfvén waves, the controlling parameter for the transmission of the waves through an Alfvén speed gradient is the ratio of the Alfvén wavelength along the gradient divided by the scale length of the gradient. Furthermore, our results suggest that an as-yet-unidentified damping process occurs in the gradient.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1985

Effect of reactive intermediates on the propagation of turbulent premixed flames

The most simple version of the Bray and Libby model of turbulent flame propagation has been extended to include a two-step reaction mechanism in which reactants decompose into reactive intermediates which then form products. A transport equation for the joint pdf of intermediate and product concentrations was derived, the pdf parameterized, and transport equations for the parameters obtained. The one-dimensional concentration equations were then solved for the parameters of the pdf and the turbulent kinetic energy. Flame speed and angle are recovered as eigenvalues of the problem. The results show the essential features observed in experiments. The product pdf is composed of peaks at zero and unity product concentration, with a continuous structure representing partially reacted gas. The intermediates pdf has a peak at zero concentration and a broad bell-shaped distribution at nonzero concentration, representing partially reacted gas. The results also show the effect of partitioning of energy release on the flame thickness and speed.

Azzazy, M.↗
NASA NTRS1989

A novel implementation of method of optimality criterion in synthesizing spacecraft structures with natural frequency constraints

In the design of spacecraft structures, fine tuning the structure to achieve minimum weight with natural frequency constraints is a time consuming process. Here, a novel implementation of the method of optimality criterion (OC) is developed. In this new implementation of OC, the free vibration analysis results are used to compute the eigenvalue sensitivity data required for the formulation. Specifically, the modal elemental strain and kinetic energies are used. Additionally, normalized design parameters are introduced as a second level linking that allows design variables of different values to be linked together. With the use of this novel formulation, synthesis of structures with natural frequency constraint can be carried out manually using modal analysis results. Design examples are presented to illustrate this novel implementation of the optimality criterion method.

Wang, Bo Ping↗