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At least 1,423 records · Page 79

Filtering higher-order datasets

Many complex systems often contain interactions between more than two nodes, known as higher-order interactions, which can change the structure of these systems in significant ways. Researchers often assume that all interactions paint a consistent picture of a higher-order dataset's structure. In contrast, the connection patterns of individuals or entities in empirical systems are often stratified by interaction size. Ignoring this fact can aggregate connection patterns that exist only at certain scales of interaction. To isolate these scale-dependent patterns, we present an approach for analyzing higher-order datasets by filtering interactions by their size. We apply this framework to several empirical datasets from three domains to demonstrate that data practitioners can gain valuable information from this approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Study of the space environmental effects on spacecraft engineering materials

The issue of the effects of the space environment on spacecraft needs to be understood for the long term exposure of structures in space. In order to better understand the effect of these hostile phenomena on spacecraft, several types of studies are worth performing in order to simulate at some level the effect of the environment. For example the effect of protons and electrons impacting structural materials are easily simulated through experiments using the Van de Graff and Pelletron accelerators currently housed at MSFC. Proton fluxes with energies of 700 KeV - 2.5 MeV can be generated and used to impinge on sample targets to determine the effects of the particles. Also the Environmental Effects Facility at MSFC has the capability to generate electron beams with energies from 700 KeV to 2.5 MeV. These facilities will be used in this research to simulate space environmental effects from energetic particles. Ultraviolet radiation, particularly less than 400 nm wavelength, is less well characterized at this time. The Environmental Effects Facility has a vacuum system dedicated to studying the effects of ultraviolet radiation on specific surface materials. This particular system was assembled in a previous study in order to perform a variety of experiments on materials proposed for the Space Station. That system has continued to function as planned and has been used in carrying out portions of the proposed study.

Obrien, Susan K.↗

Study of the space environmental effects on spacecraft engineering materials

The space environment in which the Space Station Freedom and other space platforms will orbit is truly a hostile environment. For example, the current estimates of the integral fluence for electrons above 1 Mev at 2000 nautical miles is above 2 x 10(exp 10) electrons/sq cm/day. and the proton integral fluence is above 1 x 109 protons/sq cm/day. At the 200 - 400 nautical miles, which is more representative of the altitude which will provide the environment for the Space Station, each of these fluences will be proportionately less; however, the data indicates that the radiation environment will obviously have an effect on structural materials exposed to the environment for long durations. The effects of this combined environment is the issue which needs to be understood for the long term exposure of structures in space. In order to better understand the effect of these hostile phenomena on spacecraft, several types of studies are worth performing in order to simulate at some level the effect of the environment. For example the effect of protons and electrons impacting structural materials are easily simulated through experiments using the Van de Graff and Pelletron accelerators currently housed in the Environmental Effects Facility at MSFC. Proton fluxes with energies of 700 Kev-2.5 Mev can be generated and used to impinge on sample targets to determine the effects of the particles. Also the Environmental Effects Facility has the capability to generate electron beams with energies from 700 Kev to 2.5 Mev. These facilities will be used in this research to simulate space environmental effects from energetic particles. Ultraviolet radiation, particularly in the ultraviolet (less than 400 nm wavelength) is less well characterized at this time. The Environmental Effects Facility has a vacuum system dedicated to studying the effects of ultraviolet radiation on specific surface materials. This particular system was assembled in a previous study (NAS8-38609) in order to perform a variety of experiments on materials proposed for the Space Station. That system has continued to function as planned and has been used in carrying out portions of the proposed study.

Obrien, Susan K.↗

Overview of the NASA Glenn Flux Reconstruction Based High-Order Unstructured Grid Code

A computational fluid dynamics code based on the flux reconstruction (FR) method is currently being developed at NASA Glenn Research Center to ultimately provide a large- eddy simulation capability that is both accurate and efficient for complex aeropropulsion flows. The FR approach offers a simple and efficient method that is easy to implement and accurate to an arbitrary order on common grid cell geometries. The governing compressible Navier-Stokes equations are discretized in time using various explicit Runge-Kutta schemes, with the default being the 3-stage/3rd-order strong stability preserving scheme. The code is written in modern Fortran (i.e., Fortran 2008) and parallelization is attained through MPI for execution on distributed-memory high-performance computing systems. An h- refinement study of the isentropic Euler vortex problem is able to empirically demonstrate the capability of the FR method to achieve super-accuracy for inviscid flows. Additionally, the code is applied to the Taylor-Green vortex problem, performing numerous implicit large-eddy simulations across a range of grid resolutions and solution orders. The solution found by a pseudo-spectral code is commonly used as a reference solution to this problem, and the FR code is able to reproduce this solution using approximately the same grid resolution. Finally, an examination of the code's performance demonstrates good parallel scaling, as well as an implementation of the FR method with a computational cost/degree- of-freedom/time-step that is essentially independent of the solution order of accuracy for structured geometries.

High-Order Methods↗

Multimodal Approach Reveals the Symmetry-Breaking Pathway to the Broken Helix in EuIn 2 ⁢As 2

Understanding and manipulating emergent phases, which are themes at the forefront of quantum-materials research, rely on identifying their underlying symmetries. This general principle has been particularly prominent in materials with coupled electronic and magnetic degrees of freedom, in which magnetic order influences the electronic band structure and can lead to exotic topological effects. However, identifying symmetry of a magnetically ordered phase can pose a challenge, particularly in the presence of small domains. Here we introduce a multimodal approach for determining magnetic structures, which combines symmetry-sensitive optical probes, scattering, and group-theoretical analysis. We apply it to EuIn 2 ⁢As 2 , a material that has received attention as a candidate axion insulator. While first-principles calculations predict this state on the assumption of a simple collinear antiferromagnetic structure, subsequent neutron-scattering measurements reveal a much more intricate magnetic ground state characterized by two coexisting magnetic wave vectors reached by successive thermal phase transitions. The proposed high- and low-temperature phases are a spin helix and a state with interpenetrating helical and Néel antiferromagnetic order termed a “broken helix,” respectively. Employing a multimodal approach, we identify the magnetic structure associated with these two phases of EuIn 2 ⁢As 2 . We find that the higher-temperature phase is characterized by a variation of the magnetic moment amplitude from layer to layer, with the moment vanishing entirely in every third Eu layer. The lower-temperature structure is similar to the broken helix, with one important difference: Because of local strain, the relative orientation of the magnetic structure and the lattice is not fixed. Consequently, the symmetry required to protect the axion phase is not generically protected in EuIn 2 ⁢As 2 , but we show that it can be restored if the magnetic structure is tuned with uniaxial strain. Finally, we present a spin Hamiltonian that identifies the spin interactions that account for the complex magnetic order in EuIn 2 ⁢As 2 . Our work highlights the importance of a multimodal approach in determining the symmetry of complex order parameters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Commodity Thermoplastic Elastomer-Enabled Templated Synthesis of Large-Pore Ordered Mesoporous Materials

Fabrication of ordered mesoporous materials (OMMs) has predominantly relied on templating-based methods. However, these methods are constrained by several limitations, especially the limited pore sizes attainable with commercially available surfactants used as structure-directing agents. To unlock the full potential of the OMMs, it is essential to develop synthetic strategies that facilitate the production of large-pore OMMs using scalable processes and cost-effective precursors. This work demonstrates the use of thermoplastic elastomer (TPE)-derived carbon replicas for synthesizing ordered mesoporous silica (OMS) and metal oxides (OMMOs) via precursor infiltration and template removal. The nanostructural evolution of the resulting inorganic materials was systematically investigated. Specifically, using tetraethyl orthosilicate (TEOS) as a silica precursor, this method can produce an OMS with relatively large pores. To establish the generalizability of this process, the fabrication approach was extended to other commercially available TPEs with varied chemical compositions and molecular weights while consistently resulting in ordered structures. Additionally, this synthetic strategy can be successfully applied to the production of OMMOs, including tin and titanium oxide matrix chemistries, yielding pore sizes of 16.0 and 19.2 nm, respectively. By developing a general method and using low-cost precursors, this work presents a scalable approach for fabricating large-pore OMMs with tunable pore textures and matrix chemistries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Imaging Nanoscale Energy Transport and Conversion with Ultrafast Electron Microscopy (Final Technical Report)

Light-matter interactions are ubiquitous in nature and reside at the heart of innumerable technologies. The cascade of processes that occur when a material absorbs a photon of light are exceedingly complex and are interwoven in both space and time, rendering precise determination of the atomic-scale and ultrafast mechanisms immensely challenging. The advent of methods for generating short pulses of light several decades ago led to major advances in understanding the initial moments of light absorption and the resultant effects, though directly interrogating the response of the atoms within the material continued to prove challenging. More recently, methods for generating ultrashort pulses of X-rays and fast electrons have opened the way to probing photoinduced structural dynamics of a wide range of matter in multiple phases. An especially promising laboratory-scale method is ultrafast electron microscopy (UEM), wherein the modalities of conventional transmission electron microscopes (imaging, diffraction, spectroscopy) are extended into the femtosecond temporal regime. Here, the ultrafast imaging and diffraction modalities of UEM were used to study the transient structural aspects of photoexcitation of semiconducting materials (e.g., spatially-resolved electron-phonon coupling, excitation and emission of acoustic phonons, and discrete nanoscale scattering processes). The project had three main objectives: (1) determination of the excitation mechanisms of dense, hypersonic charge-carrier waves and the spatially mediated means by which they couple to the lattice via coherent phonon emission, especially with UEM imaging, wherein effects of nanoscale structural and morphological features on the coupling and relaxation dynamics are expected to dictate nucleation sites and preferred wave vectors, (2) elucidation of photoinduced acoustic-phonon seeding, emergence, propagation, and decay over nanoscale crystal regions and especially with respect to local strain fields and atomic-scale disruptions in lattice order, and (3) interwoven with the first two were efforts aimed at realizing combined angstrom-femtosecond spatiotemporal imaging with UEM. The outcomes and impacts of this project were the generation of new knowledge with respect to fundamental light-matter interactions and, especially, the spatially-mediated excitation and evolution of the structural response of materials following coherent photoexcitation. Importantly, the spatial and temporal resolutions of the UEM imaging modalities used are well-suited for such studies and enable spatially-resolved mechanisms to be determined as a function of atomic order, structural features, and morphology. In addition, ultrafast crystallographic measurements were used to correlate real- and reciprocal-space dynamics in order to determine atomic-scale preferential wave vectors and ultrafast scattering mechanisms, especially as dictated by specimen boundary conditions. The obtained results, as detailed in peer-reviewed publications and presentations, illustrate the importance of ultrafast, angstrom-scale real-space imaging for developing a comprehensive understanding of energy transport and conversion in materials.

47 OTHER INSTRUMENTATION↗

Size-Dependent Lattice Symmetry Breaking Determines the Exciton Fine Structure of Perovskite Nanocrystals

The order of bright and dark excitonic states in lead-halide perovskite nanocrystals is debated. It has been proposed that the Rashba effect, driven by lattice-induced symmetry breaking, causes a bright excitonic ground state. Direct measurements of excitonic spectra, however, show the signatures of a dark ground state, bringing the role of the Rashba effect into question. We use an atomistic theory to model the exciton fine structure of perovskite nanocrystals, accounting for realistic lattice distortions. We calculate optical gaps and excitonic features that compare favorably with experimental works. The exciton fine structure splittings show a nonmonotonic size dependence due to a structural transition between cubic and orthorhombic phases. Additionally, the excitonic ground state is found to be dark with spin triplet character, exhibiting a small Rashba coupling. Here we additionally explore the effects of nanocrystal shape on the fine structure, clarifying observations on polydisperse nanocrystals.

36 MATERIALS SCIENCE↗

Antiferromagnetic Order and Linear Magnetoresistance in Fe-Substituted Shandite Co 3 In 2 S 2

Co 3 In 2 S 2 is a shandite phase closely related to the ferromagnetic Weyl semimetal Co 3 Sn 2 S 2 and contains Co atoms on an ideal kagome net. Elemental substitutions in Co 3 Sn 2 S 2 have been shown to invariably suppress its magnetism, and it remains a rare example of a shandite phase with magnetic order. Here, we report a new magnetic shandite compound discovered by substituting Fe into Co 3 In 2 S 2 . Single crystals of (Co 1–x Fe x ) 3 In 2 S 2 were grown, and neutron diffraction, ac and dc magnetization, and heat capacity measurements reveal long-range antiferromagnetic order with an interesting noncollinear structure and transition temperatures from 11 to 17 K. Partially substituting Fe for Co was inspired by calculated electronic structures, which suggest that Co 3 In 2 S 2 is near a magnetic instability and shows a peak in the density of states that can be approached by hole doping. While the focus of the present work is primarily on magnetism, there is a nodal ring below the Fermi energy in Co 3 In 2 S 2 that may also provide interest from a topological perspective. Potentially related to this, we find large, linear, nonsaturating magnetoresistance in this compound. Furthermore, this work expands the scope of magnetic topological materials among shandites and motivates similar chemical manipulation studies to reveal hidden magnetic instabilities in this important family and other topological systems.

36 MATERIALS SCIENCE↗

Enhancement of γ/γ’ Microstructured Cobalt Superalloys Produced from Atomized Powder by Creating a Harmonic Structure

A material’s properties must be continuously improved to meet the demands of extreme conditions in high-temperature applications. It is demonstrated that γ-γ’ Co-based superalloys could surpass the yield stress of Ni-based superalloys at high temperature due to the γ-γ’ structure. The powders were subjected to a harmonic modification in order to refine the grain structure on the surface and to activate the sintering process. This study examines how harmonic structure affects microstructure and mechanical properties at high temperatures. Spark Plasma Sintering (SPS) was used for consolidation to maintain the ultrafine grain size microstructure of the powder. Compression tests were conducted from room temperature (RT) to 750 °C to assess the mechanical properties of the material. Yield stress values obtained from harmonic structures are four times higher than those obtained from cast alloys.

36 MATERIALS SCIENCE↗

An experimental study of propeller-induced structural vibration and interior noise

This paper presents results of tests conducted to study fuselage sidewall dynamics and their effects on the cabin interior noise of a twin-engine, propeller-driven, light aircraft. Data on the dynamic behavior were obtained by slowly sweeping the RPM of one of the engines while the aircraft was stationary on the ground. This technique allowed frequency response plots of the sidewall structural accelerations to be obtained. These accelerations are compared to similar results from a test using a mechanical shaker in order to evaluate the structural dynamic response caused by the harmonics of the propeller blade passage tone. The dynamic response of the fuselage sidewall is also discussed as a noise transmission mechanism. A second mechanism for noise transmission through the fuselage sidewall was investigated by opening the copilot's window. The results illustrate the complex nature of the noise transmission mechanisms and the importance of correctly assessing noise paths.

Howlett, J. T.↗

Progress in adaptive control of flexible spacecraft using lattice filters

This paper reviews the use of the least square lattice filter in adaptive control systems. Lattice filters have been used primarily in speech and signal processing, but they have utility in adaptive control because of their order-recursive nature. They are especially useful in dealing with structural dynamics systems wherein the order of a controller required to damp a vibration is variable depending on the number of modes significantly excited. Applications are presented for adaptive control of a flexible beam. Also, difficulties in the practical implementation of the lattice filter in adaptive control are discussed.

Sundararajan, N.↗

Application of Lanczos vectors to control design of flexible structures, part 2

This report covers the period of the grant from January 1991 until its expiration in June 1992. Together with an Interim Report (Ref. 9), it summarizes the research conducted under NASA Grant NAG9-357 on the topic 'Application of Lanczos Vectors to Control Design of Flexible Structures.' The research concerns various ways to obtain reduced-order mathematical models of complex structures for use in dynamics analysis and in the design of control systems for these structures. This report summarizes the research.

Craig, Roy R., Jr.↗

Structural optimization of thin shells using finite element method

The objective of the present work was the structural optimization of thin shell structures that are subjected to stress and displacement constraints. In order to accomplish this, the structural optimization computer program DESAP1 was modified and improved. In the static analysis part of the DESAP1 computer program the torsional spring elements, which are used to analyze thin, shallow shell structures, were eliminated by modifying the membrane stiffness matrix of the triangular elements in the local coordinate system and adding a fictitious rotational stiffness matrix. This simplified the DESAP1 program input, improved the accuracy of the analysis, and saved computation time. In the optimization part of the DESAP1 program the stress ratio formula, which redesigns the thickness of each finite element of the structure, was solved by an analytical method. This scheme replaced the iterative solution that was previously used in the DESAP1 program, thus increasing the accuracy and speed of the design. The modified program was used to design a thin, cylindrical shell structure with optimum weight, and the results are reported in this paper.

Gotsis, Pascal K.↗

The Stability of Radiatively Cooling Jets I. Linear Analysis

The results of a spatial stability analysis of a two-dimensional slab jet, in which optically thin radiative cooling is dynamically important, are presented. We study both magnetized and unmagnetized jets at external Mach numbers of 5 and 20. We model the cooling rate by using two different cooling curves: one appropriate to interstellar gas, and the other to photoionized gas of reduced metallicity. Thus, our results will be applicable to both protostellar (Herbig-Haro) jets and optical jets from active galactic nuclei. We present analytical solutions to the dispersion relations in useful limits and solve the dispersion relations numerically over a broad range of perturbation frequencies. We find that the growth rates and wavelengths of the unstable Kelvin-Helmholtz (K-H) modes are significantly different from the adiabatic limit, and that the form of the cooling function strongly affects the results. In particular, if the cooling curve is a steep function of temperature in the neighborhood of the equilibrium state, then the growth of K-H modes is reduced relative to the adiabatic jet. On the other hand, if the cooling curve is a shallow function of temperature, then the growth of K-H modes can be enhanced relative to the adiabatic jet by the increase in cooling relative to heating in overdense regions. Inclusion of a dynamically important magnetic field does not strongly modify the important differences between an adiabatic jet and a cooling jet, provided the jet is highly supermagnetosonic and not magnetic pressure-dominated. In the latter case, the unstable modes behave more like the transmagnetosonic magnetic pressure-dominated adiabatic limit. We also plot fluid displacement surfaces associated with the various waves in a cooling jet in order to predict the structures that might arise in the nonlinear regime. This analysis predicts that low-frequency surface waves and the lowest order body modes will be the most effective at producing observable features in the jet.

Hardee, Philip E.↗

Data-Driven Discovery and Experimental Validation of Solvent Polarity Effects on Conjugated Polymer Solution-to-Film Assembly Pathways

Understanding how solvent properties influence the solution-to-film assembly of conjugated polymers remains a critical challenge due to the complex and intertwined nature of polymer–solvent interactions. In this study, we integrate a data-driven framework with experimental validation to identify key parameters influencing the assembly and performance of poly[2,5-(2-octyldodecyl)-3,6-diketopyrrolopyrrole-alt-5,5-(2,5-di(thien-2-yl)thieno[3,2-b]thiophene)] (DPP-DTT) in organic field-effect transistors (OFETs). A machine learning (ML) approach identified the normalized Reichardt polarity parameter (E T N ) as a significant descriptor correlated with DPP-DTT hole mobility (μ). Systematic DPP-DTT devices fabricated using solvents across a wide E T N range revealed that higher E T N solvents yield enhanced μ. To elucidate the structural origins of high μ, we conducted comprehensive analyses using UV–vis–NIR spectroscopy and grazing incidence wide angle X-ray scattering (GIWAXS) measurements. The results revealed that films processed from high E T N solvents exhibit reduced paracrystallinity. By analyzing the solution-state behavior using optical microscopy and solution WAXS, we revealed polymer solubility differences in the various solvents and associated distinct polymer assembly pathways, elucidating why the high E T N solvent produces long-range ordered films. Notably, the high E T N solvent shows a pronounced preference for liquid-crystal (LC)-mediated assembly, providing a mechanistic explanation for the enhanced structural order. Therefore, these results demonstrate that solvent polarity, as evaluated by E T N , serves as an important parameter that plays a significant role in the DPP-DTT assembly pathway and resultant solid-state morphology. This work provides a strategy for integrating data science with experiments to identify critical parameters associated with complex polymer systems and helps guide rational process design for high-performance organic electronics.

36 MATERIALS SCIENCE↗

Order-Disorder Transitions in ( Ca x Sr 1 - x ) 3 Rh 4 Sn 13

The classification of structural phase transitions as displacive or order-disorder in character is usually based on spectroscopic data above the transition. Here, we use single crystal x-ray diffraction to investigate structural correlations in the quasiskutterudites, (Ca x Sr 1-x ) 3 Rh 4 Sn 13 , which have a quantum phase transition at x ~ 0.9. Three-dimensional pair distribution functions show that the amplitudes of local atomic displacements are temperature independent below the transition and persist to well above the transition, a signature of order-disorder behavior. The implications for the associated electronic transitions are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Study of CORC Conductors With Respect to Individual Tape Properties

CEA has been studying the advantages of a conductor based on an assembly of CORC cables in the high field zone of a hybrid Central Solenoid (CS) magnet for EU-DEMO. To this end, the detailed study of geometrical and electrical parameters of a CORC structure are studied in order to evaluate the cable’s electrical performance as well as to determine a number of important parameters (crossing points, contact surface etc…) as function of the cable structure. The paper first presents these geometrical and performance analyses. It will then try to introduce smeared models in order to reduce the cable’s performance to 1D tape scaling law using effective parameters. That reduction is of importance for use in thermohydraulic models. Finally, the paper will present the case study of a particular CORC conductor that is being procured and is foreseen to be tested in SULTAN in 2025. The paper also will try to give some predictive estimate of the cable performance and identify some of the unknowns related to current redistribution and joint resistance.

CORC↗