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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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116 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Ice rule breakdown and frustrated antiferrotoroidicity in an artificial colloidal Cairo ice

Abstract We combine experiments and numerical simulations to investigate the low energy states and the emergence of topological defects in an artificial colloidal ice in the Cairo geometry. This type of geometry is characterized by a mixed coordination ( z ), with coexistence of both z = 3 and z = 4 vertices. We realize this particle ice by confining field tunable paramagnetic colloidal particles within a lattice of topographic double wells at a one to one filling using optical tweezers. By raising the interaction strength via an applied magnetic field, we find that the ice rule breaks down, and positive monopoles with charge q = + 2 accumulate in the z = 4 vertices and are screened by negative ones ( q = − 1 ) in the z = 3. The resulting, strongly coupled state remains disordered. Further, via analysis of the mean chirality associated to each pentagonal plaquette, we find that the disordered ensemble for this geometry is massively degenerate and it corresponds to a frustrated antiferrotoroid.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Staircase resiliency in a fluctuating cellular array

Inhomogeneous mixing by stationary convective cells set in a fixed array is a particularly simple route to layering. Layered profile structures, or staircases, have been observed in many systems, including drift-wave turbulence in magnetic confinement devices. The simplest type of staircase occurs in passive-scalar advection, due to the existence and interplay of two disparate timescales, the cell turn-over (τ H ), and the cell diffusion (τ D ) time. In this simple system, we study the resiliency of the staircase structure in the presence of global transverse shear and weak vortex scattering. The fixed cellular array is then generalized to a fluctuating vortex array in a series of numerical experiments. The focus is on regimes of low-modest effective Reynolds numbers, as found in magnetic fusion devices. By systematically perturbing the elements of the vortex array, we learn that staircases form and are resilient (although steps become less regular, due to cell mergers) over a broad range of Reynolds numbers. The criteria for resiliency are (a) τ D >>τ H and (b) a sufficiently high profile curvature (κ ≥ 1.5). We learn that scalar concentration travels along regions of shear, thus staircase barriers form first, and scalar concentration "homogenizes" in vortices later. The scattering of vortices induces a lower effective speed of scalar concentration front propagation. The paths are those of the least time. We observe that if background diffusion is kept fixed, the cell geometric properties can be used to derive an approximation for the effective diffusivity of the scalar. Furthermore, the effective diffusivity of the fluctuating vortex array does not deviate significantly from that of the fixed cellular array.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Influence of Terminal Carboxyl Groups on the Structure and Reactivity of Functionalized m-Carboranethiolate Self-Assembled Monolayers

The structure and function of self-assembled monolayers (SAMs) at the nanoscale are determined by the steric and electronic effects of their building blocks. Carboranethiol molecules form pristine monolayers that provide tunable two-dimensional systems to probe lateral and interfacial interactions. Additional ω-functionality, such as carboxyl groups, can be introduced to change the properties of the exposed surfaces. Here, two geometrically similar isomeric m-carborane analogues of m-mercaptobenzoic acid, 1-COOH-7-SH-1,7-C 2 B 10 H 10 and racem-1-COOH-9-SH-1,7-C 2 B 10 H 10 , are characterized and their SAMs on Au{111} are examined. The latter isomer belongs to the rare group of chiral cage molecules and becomes, to our knowledge, the first example assembled on Au{111}. Although different in symmetry, molecules of both isomers assemble into similar hexagonal surface patterns. The nearest-neighbor spacing of 8.4 ± 0.4 Å is larger than that of non-carboxylated isomers, consistent with the increased steric demands of the carboxyl groups. Computational modeling reproduced this spacing and suggests a tilt relative to the surface normal. However, tilt domains are not observed experimentally, suggesting the presence of strong lateral interactions. Analyses of the influence of the functional groups through the pseudo-aromatic m-carborane skeleton showed that the thiol group attached to either carbon or boron atoms increases the carboxyl group acidity in solution. In contrast, the acidity of the exposed carboxyl group in the SAMs decreases upon surface attachment; computational analyses suggest that the driving force of this shift is the dielectric of the environment in the monolayer as a result of confined intermolecular interactions, proximity to the Au surface, and partial desolvation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Quantification of Changes in Fill Tube Curvature During Target Assembly

National Ignition Facility (NIF) targets used for inertial confinement fusion (ICF) experiments are precision-engineered assemblies composed of more than 100 components carefully and precisely assembled with accuracies no larger than a few micrometers in most cases. When individual components deviate from these strict specifications during the assembly process, they can induce target failure. An integral component essential to ICF targets is the capsule-fill-tube assembly. This assembly involves bonding the capsule to a fused silica tube less than 5 μm in thickness, through which the tritium and deuterium (T 2 + D 2 ) fuel mixture is injected into the capsule prior to the NIF shot. The filling tube is bonded to a larger fused silica capillary, about 130 μm in outer diameter, which is coated with a polymeric layer on the order of a 10-μm thickness or less. Only tubes exhibiting a deflection equivalent to less than 1% of their total length from a perfectly straight line are suitable for assembly. Slight curvatures on the order of 1 mm over 10 cm can induce unwanted stresses, potentially causing capsule misalignment and resulting in clogging or leaks during the filling process. Despite manually qualitatively sorting each tube for straightness prior assembly, it has been found that the treatments the tubes undergo once attached to the capsule can alter their curvature. Filling tubes that initially satisfy straightness tolerances can undergo geometric deformation, resulting in curvature deviations exceeding 1% of their total length and thus failing to meet target assembly requirements. Here, in this study, we propose a metric to assess the degree of curvature of the filling tubes and to gauge their changes in curvature caused by the standard thermal processing methods employed in target assembly. In addition, we suggest alternatives to mitigate tube curvature, ensuring they conform to specifications following assembly in the final targets.

Materials science↗
DOE OSTI2025

How does ion temperature gradient turbulence depend on magnetic geometry? Insights from data and machine learning

Magnetic geometry has a significant effect on the level of turbulent transport in fusion plasmas. Here, we model and analyse this dependence using multiple machine learning methods and a dataset of >200 000 nonlinear gyrokinetic simulations of ion-temperature-gradient turbulence in diverse non-axisymmetric geometries. The dataset is generated using a large collection of both optimised and randomly generated stellarator equilibria. At fixed gradients and other input parameters, the turbulent heat flux varies between geometries by several orders of magnitude. Trends are apparent among the configurations with particularly high or particularly low heat flux. Regression and classification techniques from machine learning are then applied to extract patterns in the dataset. Due to a symmetry of the gyrokinetic equation, the heat flux and regressions thereof should be invariant to translations of the raw features in the parallel coordinate, similar to translation invariance in computer vision applications. Multiple regression models including convolutional neural networks (CNNs) and decision trees can achieve reasonable predictive power for the heat flux in held-out test configurations, with highest accuracy for the CNNs. Using Spearman correlation, sequential feature selection and Shapley values to measure feature importance, it is consistently found that the most important geometric lever on the heat flux is the flux surface compression in regions of bad curvature. The second most important geometric feature relates to the magnitude of geodesic curvature. These two features align remarkably with surrogates that have been proposed based on theory, while the methods here allow a natural extension to more features for increased accuracy. The dataset, released with this publication, may also be used to test other proposed surrogates, and we find that many previously published proxies do correlate well with both the heat flux and stability boundary.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Difference in neoclassical edge flows between strongly negative and positive triangularities in the XGC gyrokinetic simulation

The neoclassical baseline study of a strongly negative triangularity (NT) plasma and the corresponding positive triangularity (PT) plasma is performed using the edge-specialized, total-f gyrokinetic code (X-point Gyrokinetic Code, XGC). A DIII-D-like plasma is used, based on the negative triangularity discharge of DIII-D #193 793. An artificial positive triangularity (PT) equilibrium has been constructed to compare the edge rotation physics at the same triangularity strength but with opposite sign, while keeping the same elongation and other geometric parameters. Carbon(6+) ions are added to the deuterium plasma at an experimentally relevant level. By using the experimental profile of carbon toroidal rotation profile as an input, XGC finds that the deuteron rotation is significantly different from the carbon rotation at the inboard and outboard midplanes, mostly caused by the difference in the Pfirsch–Schlüter rotation. More importantly, a significant difference in the X-point orbit loss physics, thus the rotation source, is found between the positive and negative triangularity equilibrium models. However, it is also found that the agreement between the present neoclassical simulation and the experimental NT data is validated only within the middle of the pedestal slope, indicating the importance of edge turbulence. Finally, this study could establish a baseline for the multiphysics, multiscale studies that include turbulence of negative triangularity plasmas.

Deuterium↗
DOE OSTI2021

Estimating the color lifetime of energetic quarks

Using a simple geometric framework with a realistic nuclear density distribution, we fit published HERMES data to determine fundamental properties of hadronization using the nuclear medium as a spatial analyzer. Our approach uses a fit to the transverse momentum broadening observable and the hadronic multiplicity ratio; the simultaneous fit to two different observables strongly constrains the outcome. Using the known sizes of the target nuclei, we extract the color lifetime, finding a z h -dependent range of values from 2 to 8 fm/c for these data. We also extract estimates for the qˆ transport coefficient characterizing the strength of the interaction between the quark and the cold nuclear medium, finding an average value of 0.035±0.011 GeV 2 /fm. With a three-parameter model we obtain satisfactory fits to the data with a goodness-of-fit parameter χ 2 /dof of 1.1 or less. In a secondary fit of the results from that model we independently find a value for the Lund String Model string tension of 1.00±0.05 GeV/fm. We evaluated the sensitivity for extracting quark energy loss and effective in-medium hadronic cross sections using four-parameter variants of the model, finding large uncertainties in both cases. Our results suggest that hadronic interaction of forming hadrons in the nuclear medium is the primary dynamical cause of meson attenuation in the HERMES data, with quark energy loss playing a more minor role.

Electron-ion collider↗
DOE OSTI2022

Entropic order parameters in weakly coupled gauge theories

The entropic order parameters measure in a universal geometric way the statistics of non-local operators responsible for generalized symmetries. In this article, we compute entropic order parameters in weakly coupled gauge theories. To perform this computation, the natural route of evaluating expectation values of physical (smeared) non-local operators is prevented by known difficulties in constructing suitable smeared Wilson loops. We circumvent this problem by studying the smeared non-local class operators in the enlarged non-gauge invariant Hilbert space. This provides a generic approach for smeared operators in gauge theories and explicit formulas at weak coupling. In this approach, the Wilson and ’t Hooft loops are labeled by the full weight and co-weight lattices respectively. We study generic Lie groups and discuss couplings with matter fields. Smeared magnetic operators, as opposed to the usual infinitely thin ones, have expectation values that approach one at weak coupling. The corresponding entropic order parameter saturates to its maximum topological value, except for an exponentially small correction, which we compute. On the other hand, smeared ’t Hooft loops and their entropic disorder parameter are exponentially small. We verify that both behaviors match the certainty relation for the relative entropies. In particular, we find upper and lower bounds (that differ by a factor of 2) for the exact coefficient of the linear perimeter law for thin loops at weak coupling. This coefficient is unphysical/non-universal for line operators. We end with some comments regarding the RG flows of entropic parameters through perturbative beta functions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗