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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Robust Avoidance of Edge-Localized Modes alongside Gradient Formation in the Negative Triangularity Tokamak Edge

In a series of high performance diverted discharges on DIII-D, we demonstrate that strong negative triangularity (NT) shaping robustly suppresses all edge-localized mode (ELM) activity over a wide range of plasma conditions: ⟨n⟩ = 0.1 − 1.5 × 1020 m−3, Paux = 0 − 15 MW and |Bt| = 1 − 2.2 T, corresponding to Ploss/PLH08 ∼ 8. The full dataset is consistent with the theoretical prediction that magnetic shear in the NT edge inhibits access to ELMing H-mode regimes; all experimental pressure profiles are found to be at or below the infinite-n ballooning stability limit. Our present dataset also features edge pressure gradients in strong NT that are closer to an H–mode than a typical L-mode plasma, supporting the consideration of NT for reactor design.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Nonvanishing quadrature derivatives in the analytical gradients of density functional energies in crystals and helices

It is shown that the quadrature derivatives in some analytical gradients of energies evaluated with a multi-centre radial-angular grid do not vanish even in the limit of an infinitely dense grid, causing severe errors when neglected. The gradients in question are those with respect to a lattice constant of a crystal or to the helical angle of a chain with screw axis symmetry. Furthermore, this is in contrast with the quadrature derivatives in atomic gradients, which can be made arbitrarily small by grid extension. The disparate behaviour is traced to whether the grid points depend on the coordinate with respect to which the derivative of energy is taken. Whereas the nonvanishing quadrature derivative in the lattice-constant gradient is identified as the surface integral arising from an expanding integration domain, the analytical origin of the nonvanishing quadrature derivative in the helical-angle gradient remains unknown.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Coupled Interfacial Kinetics and Transport Resistances Govern High-Current Behavior in Bipolar Membranes

Bipolar membranes (BPMs) enable electrochemical systems that operate across large pH gradients; however, high-current operation is often limited by voltage losses whose origins remain difficult to resolve in membrane−electrode assemblies. Here, we combine electrochemical impedance spectroscopy with distribution of relaxation times (EIS–DRT) analysis and operando synchrotron X-ray diffraction to examine interfacial polarization, membrane hydration, and transport in commercial and synthesized BPMs. EIS–DRT isolates the BPM-associated interfacial contribution and shows that the commercial BPM exhibits larger water-dissociation-associated overpotentials than the synthesized BPM. Operando hydration mapping shows that both membranes retain water at the bipolar junction during high-current operation, while anode-adjacent hydration gradients are more pronounced in the commercial membrane. These results indicate that high-current voltage losses are not governed by junction water starvation alone but by coupled interfacial polarization and transport resistances.

36 MATERIALS SCIENCE↗
NASA NTRS2001

Flame Synthesis of Single- and Multi-Walled Carbon Nanotubes and Nanofibers

Metal-catalyzed carbon nanotubes are highly sought for a diverse range of applications that include nanoelectronics, battery electrode material, catalysis, hydrogen storage media and reinforcing agents in polymer composites. These latter applications will require vast quantities of nanotubes at competitive prices to be economically feasible. Moreover, reinforcing applications may not require ultrahigh purity nanotubes. Indeed, functionalization of nanotubes to facilitate interfacial bonding within composites will naturally introduce defects into the tube walls, lessening their tensile strength. Current methods of aerosol synthesis of carbon nanotubes include laser ablation of composite targets of carbon and catalyst metal within high temperature furnaces and decomposition of a organometallics in hydrocarbons mixtures within a tube furnace. Common to each approach is the generation of particles in the presence of the reactive hydrocarbon species at elevated temperatures. In the laser-ablation approach, the situation is even more dynamic in that particles and nanotubes are borne during the transient cooling phase of the laser-induced plasma for which the temperature far exceeds that of the surrounding hot gases within the furnace process tube. A shared limitation is that more efficient methods of nanoparticle synthesis are not readily incorporated into these approaches. In contrast, combustion can quite naturally create nanomaterials such as carbon black. Flame synthesis is well known for its commercial scalability and energy efficiency. However, flames do present a complex chemical environment with steep gradients in temperature and species concentrations. Moreover, reaction times are limited within buoyant driven flows to tens of milliseconds. Therein microgravity can greatly lessen temperature and spatial gradients while allowing independent control of flame residence times. In preparation for defining the microgravity experiments, the work presented here focuses on the effect of catalyst particle size and reactant gas in 1g.

VanderWal, R. L.↗
DOE OSTI2016

Dual nitrate isotopes clarify the role of biological processing and hydrologic flow paths on nitrogen cycling in subtropical low-gradient watersheds

Nitrogen (N) is an important nutrient as it often limits productivity but in excess can impair water quality. Most studies on watershed N cycling have occurred in upland forested catchments where snowmelt dominates N export; fewer studies have focused on low-relief watersheds that lack snow. We examined watershed N cycling in three adjacent, low-relief watersheds in the Upper Coastal Plain of the southeastern United States to better understand the role of hydrological flow paths and biological transformations of N at the watershed scale. Groundwater was the dominant source of nitrified N to stream water in two of the three watersheds, while atmospheric deposition comprised 28% of stream water nitrate in one watershed. The greater atmospheric contribution may have been due to the larger stream channel area relative to total watershed area or the dominance of shallow subsurface flow paths contributing to stream flow in this watershed. There was a positive relationship between temperature and stream water ammonium concentrations and a negative relationship between temperature and stream water nitrate concentrations in each watershed suggesting that N cycling processes (i.e., nitrification and denitrification) varied seasonally. However, there were no clear patterns in the importance of denitrification in different water pools possibly because a variety of factors (i.e., assimilatory uptake, dissimilatory uptake, and mixing) affected nitrate concentrations. In conclusion, together, these results highlight the hydrological and biological controls on N cycling in low-gradient watersheds and variability in N delivery flow paths among adjacent watersheds with similar physical characteristics.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1985

Latitudinal gradients of cosmic rays and the polarity reversal of the heliospheric magnetic field: A preliminary evaluation

Within the statistical limits imposed by the currently available data and the noise inherent in the determination of the latitudinal gradient, no evidence for the expected change in the latitudinal gradient from pre-1980 to post-1980 epochs can be found. In addition, the rigidity dependence of the gradient appears to be the same in the two epochs. Thus, no evidence is found for a sensitivity of the latitudinal gradient to the polarity of the largescale heliospheric magnetic field such as has been predicted by models incorporating particle drifts.

Newkirk, G., Jr.↗
DOE OSTI2018

Land surface model parameter optimisation using in situ flux data: comparison of gradient-based versus random search algorithms (a case study using ORCHIDEE v1.9.5.2)

Land surface models (LSMs), which form the land component of earth system models, rely on numerous processes for describing carbon, water and energy budgets, often associated with highly uncertain parameters. Data assimilation (DA) is a useful approach for optimising the most critical parameters in order to improve model accuracy and refine future climate predictions. In this study, we compare two different DA methods for optimising the parameters of seven plant functional types (PFTs) of the ORCHIDEE LSM using daily averaged eddy-covariance observations of net ecosystem exchange and latent heat flux at 78 sites across the globe. We perform a technical investigation of two classes of minimisation methods – local gradient-based (the L-BFGS-B algorithm, limited memory Broyden–Fletcher–Goldfarb–Shanno algorithm with bound constraints) and global random search (the genetic algorithm) – by evaluating their relative performance in terms of the model–data fit and the difference in retrieved parameter values. We examine the performance of each method for two cases: when optimising parameters at each site independently (“single-site” approach) and when simultaneously optimising the model at all sites for a given PFT using a common set of parameters (“multi-site” approach). We find that for the single site case the random search algorithm results in lower values of the cost function (i.e. lower model–data root mean square differences) than the gradient-based method; the difference between the two methods is smaller for the multi-site optimisation due to a smoothing of the cost function shape with a greater number of observations. The spread of the cost function, when performing the same tests with 16 random first-guess parameters, is much larger with the gradient-based method, due to the higher likelihood of being trapped in local minima. When using pseudo-observation tests, the genetic algorithm results in a closer approximation of the true posterior parameter value in the L-BFGS-B algorithm. We demonstrate the advantages and challenges of different DA techniques and provide some advice on using it for the LSM parameter optimisation.

58 GEOSCIENCES↗
DOE OSTI2025

Free-energy orbital-free density functional theory: recent developments, perspective, and outlook

By summarizing the constraint-based development of orbital-free free-energy density functional approximations, we provide a perspective on progress over the last 15 years, the limitations of existing functionals, and the challenges awaiting resolution. We outline the chronology of the development of noninteracting and exchange-correlation free-energy orbital-free functionals and summarize the theoretical basis of existing local density approximation, second-order approximation, generalized gradient approximation (GGA), and meta-GGAs. We discuss limitations and challenges such as problems with thermodynamic derivatives, free-energy nonadditivity and the closely related issue of all-electron versus valence-only local pseudo-potential performance.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2017

Unraveling submicron-scale mechanical heterogeneity by three-dimensional X-ray microdiffraction

Shear banding is a ubiquitous phenomenon of severe plastic deformation, and damage accumulation in shear bands often results in the catastrophic failure of a material. Despite extensive studies, the microscopic mechanisms of strain localization and deformation damage in shear bands remain elusive due to their spatial-temporal complexities embedded in bulk materials. Here we conducted synchrotron-based X-ray microdiffraction (μXRD) experiments to map out the 3D lattice strain field with a submicron resolution around fatigue shear bands in a stainless steel. Both in situ and postmortem μXRD results revealed large lattice strain gradients at intersections of the primary and secondary shear bands. Such strain gradients resulted in severe mechanical heterogeneities across the fatigue shear bands, leading to reduced fatigue limits in the high-cycle regime. The ability to spatially quantify the localized strain gradients with submicron resolution through μXRD opens opportunities for understanding the microscopic mechanisms of damage and failure in bulk materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Volumetric Additive Manufacturing of Gradient Composition Glass

Advanced optics, such as lasers or cameras, are currently limited by geometric or compositional restrictions on the silica glass components that act as focusing or refracting lenses. Currently, these glass components must be made of one homogenous material in a range of shapes and sizes limited by a few specialized vendors. However, additional flexibility and customization of these optical components could significantly improve the performance of these devices and expand the design space available to optics engineers, as would the capability to locally change the optical properties of these glass components by changing the composition of the glass as a function of location. To this end, we have developed a method to print and process gradient composition glass, using volumetric additive manufacturing (VAM) and direct ink writing (DIW), on-site at Lawrence Livermore National Lab.

36 MATERIALS SCIENCE↗
NASA NTRS1982

Flow structure in continuous flow electrophoresis chambers

There are at least two ways that hydrodynamic processes can limit continiuous flow electrophoresis. One arises from the sensitivity of the flow to small temerature gradients, especially at low flow rates and power levels. This sensitivity can be suppressed, at least in principle, by providing a carefully tailored, stabilizing temperature gradient in the cooling system that surrounds the flow channel. At higher power levels another limitation arises due to a restructuring of the main flow. This restructuring is caused by buoyancy, which is in turn affected by the electro-osmotic crossflow. Approximate solutions to appropriate partial differential equations have been computed by finite difference methods. One set of results is described here to illustrate the strong coupling between the structure of the main (axial) flow and the electro-osmotic flow.

Deiber, J. A.↗
DOE OSTI2013

Fluid simulations with atomistic resolution: a hybrid multiscale method with field-wise coupling

We present a new hybrid method for simulating dense fluid systems that exhibit multiscale behaviour, in particular, systems in which a Navier–Stokes model may not be valid in parts of the computational domain. We apply molecular dynamics as a local microscopic refinement for correcting the Navier–Stokes constitutive approximation in the bulk of the domain, as well as providing a direct measurement of velocity slip at bounding surfaces. Our hybrid approach differs from existing techniques, such as the heterogeneous multiscale method (HMM), in some fundamental respects. In our method, the individual molecular solvers, which provide information to the macro model, are not coupled with the continuum grid at nodes (i.e. point-wise coupling), instead coupling occurs over distributed heterogeneous fields (here referred to as field-wise coupling). This affords two major advantages. Whereas point-wise coupled HMM is limited to regions of flow that are highly scale-separated in all spatial directions (i.e. where the state of non-equilibrium in the fluid can be adequately described by a single strain tensor and temperature gradient vector), our field-wise coupled HMM has no such limitations and so can be applied to flows with arbitrarily-varying degrees of scale separation (e.g. flow from a large reservoir into a nano-channel). The second major advantage is that the position of molecular elements does not need to be collocated with nodes of the continuum grid, which means that the resolution of the microscopic correction can be adjusted independently of the resolution of the continuum model. This in turn means the computational cost and accuracy of the molecular correction can be independently controlled and optimised. The macroscopic constraints on the individual molecular solvers are artificial body-force distributions, used in conjunction with standard periodicity. We test our hybrid method on the Poiseuille flow problem for both Newtonian (Lennard-Jones) and non-Newtonian (FENE) fluids. The multiscale results are validated with expensive full-scale molecular dynamics simulations of the same case. Very close agreement is obtained for all cases, with as few as two micro elements required to accurately capture both the Newtonian and non-Newtonian flowfields. Our multiscale method converges very quickly (within 3–4 iterations) and is an order of magnitude more computationally efficient than the full-scale simulation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Inter-ELM pedestal evolution and the role of edge fluctuations in the C-Mod and DIII-D tokamaks

Edge localized modes (ELMs) lead to a cyclical behaviour of the H-mode pedestal density, temperature and pressure. Substantial evidence exists associating the ELM crash with violation of ideal MHD stability, via current driven kink/peeling modes and/or pressure gradient driven ballooning modes. Recovery from ELM crashes and buildup to the next ELM crash is an active and critical area of edge physics research for ITER projections. In one set of theories, the pedestal pressure profile in H-mode discharges is predicted to be limited by micro-instabilities. One such micro-instability is the kinetic ballooning mode (KBM), which is hypothesized to provide a ‘soft’ limit that regulates the edge transport, thereby restricting the local pressure gradient. In this picture, e.g. in the EPED model, the pedestal width expands slowly until the ideal MHD stability limit is reached. Experiments were recently performed on the C-Mod and DIII-D devices to search for instabilities correlated with the pedestal evolution between ELMs. The results show correlations between the onset of quasi-coherent fluctuations between type I ELMs and a critical temperature gradient. Linear gyrokinetic calculations have shown that these fluctuations have characteristics similar to those expected for KBMs. These results provide additional data toward validation of the EPED model, increasing confidence in ITER projections.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Gyrokinetic theory of slab universal modes and the non-existence of the gradient drift coupling (GDC) instability

A gyrokinetic linear stability analysis of a collisionless slab geometry in the local approximation is introduced. We focus on k ∥ =0 universal (or entropy) modes driven by plasma gradients at small and large plasma β. These are small scale non-MHD instabilities with growth rates that typically peak near k ⊥ ρi~1 and vanish in the long wavelength k ⊥ →0 limit. This report also discusses a mode known as the Gradient Drift Coupling (GDC) instability previously reported in the gyrokinetic literature, which has a finite growth rate γ= $\sqrt{β/[2(1+β)]C_{s}/|L_{p}|}$ with C$^{2}_{s}$ =p 0 /ρ 0 for k ⊥ →0 and is universally unstable for 1/L p ≠0. Here, we show that the GDC instability is a spurious, unphysical artifact that erroneously arises due to the failure to respect the total equilibrium pressure balance p 0 +B$^{2}_{0}$ /(8π)=constant, which renders the assumption B$^{\prime}_{0}$ 0 =0 inconsistent if p$^{\prime}_{0}$ ≠0.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Time-resolved dosimetry using a pinpoint ionization chamber as quality assurance for IMRT and VMAT

Purpose: To develop a method to verify the dose delivery in relation to the individual control points of intensity modulated radiotherapy (IMRT) and volumetric modulated arc therapy (VMAT) using an ionization chamber. In addition to more effective problem solving during patient-specific quality assurance (QA), the aim is to eventually map out the limitations in the treatment chain and enable a targeted improvement of the treatment technique in an efficient way. Methods: Pretreatment verification was carried out for 255 treatment plans that included a broad range of treatment indications in two departments using the equipment of different vendors. In-house developed software was used to enable calculation of the dose delivery for the individual beamlets in the treatment planning system (TPS), for data acquisition, and for analysis of the data. The observed deviations were related to various delivery and measurement parameters such as gantry angle, field size, and the position of the detector with respect to the field edge to distinguish between error sources. Results: The average deviation of the integral fraction dose during pretreatment verification of the planning target volume dose was −2.1% ± 2.2% (1 SD), −1.7% ± 1.7% (1 SD), and 0.0% ± 1.3% (1 SD) for IMRT at the Radboud University Medical Center (RUMC), VMAT (RUMC), and VMAT at the Wellington Blood and Cancer Centre, respectively. Verification of the dose to organs at risk gave very similar results but was generally subject to a larger measurement uncertainty due to the position of the detector at a high dose gradient. The observed deviations could be related to limitations of the TPS beam models, attenuation of the treatment couch, as well as measurement errors. The apparent systematic error of about −2% in the average deviation of the integral fraction dose in the RUMC results could be explained by the limitations of the TPS beam model in the calculation of the beam penumbra. Conclusions: This study showed that time-resolved dosimetry using an ionization chamber is feasible and can be largely automated which limits the required additional time compared to integrated dose measurements. It provides a unique QA method which enables identification and quantification of the contribution of various error sources during IMRT and VMAT delivery.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Large deviations in stochastic heat-conduction processes provide a gradient-flow structure for heat conduction

We consider three one-dimensional continuous-time Markov processes on a lattice, each of which models the conduction of heat: the family of Brownian Energy Processes with parameter m (BEP(m)), a Generalized Brownian Energy Process, and the Kipnis-Marchioro-Presutti (KMP) process. The hydrodynamic limit of each of these three processes is a parabolic equation, the linear heat equation in the case of the BEP(m) and the KMP, and a nonlinear heat equation for the Generalized Brownian Energy Process with parameter a (GBEP(a)). We prove the hydrodynamic limit rigorously for the BEP(m), and give a formal derivation for the GBEP(a). We then formally derive the pathwise large-deviation rate functional for the empirical measure of the three processes. These rate functionals imply gradient-flow structures for the limiting linear and nonlinear heat equations. We contrast these gradient-flow structures with those for processes describing the diffusion of mass, most importantly the class of Wasserstein gradient-flow systems. The linear and nonlinear heat-equation gradient-flow structures are each driven by entropy terms of the form -log ρ; they involve dissipation or mobility terms of order ρ² for the linear heat equation, and a nonlinear function of ρ for the nonlinear heat equation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

FSISPH: An SPH formulation for impacts between dissimilar materials

Here, we present an SPH formulation with several new features designed to better model the fully-compressible interaction of dissimilar materials. We developed the new method to simulate the atmospheric entry and break-up of small celestial bodies in planetary atmospheres. The formulation uses a unity-based, density-energy discretization of the hydrodynamic conservation laws with linear-corrected kernel gradients. To account for variations in compressibility, we use an HLLC approximate Riemann solver to adjust the velocity gradient at material interfaces. To handle large transverse velocity discontinuities, we introduce a simple slip interface model that limits the artificial viscosity at material interfaces. Diffusion is optionally applied through the velocity gradient and this allows the density and specific thermal energy to evolve in a manner more consistent with the first law of thermodynamics in comparison to other more direct diffusion schemes. We also introduce a material-local second-order artificial conduction scheme used to smooth the specific thermal energy field. Material damage fits neatly under this framework by treating the damage front as a material interface. The method has been implemented as a solver, FSISPH, within the code, Spheral++, and is publicly available on github. We test our new solver on a number of classic shock, mixing, and multi-material problem. The components we outline can significantly improve accuracy of SPH for problems with sharp contact discontinuities.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1976

Stellar occultation spikes as probes of atmospheric structure and composition

The characteristics of spikes observed in occultation light curves of Beta Scorpii by Jupiter are discussed in terms of the gravity-gradient model. The occultation of Beta Sco by Jupiter on May 13, 1971, is reviewed, and the gravity-gradient model is defined as an isothermal atmosphere of constant composition in which the refractivity is a function only of the radial coordinate from the center of refraction, which is assumed to lie parallel to the local gravity gradient. The derivation of the occultation light curve in terms of the atmosphere, the angular diameter of the occulted star, and the occultation geometry is outlined. It is shown that analysis of the light-curve spikes can yield the He/H2 concentration ratio in a well-mixed atmosphere, information on fine-scale atmospheric structure, high-resolution images of the occulted star, and information on ray crossing. Observational limits are placed on the magnitude of horizontal refractivity gradients, and it is concluded that the spikes are the result of local atmospheric density variations: atmospheric layers, density waves, or turbulence.

Elliot, J. L.↗