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All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Probabilistic Structural Analysis and Reliability Using NESSUS With Implemented Material Strength Degradation Model

This project included both research and education objectives. The goal of this project was to advance innovative research and education objectives in theoretical and computational probabilistic structural analysis, reliability, and life prediction for improved reliability and safety of structural components of aerospace and aircraft propulsion systems. Research and education partners included Glenn Research Center (GRC) and Southwest Research Institute (SwRI) along with the University of Texas at San Antonio (UTSA). SwRI enhanced the NESSUS (Numerical Evaluation of Stochastic Structures Under Stress) code and provided consulting support for NESSUS-related activities at UTSA. NASA funding supported three undergraduate students, two graduate students, a summer course instructor and the Principal Investigator. Matching funds from UTSA provided for the purchase of additional equipment for the enhancement of the Advanced Interactive Computational SGI Lab established during the first year of this Partnership Award to conduct the probabilistic finite element summer courses. The research portion of this report presents the cumulation of work performed through the use of the probabilistic finite element program, NESSUS, Numerical Evaluation and Structures Under Stress, and an embedded Material Strength Degradation (MSD) model. Probabilistic structural analysis provided for quantification of uncertainties associated with the design, thus enabling increased system performance and reliability. The structure examined was a Space Shuttle Main Engine (SSME) fuel turbopump blade. The blade material analyzed was Inconel 718, since the MSD model was previously calibrated for this material. Reliability analysis encompassing the effects of high temperature and high cycle fatigue, yielded a reliability value of 0.99978 using a fully correlated random field for the blade thickness. The reliability did not change significantly for a change in distribution type except for a change in distribution from Gaussian to Weibull for the centrifugal load. The sensitivity factors determined to be most dominant were the centrifugal loading and the initial strength of the material. These two sensitivity factors were influenced most by a change in distribution type from Gaussian to Weibull. The education portion of this report describes short-term and long-term educational objectives. Such objectives serve to integrate research and education components of this project resulting in opportunities for ethnic minority students, principally Hispanic. The primary vehicle to facilitate such integration was the teaching of two probabilistic finite element method courses to undergraduate engineering students in the summers of 1998 and 1999.

Bast, Callie C.↗
NASA NTRS1997

Nonlinear pattern analysis of ventricular premature beats by mutual information

The frequency of ventricular premature beats (VPBs) has been related to the risk of mortality. However, little is known about the temporal pattern of occurrence of VPBs and its relationship to autonomic activity. Hence, we applied a general correlation measure, mutual information, to quantify how VPBs are generated over time. We also used mutual information to determine the correlation between VPB production and heart rate in order to evaluate effects of autonomic activity on VPB production. We examined twenty subjects with more than 3000 VPBs/day and simulated random time series of VPB occurrence. We found that mutual information values could be used to characterize quantitatively the temporal patterns of VPB generation. Our data suggest that VPB production is not random and VPBs generated with a higher value of mutual information may be more greatly affected by autonomic activity.

NASA Discipline Regulatory Physiology↗
NASA NTRS1997

Resistance exercise prevents plantar flexor deconditioning during bed rest

Because resistance exercise (REX) and unloading induce opposing neuromuscular adaptations, we tested the efficacy of REX against the effects of 14 d of bed rest unloading (BRU) on the plantar flexor muscle group. Sixteen men were randomly assigned to no exercise (NOE, N = 8) or REX (N = 8). REX performed 5 sets x 6-10 repetitions to failure of constant resistance concentric/eccentric plantar flexion every other day during BRU. One-repetition maximum (1RM) strength was tested on the training device. The angle-specific torque-velocity relationship across 5 velocities (0, 0.52, 1.05, 1.75, and 2.97 rad.s-1) and the full range-of-motion power-velocity relationship were assessed on a dynamometer. Torque-position analyses identified strength changes at shortened, neutral, and stretched muscle lengths. Concentric and eccentric contractile work were measured across ten repetitions at 1.05 rad.s-1. Maximal neural activation was measured by surface electromyography (EMG). 1RM decreased 9% in NOE and improved 11% in REX (P < 0.05). Concentric (0.52 and 1.05 rad.s-1), eccentric (0.52 and 2.97 rad.s-1), and isometric angle-specific torques decreased (P < 0.05) in NOE, averaging 18%, 17%, and 13%, respectively. Power dropped (P < 0.05) in NOE at three eccentric (21%) and two concentric (14%) velocities. REX protected angle-specific torque and average power at all velocities. Concentric and eccentric strength decreased at stretched (16%) and neutral (17%) muscle lengths (P < 0.05) in NOE while REX maintained or improved strength at all joint positions. Concentric (15%) and eccentric (11%) contractile work fell in NOE (P < 0.05) but not in REX. Maximal plantar flexor EMG did not change in either group. In summary, constant resistance concentric/eccentric REX completely prevented plantar flexor performance deconditioning induced by BRU. The reported benefits of REX should prove useful in prescribing exercise for astronauts in microgravity and for patients susceptible to functional decline during bed- or chair-bound hospital stays.

NASA Discipline Musculoskeletal↗
NASA NTRS2008

Accuracy of Gradient Reconstruction on Grids with High Aspect Ratio

Gradient approximation methods commonly used in unstructured-grid finite-volume schemes intended for solutions of high Reynolds number flow equations are studied comprehensively. The accuracy of gradients within cells and within faces is evaluated systematically for both node-centered and cell-centered formulations. Computational and analytical evaluations are made on a series of high-aspect-ratio grids with different primal elements, including quadrilateral, triangular, and mixed element grids, with and without random perturbations to the mesh. Both rectangular and cylindrical geometries are considered; the latter serves to study the effects of geometric curvature. The study shows that the accuracy of gradient reconstruction on high-aspect-ratio grids is determined by a combination of the grid and the solution. The contributors to the error are identified and approaches to reduce errors are given, including the addition of higher-order terms in the direction of larger mesh spacing. A parameter GAMMA characterizing accuracy on curved high-aspect-ratio grids is discussed and an approximate-mapped-least-square method using a commonly-available distance function is presented; the method provides accurate gradient reconstruction on general grids. The study is intended to be a reference guide accompanying the construction of accurate and efficient methods for high Reynolds number applications

Thomas, James↗
NASA NTRS2011

Comparison of Signals from Gravitational Wave Detectors with Instantaneous Time-Frequency Maps

Gravitational wave astronomy relies on the use of multiple detectors, so that coincident detections may distinguish real signals from instrumental artifacts, and also so that relative timing of signals can provide the sky position of sources. We show that the comparison of instantaneous time-frequency and time-amplitude maps provided by the Hilbert-Huang Transform (HHT) can be used effectively for relative signal timing of common signals, to discriminate between the case of identical coincident signals and random noise coincidences and to provide a classification of signals based on their time-frequency trajectories. The comparison is done with a X(sup 2) goodness-of~fit method which includes contributions from both the instantaneous amplitude and frequency components of the HHT to match two signals in the time domain. This approach naturally allows the analysis of waveforms with strong frequency modulation.

Stroeer, A.↗
NASA NTRS2016

Self-Guided Multimedia Stress Management and Resilience Training for Flight Controllers

Stress and anxiety-related problems are among the most common and costly behavioral health problems in society, and for those working in operational environments (i.e. astronauts, flight controllers, military) this can seriously impact crew performance, safety, and wellbeing. Technology-based interventions are effective for treating behavioral health problems, and can significantly improve the delivery of evidence-based health care. This study is evaluating the effectiveness, usefulness, and usability of a self-guided multimedia stress management and resilience training program in a randomized controlled trial (RCT) with a sample of flight controllers at Johnson Space Center. The intervention, SMART-OP (Stress Management and Resilience Training for Optimal Performance), is a six-session, cognitive behavioral-based computer program that uses self-guided, interactive activities to teach skills that can help individuals build resilience and manage stress. In a prior RCT with a sample of stressed but otherwise healthy individuals, SMART-OP reduced perceived stress and increased perceived control over stress in comparison to an Attention Control (AC) group. SMART-OP was rated as "highly useful" and "excellent" in usability and acceptability. Based on α-amylase data, individuals in SMART-OP recovered quicker and more completely from a social stress test as compared to the AC group [1]. In the current study, flight controllers are randomized either to receive SMART-OP training, or to a 6-week waitlist control period (WLC) before beginning SMART-OP. Eligible participants include JSC flight controllers and instructors without any medical or psychiatric disorder, but who are stressed based on self-report. Flight controllers provide a valid analog sample to astronauts in that they work in an operational setting, use similar terminology to astronauts, are mission-focused, and work under the same broader work culture. The study began in December 2014, and to date 79 flight controllers and instructors have expressed interest in the study, 49 of those were cleared for participation, we have screened 44 for eligibility, and 23 have met inclusion criteria. Recruitment is ongoing and the study will continue until December 2016. Outcome measures include perceived stress, perceived control over stress, resilience, mood, personality, emotion regulation, sleep, health behaviors, and psychophysiological data such as 24-hour heart rate, alpha amylase, and urinary and salivary cortisol. We are also collecting user feedback such as usability, working alliance, usefulness, and treatment credibility.

Rose, R. D.↗
NASA NTRS2018

Tonal Noise Prediction of a Distributed Propulsion Unmanned Aerial Vehicle

Noise is expected to be a major barrier of unmanned aerial vehicles (UAVs) to public acceptance. A noise prediction scheme is introduced in this paper and applied to a specific vehicle configuration, namely, the Greased Lightning-10. Results herein will be used to demonstrate the feasibility of incorporating a noise constraint within the flight control system of a distributed electric propulsion vehicle by modifying commands for low-noise operation over sensitive areas, e.g., communities, schools, etc. Steady loading and thickness noise signatures of single propellers are computed using the Propeller Analysis System of the NASA Aircraft NOise Prediction Program. The individual signatures are then superposed at far field observers after applying corrections for spherical spreading and phase delays based on straight ray propagation. Two-propeller source fields are verified using analytical directivity patterns of monopoles. Notional effects of rotation rate, rotation direction, and relative propeller phase are given. Under ideal circumstances and equivalent RPM, random phasing, which occurs in most small UAVs, can produce up to 20 decibels uncertainty in the tonal sound pressure level at a given ground observer. Additionally, directivity modification via relative propeller phase control is shown to have great potential as a noise reduction technique. This paper will focus on the forward flight mode but will also briefly discuss the vertical flight mode.

Pascioni, Kyle A.↗
NASA NTRS2023

Southern Rockies Western Slope Agriculture: Identifying Drivers of Rangeland Production for Drought Planning on the Western Slope of the Southern Rockies

Over the last decade, the southern Rocky Mountains of the United States experienced severe and variable drought. Local ranchers and landowners have reported strain on their operations, citing decreasing forage for their cattle and a need to adjust their business models. This study identified Major Land Resource Area-48 (MLRA-48) and northwestern Colorado as the key region for analysis. NASA DEVELOP partnered with the BLM Colorado River Field Office, Colorado State University Extension, USDA Forest Service, and the National Drought Mitigation Center to address concerns regarding the efficacy of remotely sensed rangeland production platforms and identify early warning climatic indicators of drought. The study identified two key platforms, The Rangeland Productivity Monitoring Service (RPMS) and Rangeland Analysis Platform (RAP), which use NASA Landsat 5 TM, Landsat 7 ETM+, Landsat 8 OLI, and Landsat 9 OLI-2 to estimate rangeland biomass. We regressed these with in situ biomass data to validate their efficacy and found that RAP was more effective than RPMS in estimating rangeland biomass, though it presents a tendency to overestimate. Our study performed a random forest analysis, comparing monthly RAP biomass estimates to a variety of climate variables, including mean precipitation, temperature, Palmer Drought Severity Index, snow water equivalent, snow persistence from Terra MODIS, wind speed and direction, and vapor pressure deficit. We determined that vapor pressure deficit and precipitation are key indicators in predicting forage production in MLRA-48. Our climate analysis provided our partners with greater understanding of the influence of various climate variables in determining rangeland production and allows them to assist land managers in drought mitigation.

remote sensing↗
NASA NTRS2024

Impact of Simulated Microgravity on Mesenchymal Stem Cell Proliferation

Background Long term exposure to microgravity has adverse effects on human body such as bone loss. Due to the vital role of mesenchymal stem cell (MSC) in bone regeneration, studying MSC under microgravity conditions has been of interest during the past decade. However, high cost and limited access to space flight can dampen enthusiasm of researchers. Microgravity simulators provide a way to investigate the effects of microgravity in human physiology. Methods In this study, we compared MSC cultures under simulated microgravity using random positioning machine (RPM) and Gravite 3D simulators. Two culture durations, 1 week and 2 weeks, were selected for MSC cultures without media change. To evaluate impact of simulated microgravity on cell proliferation, cell counting was performed using trypan blue exclusion assay. Additionally, RNA samples and conditioned media were collected for further analysis. Results After 1 week and 2 weeks, no cell morphology change was observed from RPM and Gravite cultures compared to control. Notably, distinct lower cell confluence at the edge of the flasks on the RPM was observed, which could be caused by fluid sheer forces. MSCs cultured on both microgravity simulators showed decreased cell proliferation after 1-week culture. After 2-week culture, cells grown on the RPM showed no significant difference in cell proliferation compared with control while cells cultured on the Gravite bioreactor showed significantly enhanced MSC proliferation. Conclusion Type of microgravity simulator and duration of culture significantly affect MSC proliferation. Further investigation into how simulated microgravity influences MSC gene expression and cytokine secretion related to bone loss is currently on going in our lab.

Cuiping Zhang↗
NASA NTRS2003

A Physical Model to Determine Snowfall over Land by Microwave Radiometry

Because microwave brightness temperatures emitted by snow covered surfaces are highly variable, snowfall above such surfaces is difficult to observe using window channels that occur at low frequencies (v less than 100 GHz). Furthermore, at frequencies v less than or equal to 37 GHz, sensitivity to liquid hydrometeors is dominant. These problems are mitigated at high frequencies (v greater than 100 GHz) where water vapor screens the surface emission and sensitivity to frozen hydrometeors is significant. However the scattering effect of snowfall in the atmosphere at those higher frequencies is also impacted by water vapor in the upper atmosphere. This work describes the methodology and results of physically-based retrievals of snow falling over land surfaces. The theory of scattering by randomly oriented dry snow particles at high microwave frequencies appears to be better described by regarding snow as a concatenation of equivalent ice spheres rather than as a sphere with the effective dielectric constant of an air-ice mixture. An equivalent sphere snow scattering model was validated against high frequency attenuation measurements. Satellite-based high frequency observations from an Advanced Microwave Sounding Unit (AMSU-B) instrument during the March 5-6, 2001 New England blizzard were used to retrieve snowfall over land. Vertical distributions of snow, temperature and relative humidity profiles were derived from the Pennsylvania State University-National Center for Atmospheric Research (PSU-NCAR) fifth-generation Mesoscale Model (MM5). Those data were applied and modified in a radiative transfer model that derived brightness temperatures consistent with the AMSU-B observations. The retrieved snowfall distribution was validated with radar reflectivity measurements obtained from the National Oceanic and Atmospheric Administration (NOAA) National Weather Service (NWS) ground-based radar network.

Skofronick-Jackson, G.↗
NASA NTRS1999

Fluid Physics in a Fluctuating Acceleration Environment

Our program of research aims at developing a stochastic description of the residual acceleration field onboard spacecraft (g-jitter) to describe in quantitative detail its effect on fluid motion. Our main premise is that such a statistical description is necessary in those cases in which the characteristic time scales of the process under investigation are long compared with the correlation time of g-jitter. Although a clear separation between time scales makes this approach feasible, there remain several difficulties of practical nature: (i), g-jitter time series are not statistically stationary but rather show definite dependences on factors such as active or rest crew periods; (ii), it is very difficult to extract reliably the low frequency range of the power spectrum of the acceleration field. This range controls the magnitude of diffusive processes; and (iii), models used to date are Gaussian, but there is evidence that large amplitude disturbances occur much more frequently than a Gaussian distribution would predict. The lack of stationarity does not constitute a severe limitation in practice, since the intensity of the stochastic components changes very slowly during space missions (perhaps over times of the order of hours). A separate analysis of large amplitude disturbances has not been undertaken yet, but it does not seem difficult a priori to devise models that may describe this range better than a Gaussian distribution. The effect of low frequency components, on the other hand, is more difficult to ascertain, partly due to the difficulty associated with measuring them, and partly because they may be indistinguishable from slowly changing averages. This latter effect is further complicated by the lack of statistical stationarity of the time series. Recent work has focused on the effect of stochastic modulation on the onset of oscillatory instabilities as an example of resonant interaction between the driving acceleration and normal modes of the system, and on cavity flow as an example of how an oscillatory response under periodic driving becomes diffusive if the forcing is random instead. This paper describes three different topics that illustrate behavior that is peculiar to a stochastic acceleration field. In the first case, we show that g-jitter can induce effective attractive or repulsive forces between a pair of spherical particles that are suspended in an incompressible fluid of different density provided that the momentum diffusion length is larger than the interparticle separation (as in the case in most colloidal suspensions). Second, a stochastic modulation of the control parameter in the vicinity of a pitchfork or supercritical bifurcation is known not to affect the location of the threshold. We show, however, that resonance between the modulation and linearly stable modes close to onset can lead to a shift in threshold. Finally, we discuss the classical problem of vorticity diffusion away from a plane boundary that is being vibrated along its own plane. Periodic motion with zero average vorticity production results in an exponential decay of the vorticity away from the boundary. Random vibration, on the other hand, results in power law decay away from the boundary even if vorticity production averages to zero.

Drolet, Francois↗
DOE OSTI2023

Emulating aerosol optics with randomly generated neural networks

Abstract. Atmospheric aerosols have a substantial impact on climate and remain one of the largest sources of uncertainty in climate prediction. Accurate representation of their direct radiative effects is a crucial component of modern climate models. However, direct computation of the radiative properties of aerosol populations is far too computationally expensive to perform in a climate model, so optical properties are typically approximated using a parameterization. This work develops artificial neural networks (ANNs) capable of replacing the current aerosol optics parameterization used in the Energy Exascale Earth System Model (E3SM). A large training dataset is generated by using Mie code to directly compute the optical properties of a range of atmospheric aerosol populations given a large variety of particle sizes, wavelengths, and refractive indices. Optimal neural architectures for shortwave and longwave bands are identified by evaluating ANNs with randomly generated wirings. Randomly generated deep ANNs are able to outperform conventional multilayer-perceptron-style architectures with comparable parameter counts. Finally, the ANN-based parameterization produces significantly more accurate bulk aerosol optical properties than the current parameterization when compared with direct Mie calculations using mean absolute error. The success of this approach makes possible the future inclusion of much more sophisticated representations of aerosol optics in climate models that cannot be captured by extension of the existing parameterization scheme and also demonstrates the potential of random-wiring-based neural architecture search in future applications in the Earth sciences.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1987

Gyroresonant pitch angle scattering by coherent and incoherent whistler mode waves in the magnetosphere

A test particle approach is used to compare gyroresonant pitch angle scattering of energetic electrons by coherent versus incoherent whistler mode waves, for the case in which the coherent wave amplitude is below the nonlinear phase trapping threshold. Wave packets of 400 ms duration propagating along the magnetic field at L = 4 within the plasmasphere are considered, and the wave-induced pitch angle scattering along the propagation path from one hemisphere to the other and the resulting precipitation flux are computed. An incoherent wave spectrum is simulated by random modulation of the wave frequency at intervals of 1 ms, thereby generating signals with nearly constant power spectral density over a bandwidth of 2 kHz centered at 5.5 kHz. The associated pitch angle scattering is compared with that of a monochromatic 5.5-kHz signal of 400 ms duration. Results of the test particle analysis are compared with those expected on the basis of a classical diffusion treatment, and an expression is derived for an effective “diffusion” coefficient for pitch angle scattering by coherent waves. The trajectory followed by a particle when interacting with incoherent waves essentially represents a random walk in velocity space, while for coherent waves the pitch angle of the particle varies in a well-defined manner. In spite of the fact that individual particle scatterings are typically larger for coherent waves, the peak precipitation fluxes induced by incoherent waves are found to be approximately the same as those for coherent waves having the same total power. This results from the fact that incoherent waves interact with particles over a wider range of energies. As a consequence, the energy spectrum and the temporal extent of transient precipitation pulses due to incoherent wave packets are broader than those for equivalent coherent ones.

Umran S Inan↗
DOE OSTI2023

Progressive Tree-Based Compression of Large-Scale Particle Data

Scientific simulations and observations using particles have been creating large datasets that require effective and efficient data reduction to store, transfer, and analyze. However, current approaches either compress only small data well while being inefficient for large data, or handle large data but with insufficient compression. Toward effective and scalable compression/decompression of particle positions, we introduce new kinds of particle hierarchies and corresponding traversal orders that quickly reduce reconstruction error while being fast and low in memory footprint. Our solution to compression of large-scale particle data is a flexible block-based hierarchy that supports progressive, random-access, and error-driven decoding, where error estimation heuristics can be supplied by the user. For low-level node encoding, we introduce new schemes that effectively compress both uniform and densely structured particle distributions. Our proposed methods thus target all three phases of a tree-based particle compression pipeline, namely tree construction, tree traversal, and node encoding. In conclusion, the improved efficacy and flexibility of these methods over existing compressors are demonstrated through extensive experimentation, using a wide range of scientific particle datasets.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1988

Use of LANDSAT images of vegetation cover to estimate effective hydraulic properties of soils

The estimation of the spatially variable surface moisture and heat fluxes of natural, semivegetated landscapes is difficult due to the highly random nature of the vegetation (e.g., plant species, density, and stress) and the soil (e.g., moisture content, and soil hydraulic conductivity). The solution to that problem lies, in part, in the use of satellite remotely sensed data, and in the preparation of those data in terms of the physical properties of the plant and soil. The work was focused on the development and testing of a stochastic geometric canopy-soil reflectance model, which can be applied to the physically-based interpretation of LANDSAT images. The model conceptualizes the landscape as a stochastic surface with bulk plant and soil reflective properties. The model is particularly suited for regional scale investigations where the quantification of the bulk landscape properties, such as fractional vegetation cover, is important on a pixel by pixel basis. A summary of the theoretical analysis and the preliminary testing of the model with actual aerial radiometric data is provided.

Eagleson, Peter S.↗
NASA NTRS1992

Phase noise in pulsed Doppler lidar and limitations on achievable single-shot velocity accuracy

The smaller sampling volumes afforded by Doppler lidars compared to radars allows for spatial resolutions at and below some sheer and turbulence wind structure scale sizes. This has brought new emphasis on achieving the optimum product of wind velocity and range resolutions. Several recent studies have considered the effects of amplitude noise, reduction algorithms, and possible hardware related signal artifacts on obtainable velocity accuracy. We discuss here the limitation on this accuracy resulting from the incoherent nature and finite temporal extent of backscatter from aerosols. For a lidar return from a hard (or slab) target, the phase of the intermediate frequency (IF) signal is random and the total return energy fluctuates from shot to shot due to speckle; however, the offset from the transmitted frequency is determinable with an accuracy subject only to instrumental effects and the signal to noise ratio (SNR), the noise being determined by the LO power in the shot noise limited regime. This is not the case for a return from a media extending over a range on the order of or greater than the spatial extent of the transmitted pulse, such as from atmospheric aerosols. In this case, the phase of the IF signal will exhibit a temporal random walk like behavior. It will be uncorrelated over times greater than the pulse duration as the transmitted pulse samples non-overlapping volumes of scattering centers. Frequency analysis of the IF signal in a window similar to the transmitted pulse envelope will therefore show shot-to-shot frequency deviations on the order of the inverse pulse duration reflecting the random phase rate variations. Like speckle, these deviations arise from the incoherent nature of the scattering process and diminish if the IF signal is averaged over times greater than a single range resolution cell (here the pulse duration). Apart from limiting the high SNR performance of a Doppler lidar, this shot-to-shot variance in velocity estimates has a practical impact on lidar design parameters. In high SNR operation, for example, a lidar's efficiency in obtaining mean wind measurements is determined by its repetition rate and not pulse energy or average power. In addition, this variance puts a practical limit on the shot-to-shot hard target performance required of a lidar.

Mcnicholl, P.↗
DOE OSTI2024

Ligand Substituent Effects on the Electronic Properties of Lindqvist‐Type Polyoxometalate Multi‐Level‐Switches in the Gas Phase, Solution and on Surfaces

Abstract Although the intrinsic electronic properties of polyoxometalates (POMs) can be greatly influenced by modifying them with organic substituents, their resistive switching behavior on surfaces dependent on the organic substituents remains largely unexplored. In this work, we assessed the importance of electron‐withdrawing and electron‐donating ligand substituents on the material properties of a series of hybrid Lindqvist‐type hexavanadates TBA 2 [V 6 O 13 ((OCH 2 ) 3 CCH 2 OH) 2 ] (TBA 2 V 6 ‐OH), TBA 2 [V 6 O 13 ((OCH 2 ) 3 CMe) 2 ] (TBA 2 V 6 ‐Me), TBA 2 [V 6 O 13 ((OCH 2 ) 3 CNHCOCH 2 Cl) 2 ] (TBA 2 V 6 ‐Cl), and TBA 2 [V 6 O 13 ((OCH 2 ) 3 CNHCOCH 2 ‐OOCC 10 H 15 ) 2 ] (TBA 2 V 6 ‐Ad) as potential resistive random‐access memory (ReRAM) components. Compared to their redox behavior in solution, changing the ligand substituents on surfaces results in no significant effect on the potential and, thus, no effect on the resistance steps in the current‐voltage profiles. However, while the current‐voltage characteristics do not change, the peripheral metal‐free substituents in the trisalkoxide framework of Lindqvist‐type hexavanadate molecules influence the adsorption and switching stability of these POMs on gold. This work highlights the noticeable differences between hexavanadate's redox properties in solution (which follow the trend observed in the gas phase) and hexavanadate's resistive switching properties on conducting surfaces. Importantly, their multi‐state switching behavior is not significantly altered by the different type of substituent at the periphery of the trisalkoxo ligands.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thermal conductivity of two-dimensional disordered fibrous materials defined by interfiber thermal contact conductance and intrinsic conductivity of fibers

A general framework for the theoretical analysis and numerical calculations of the effective thermal conductivity of two-dimensional homogeneous and isotropic disordered fibrous materials is developed in this work based on the model of random contacts between soft-core spherocylinders. The analysis accounts for the interfiber contact conductance and intrinsic conductivity of fibers and is performed in a wide space of governing parameters that includes the fiber aspect ratio, Biot number calculated for a single thermal contact between fibers, and material density ranging from values corresponding to the percolation threshold up to those characteristic of dense fiber networks. For dense networks, exact theoretical equations for the thermal conductivity of materials composed of spherocylinders with an arbitrary aspect ratio and Biot number are derived. The effect of the intrinsic conductivity of fibers on the thermal transport in fibrous materials is found to depend on the density of contacts and can be significant in sufficiently dense fiber networks even if the Biot number for a single thermal contact is small. Semiempirical corrections to the theoretical equations are derived for small and moderate fiber densities. The power law exponent describing the approximate dependence of the conductivity on the density parameter is found to vary from values close to 1 up to values exceeding 2 when evaluated within different finite ranges of the density parameter. This finding explains the variability of scaling laws for thermal conductivity of fibrous materials suggested in the literature based on numerical simulations performed in different regions of the space of material parameters.

36 MATERIALS SCIENCE↗