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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 361 records · Page 20

On the length scale and rate-dependent mechanical behavior of monolithic (oxy)sulfidic glassy solid-state electrolytes

In the controlled atmosphere of a dedicated glove box, nanoindentation performed with a diamond Berkovich indenter tip has been used to examine the mechanical behavior of three (oxy)sulfide solid-state electrolytes (SSEs), 70Li 2 S·(30–x)P 2 S 5 ·xP 2 O 5 (x = 0, 2, and 5). At a drive frequency of 120 Hz, the elastic modulus is found to be predominantly depth independent over the range of 100 nm to 1 μm and generally insensitive to the varying mol fraction of oxygen (0, 2, and 5%) as well as the imposed strain rates of 0.025, 0.05, and 0.1 1/s. All three SSEs exhibit significant room-temperature creep. Strain burst activity observed during loading (potentially representative of pore collapse or cracking) is attenuated with the addition of oxygen. The hardness is found to be insensitive to the imposed strain rates but varying with depth and oxygen content. Furthermore, the highest oxygen concentration yields the lowest hardness and strongest depth dependence.

36 MATERIALS SCIENCE↗

Systematic multi-machine analysis of the exhaust time-dependent behavior in tokamaks

The understanding of the time-scales and associated transient behavior of fusion exhaust plasmas plays a crucial role in its dynamic modeling and its control. This work presents an overview of experimental investigations of the exhaust dynamics in TCV, MAST-U, ASDEX-Upgrade, WEST, DIII-D, and JET. From the presented experiments, a clear picture arises on properties of the exhaust dynamics across machines. Particularly, we observe that the scrape-off layer equilibrates on fast time-scales ($>$ 70 Hz) and that exhaust dynamics measured in response to gas valve modulations mostly behave smoothly and linearly, with similarities across devices, across scenarios (H-mode, L-mode), injected species, and injection locations. The measurements presented have formed the basis for systematic exhaust control on the considered devices. We now present this database for the essential validation of dynamic exhaust models for reactor design and control.

control↗

Eddy diffusivity operator in homogeneous isotropic turbulence

Here, we use the recently developed macroscopic forcing method to compute the scale-dependent eddy diffusivity characterizing ensemble-averaged scalar and momentum transport in incompressible homogeneous isotropic turbulence. For scales larger than the energy containing eddies, eddy diffusivity is found to be constant and consistent with the Boussinesq approximation. However, for small scales eddy diffusivity is found to vanish inversely proportional to the wave number. Behavior at all scales is reasonably captured by a nonlocal eddy diffusivity operator modeled as D/$\sqrt{I - l^2∇^2}$, where D is the eddy diffusivity in the Boussinesq limit, and l is a constant on the order of the large-eddy length. These results present a direct measurement of eddy diffusivity in turbulence with implications in turbulence modeling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Dynamical Scaling as a Signature of Multiple Phase Competition in Yb 2⁢ Ti 2 ⁢O 7

Yb 2 ⁢Ti 2 ⁢O 7 is a celebrated example of a pyrochlore magnet with highly frustrated, anisotropic exchange interactions. To date, attention has largely focused on its unusual, static properties, many of which can be understood as coming from the competition between different types of magnetic order. Here, in this work, we use inelastic neutron scattering with exceptionally high energy resolution to explore the dynamical properties of Yb 2 ⁢Ti 2 ⁢O 7 . We find that spin correlations exhibit dynamical scaling, analogous to behavior found near to a quantum critical point. We show that the observed scaling collapse can be explained within a phenomenological theory of multiple-phase competition, and confirm that a scaling collapse is also seen in semiclassical simulations of a microscopic model of Yb 2 ⁢Ti 2 ⁢O 7 . These results suggest that dynamical scaling may be general to systems with competing ground states.

74 ATOMIC AND MOLECULAR PHYSICS↗

BrainXcan identifies brain features associated with behavioral and psychiatric traits using large-scale genetic and imaging data

Advances in brain MRI have enabled many discoveries in neuroscience. Case-control comparisons of brain MRI features have highlighted potential causes of psychiatric and behavioral disorders. However, due to the cost and difficulty of collecting MRI data, most studies have small sample sizes, limiting their reliability. Furthermore, reverse causality complicates interpretation because many observed brain differences are the result rather than the cause of the disease. Here we propose a method (BrainXcan) that leverages the power of large-scale genomewide association studies (GWAS) and reference brain MRI data to discover new mechanisms of disease etiology and validate existing ones. BrainXcan tests the association with genetic predictors of brain MRI-derived features and complex traits to pinpoint relevant brain-wide and region-specific features. Requiring only genetic data, BrainXcan allows us to test a host of hypotheses on mental illness, across many MRI modalities, using public data resources. For example, our method shows that reduced axonal density across the brain is associated with schizophrenia risk, consistent with the disconnectivity hypothesis. We also find that the hippocampus volume is associated with schizophrenia risk, highlighting the potential of our approach. Taken together, our results show the promise of BrainXcan to provide insights into the biology of GWAS traits.

Association study↗

A test of Lee's quasi-linear theory of ion acceleration by interplanetary traveling shocks

Lee's (1983) quasi-linear theory of ion acceleration is tested using ISEE-3 measurements of the November 12, 1978 quasi-parallel interplanetary shock. His theory accounts with varying degrees of precision for the energetic proton spatial profiles; the dependence of the spectral index of the power law proton velocity distribution upon the shock compression ratio; the power law dependence of the upstream proton scalelength upon energy; the absolute magnitude of the upstream proton scale length; the behavior of the energetic proton anisotropy upstream and downstream of the shock; the behavior of the alpha-particle proton ratio upstream; the equality of the spatial scale lengths at the shock of the upstream waves and of the protons that resonate with them; and the dependence of the integrated wave energy density upon the proton energy density at the shock. However, the trace magnetic field frequency spectra disagree with his theory in two ways. The part of the spectrum that can resonate with the observed protons via first-order cyclotron resonance is flat, whereas Lee's theory predicts an f exp - 7/4 frequency dependence for the November 12 shock. Higher frequency waves, which could not resonate with the observed upstream protons, increased in amplitude as the shock approached, suggesting that they too were generated by the shock.

Kennel, C. F.↗

Grain2Mesh: Mesh Generation for Grain-Scale Nonlinear Elasticity Modeling

The nonlinear hysteretic behavior of rocks under cyclic loading is a crucial area of study in geomechanics. The macroscopic response of a variety of materials has been found to be contingent upon the behavior of the micro-scale structure. This project aims to develop a functional and maintainable software package for generating a multi-phase numerical mesh and accompanying simulation files for finite element modeling used in computational mechanics solvers. Meshes generated from images often lack key preprocessing that reduces noise and prevents mesh element distortion that can increase computational cost. By incorporating user feedback throughout, grain2mesh ensures a high-fidelity mesh that can be used to model grain-scale interactions such as shearing, crack propagation, and interfacial material contrast. Scientific applications of this software include material fracturing, stress-strain analysis for natural and engineered materials, and nonlinear meso-scale analysis.

54 ENVIRONMENTAL SCIENCES↗

Scale–Bridging in Three–Dimensional Fracture Networks: Characterizing the Effects of Variable Fracture Apertures on Network–Scale Flow Channelization

Here, we incorporate observations of real fracture aperture variability observed in laboratory experiments into an ensemble of three-dimensional discrete fracture network (DFN) simulations to characterize how variations of this micro-scale feature can influence flow and transport behavior at the network scale. A shear fracture is created within a Marcellus shale sample, and the fracture aperture is measured using a triaxial direct-shear device coupled with real-time X-ray imaging at in-situ stress conditions. We construct an ensemble of fracture networks based on natural fractures in Marcellus shale and project regions of the experimental aperture field onto each fracture in the networks. Our calculations demonstrate that the degree of flow channelization, a network-scale flow field structure, is dramatically increased by local changes in the aperture field that in turn affects flow and transport properties.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Electroresponse of weak polyelectrolyte brushes

Abstract End-tethered polyelectrolytes are widely used to modify substrate properties, particularly for lubrication or wetting. External stimuli, such as pH, salt concentration, or an electric field, can induce profound structural responses in weak polyelectrolyte brushes, which can be utilized to further tune substrate properties. We study the structure and electroresponsiveness of weak polyacid brushes using an inhomogeneous theory that incorporates both electrostatic and chain connectivity correlations at the Debye–Hückel level. Our calculation shows that a weak polyacid brush swells under the application of a negative applied potential, in agreement with recent experimental observation. We rationalize this behavior using a scaling argument that accounts for the effect of the surface charge. We also show that the swelling behavior has a direct influence on the differential capacitance, which can be modulated by the solvent quality, pH, and salt concentration. Graphical Abstract

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Long-Range Dispersion Governs the Behavior of Near-Critical Fluids: Universal Scaling and Implications for Accurate Molecular Simulation

Computer simulations of near-critical and supercritical fluids often deviate from experimental results, a discrepancy commonly attributed to force-field resolutions and inaccuracies. We demonstrate that these errors primarily stem from using finite cutoff schemes for dispersion interactions, which become effectively long-range as the correlation length grows near the critical point. By employing the smooth particle-mesh Ewald method to account for full long-range dispersion, we show that coarse-grained models can also achieve high quantitative accuracy for n-undecane and propylbenzene. This approach enables the precise determination of density fluctuations and correlation lengths, which exhibit universal critical scaling and depend on the molecular size and shape. Our findings resolve a longstanding debate in molecular simulations of near-critical fluids, establishing that capturing long-wavelength fluctuations is essential for bridging the gap between the microscopic behavior and macroscopic critical phenomena.

Chen, Guang↗

Self-regulating behavior of hybrid membrane systems as demonstrated in an element-scale forward osmosis-reverse osmosis hybrid system

Hybrid membrane systems can be difficult to design due to the requisite flow rate matching between up- and downstream unit operations. In this work, we use a forward osmosis-reverse osmosis (FO-RO) hybrid system to demonstrate how some membrane systems can exhibit self-regulating behavior due to osmotic coupling. This can reduce the need for complex control systems for flow balancing. We show this behavior using a module-scale test bed that can mimic the behavior of larger scale operations. The system shows permeate flow rate near-convergence between the FO and RO modules after startup or when perturbed by a change in RO module pressure. The behavior of this hybrid system demonstrates that some membrane operations can exploit osmotic interdependence, rather than expensive control systems, to achieve steady state operation.

Debottlenecking↗

Atomic-scale homogeneous plastic flow beyond near-theoretical yield stress in a metallic glass

Abstract The onset of yielding and the related atomic-scale plastic flow behavior of bulk metallic glasses at room temperature have not been fully understood due to the difficulty in performing the atomic-scale plastic deformation experiments needed to gain direct insight into the underlying fundamental deformation mechanisms. Here we overcome these limitations by combining a unique sample preparation method with atomic force microscopy-based indentation, which allows study of the yield stress, onset of yielding, and atomic-scale plastic flow of a platinum-based bulk metallic glass in volumes containing as little as approximately 1000 atoms. Yield stresses markedly higher than in conventional nanoindentation testing were observed, surpassing predictions from current models that relate yield stress to tested volumes; subsequent flow was then established to be homogeneous without exhibiting collective shear localization or loading rate dependence. Overall, variations in glass properties due to fluctuations of free volume are found to be much smaller than previously suggested.

Yu, Jiaxin↗

Challenges in Scaling Analysis from Coupons to Elements in 3D Woven Composites for a Launch Vehicle End-Ring Structure

The limitations of structural design with 3D woven composites based on homogenized material models characterized using coupon test data, representative unit cell analysis, or a combination of the two are discussed in the context of a space launch system (SLS)-scale end ring. Selected building block test configurations at the coupon, element, and subcomponent scales are described in detail. Highly instrumented tests and X-ray computed tomography inspections are used to characterize the structural behavior and associated damage progression with increasing load. It is shown that a single homogenized material constitutive relationship, applied at coupon and element scale, is not sufficient to model the structural response observed in both tests. In fact, substantially different stress-strain laws are required to predict the response of the coupon and element scale specimens, despite similar loading conditions. A model with discrete representation of the binder tows and cohesive interfaces to model matrix cracking shows much better agreement with the test data at the two length scales. Thus, evidence is provided showing that predictive structural analysis of 3D woven composites requires discrete representation of the tows, matrix cracking morphology, and their interactions in the structural configuration. With accurate knowledge of the element scale behavior, engineering approximations readily enable analysis scale-up to the subcomponent level.

Andrew C Bergan↗

The Challenges of Modeling Defect Behavior and Plasticity across Spatial and Temporal Scales: A Case Study of Metal Bilayer Impact

Atomistic molecular dynamics (MD) and a microstructural dislocation density-based crystalline plasticity (DCP) framework were used together across time scales varying from picoseconds to nanoseconds and length scales spanning from angstroms to micrometers to model a buried copper–nickel interface subjected to high strain rates. The nucleation and evolution of defects, such as dislocations and stacking faults, as well as large inelastic strain accumulations and wave-induced stress reflections were physically represented in both approaches. Both methods showed similar qualitative behavior, such as defects originating along the impactor edges, a dominance of Shockley partial dislocations, and non-continuous dislocation distributions across the buried interface. The favorable comparison between methods justifies assumptions used in both, to model phenomena, such as the nucleation and interactions of single defects and partials with reflected tensile waves, based on MD predictions, which are consistent with the evolution of perfect and partial dislocation densities as predicted by DCP. This substantiates how the nanoscale as modeled by MD is representative of microstructural behavior as modeled by DCP.

36 MATERIALS SCIENCE↗

Composite fuselage shell structures research at NASA Langley Research Center

Fuselage structures for transport aircraft represent a significant percentage of both the weight and the cost of these aircraft primary structures. Composite materials offer the potential for reducing both the weight and the cost of transport fuselage structures, but only limited studies of the response and failure of composite fuselage structures have been conducted for transport aircraft. The behavior of these important primary structures must be understood, and the structural mechanics methodology for analyzing and designing these complex stiffened shell structures must be validated in the laboratory. The effects of local gradients and discontinuities on fuselage shell behavior and the effects of local damage on pressure containment must be thoroughly understood before composite fuselage structures can be used for commercial aircraft. This paper describes the research being conducted and planned at NASA LaRC to help understand the critical behavior or composite fuselage structures and to validate the structural mechanics methodology being developed for stiffened composite fuselage shell structure subjected to combined internal pressure and mechanical loads. Stiffened shell and curved stiffened panel designs are currently being developed and analyzed, and these designs will be fabricated and then tested at Langley to study critical fuselage shell behavior and to validate structural analysis and design methodology. The research includes studies of the effects of combined internal pressure and mechanical loads on nonlinear stiffened panel and shell behavior, the effects of cutouts and other gradient-producing discontinuities on composite shell response, and the effects of local damage on pressure containment and residual strength. Scaling laws are being developed that relate full-scale and subscale behavior of composite fuselage shells. Failure mechanisms are being identified and advanced designs will be developed based on what is learned from early results from the LaRC research activities. Results from combined load tests will be used to validate analytical models of critical nonlinear response mechanisms as well as shell scaling laws.

Starnes, James H., Jr.↗

Scale translation yields insights into gas adsorption under nanoconfinement

This work describes a scale-translating simulation framework to investigate gas adsorption behavior in nanoconfined pores. The framework combines molecular simulations (MSs), equation of state (EoS), and lattice Boltzmann (LB) simulations. MSs reveal the physics of methane adsorption in nano-sized pores, where input values of fugacity coefficients are optimized based on EoS predictions. Then, an LB free-energy model, which incorporates a viral EoS, upscales intermolecular forces and estimates adsorption behavior via a proposed fluid–wall interaction model. Armed with the values of the LB interaction parameter as a function of pressure, the LB model is used to predict fluid behavior in irregular nanopores, and the results are validated against reference MS data. The LB model is then used to study adsorption behavior at a continuum scale in representative organic shale nanopores based on finely characterized Vaca Muerta shale samples. Furthermore, the results show that methane adsorption could significantly increase contained fluids by 10%–25% in pores smaller than 20 nm. However, in larger pores (40 nm to 90 nm), adsorption's impact diminishes to 2%–3%, suggesting sorption's negligible role beyond a 40 nm pore size.

74 ATOMIC AND MOLECULAR PHYSICS↗

A Survey of Collectives

Due to the increasing sophistication and miniaturization of computational components, complex, distributed systems of interacting agents are becoming ubiquitous. Such systems, where each agent aims to optimize its own performance, but where there is a well-defined set of system-level performance criteria, are called collectives. The fundamental problem in analyzing/designing such systems is in determining how the combined actions of self-interested agents leads to 'coordinated' behavior on a iarge scale. Examples of artificial systems which exhibit such behavior include packet routing across a data network, control of an array of communication satellites, coordination of multiple deployables, and dynamic job scheduling across a distributed computer grid. Examples of natural systems include ecosystems, economies, and the organelles within a living cell. No current scientific discipline provides a thorough understanding of the relation between the structure of collectives and how well they meet their overall performance criteria. Although still very young, research on collectives has resulted in successes both in understanding and designing such systems. It is eqected that as it matures and draws upon other disciplines related to collectives, this field will greatly expand the range of computationally addressable tasks. Moreover, in addition to drawing on them, such a fully developed field of collective intelligence may provide insight into already established scientific fields, such as mechanism design, economics, game theory, and population biology. This chapter provides a survey to the emerging science of collectives.

Tumer, Kagan↗

Predicting Compliance in an Epidemiological Model: Constructs from Psychological Theory and Research

Vaccination and the alternative behavior, vaccine refusal, are a classic example of manifesting behaviors driven by social norms and norm violations. Establishing how norms emerge, and under what circumstances people choose to violate them are key issues to understand in modeling epidemics. Interactions between individuals can lead to large-scale patterning of behavior (emergent phenomena). As norm violations are revealed through human behavior, drawing on psychological theory and principles to predict those violations is a viable approach for more human-constrained epidemiological models. As an example of the implications at scale, vaccine refusal is correlated with the spread of mis/disinformation about vaccine side-effects. Considering the complexities of network dynamics, the downstream effects means that if even a small group within a population are persuaded against vaccination, there is a reservoir from which disease and disease outbreaks can propagate. This work will attempt to identify those psychological indicators, to define circumstances that predict health behaviors, and identify potentially modifiable antecedents of health behavior, and factors that influence changes toward health protective behaviors.

59 BASIC BIOLOGICAL SCIENCES↗