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All sources NASA NTRS DOE OSTI

DOE OSTI2016

Analysis of SNL/MSU/DOE Fatigue Database Trends for Wind Turbine Blade Materials 2010-2015.

Wind turbine blades are designed to several major structural conditions, including tip deflection, strength and b uckling during severe loading, as well as very high numbers of fatigue cycles and various service environments. The MSU Database Program has, since 1989, addressed the broad range of properties needed for current and potential blade materials through stati c and fatigue testing and test development in cooperation with Sandia National Laboratories and wind industry and supplier partners. This report is the latest in a series, giving test results and analysis for the period 2010 - 2015. Program data are compiled in a public database [1] and other reports and publications given in the cited references. The report begins with an executive summary and introductory material including background discussion of previous related studies. Section 3 describes experimental methods including processing, test methods, instrumentation and test development. Section 4 provides static tension, compression and shear stress - strain properties in three directions using coupons sectioned from a thick infused unidirectional glass/epoxy laminate. The nonlinear, shear dominated static properties were characterized with loading - u nloading - reloading (LUR) tests in tension and compression to increasing load levels, for +-45O laminates. Section 5 explores the origins of tensile fatigue sensitivity in glass fiber dominated laminates with variations in fabric architecture including speci ally prepared fabrics and aligned strand laminates. Several types of resins are considered, with variations in resin toughness and bonding to fibers, as well as cure cycle variations for an epoxy. Conclusions are drawn as to the limits of tensile fatigue r esistance and the effects of resin type and fabric architecture, including the behavior of a commercial aligned glass strand product. Interactions between cyclic fatigue response and creep are addressed for off - axis (+-45O) glass/epoxy laminates in Sectio n 6. The nonlinear fatigue and creep stress - strain and cumulative strain response are characterized in tension and compression as a function of stress level, cycles and cumulative time, using square and sinewave loading over a broad range of frequency. The results are analyzed in terms of the cycles and cumulative time under load. A cumulative strain failure criterion is established, and used to construct shear and tension constant life diagrams (CLD's) with data for nine R - values. The effects of a more duc tile urethne resin are also explored. A previous study of thick adhesives testing is extended to mixed mode fracture mechanics testing in Section 7. Mechanisms of static and fatigue crack extension near the laminate adherend interface are reported in deta il. Data are presented for mixed mode adhesive fracture, compared to mixed mode fracture in ply delamination. Fatigue crack growth exponents are also developed for a mixed mode cracked lap shear coupon. The data for fatigue trends and relative failure stra ins and exponents are compared for various blade component materials in Section 8. The effects of temperature and seawater saturation are considered for selected materials of interest for wind and hydrokinetic turbine blades in Section 9. Section 10 gives detailed conclusions for each section. A cknowledgements The research presented in this report was carried out under Sandia National Laboratories purchase orders 1325028 an d 1543945 between 2010 and 2015, with support from the DOE Wind and Water Technologies Office . In addition to the authors listed, significant contributions were made by Patrick Flaherty, Pancastya Agastra, Michael Schuster, and Michael Voth. Industry m aterials suppliers include Vectorply, Saertex, OCV, AGY, Bayer, Ashland, 3M and Nextel. Industry suppliers with significant contributions to the study were Hexion, PPG, Reichhold, Gurit and NEPTCO. Intentionally Left Blank

17 WIND ENERGY↗

NASA NTRS1986

Plasma interactions and surface/material effects

A discussion on plasma interactions and surface/material effects is summarized. The key issues in this area were: (1) the lack of data on the material properties of common spacecraft surface materials; (2) lack of understanding of the contamination and decontamination processes; and (3) insufficient analytical tools to model synergistic phenomena related to plasma interactions. Without an adequate database of material properties, accurate system performance predictions cannot be made. The interdisciplinary nature of the surface-plasma interactions area makes it difficult to plan and maintain a coherent theoretical and experimental program. The shuttle glow phenomenon is an excellent example of an unanticipated, complex interaction involving synergism between surface and plasma effects. Building an adequate technology base for understanding and predicting surface-plasma interactions will require the coordinated efforts of engineers, chemists, and physicists. An interdisciplinary R and D program should be organized to deal with similar problems that the space systems of the 21st century may encounter.

Mandel, M.↗

NASA NTRSDate not supplied

Human Factors and Behavioral Performance Exploration Measures Harmonized Across HERA, NEK, and ISS: Teams Risk

BACKGROUNDThe Human Factors and Behavioral Performance Exploration Measures (HFBP-EM) suite is a set of standardized measures to assess behavioral health and performance risk related to future exploration class missions, and to support reduction of the Human Research Program’s (HRP) Behavioral Medicine (BMed), Team, Sleep, and Human Systems Integration Architecture risks. HFBP-EM were collected during Human Exploration Research Analogs (HERA) campaigns 4 (C4) and 5 (C5), and during SIRIUS 17 and 19 missions in the Russian Ground Based Experiment Complex, NEK, to document the feasibility, flexibility, and acceptability of these measures in analogsof the spaceflight environment. A subset of the HFBP-EM suite was collected during spaceflight as part HRP’s Standard Measures in Spaceflight Project. Whenever possible, the HFBP-EM protocol and measures are kept the same across studies, however, differences across research settings (e.g., experimental manipulations, mission scenarios, mission length) and implementation of the measures require the data are harmonized to ensure comparable views across missions. The purpose of our project is to develop a harmonized database of HFBP-EM data from different settings, and to summarize the trajectory of behavioral health and performance within and between research settings. In this presentation, we will summarize the harmonized dataset and the trajectory of measures related to the Team Risk, including team performance, team cohesion, team processes, and psychological safety, over time and between and within settings.METHODSWe followed best practices for data harmonization. Characteristics of each research setting were assessed for harmonization potential, and we deemed NEK-SIRIUS 17 as inappropriate due to study aims, length, and data quality. Common variables of interest were identified. Study characteristics and key variables with which datafiles could be merged were defined as “meta-data.” HFBP-EM data from all settings were processed under a common format. We then created a harmonized team-level database designed to facilitate analyses that address HRP research gaps related to HRP’s Team risk. In this database, team cohesion, processes, performance, psychological safety, and group living were operationalized as the team mean of the crew responses for each data collection (e.g., on mission day 7). Data collected on the International Space Station (ISS) included a subset of scale items administered to participants. Data collected from ISS team members within +/- 7 days of the first data collection and every following 30 +/-4 days were aggregated to the team level. We generated figures that display the mean and variability of team constructs across research settings. We also generated plots of changes in team constructs with mission day and with percentage of the mission completed. Where possible, we compared data from spaceflight analogs with data from astronauts aboard the ISS. RESULTS AND DISCUSSIONThe team-level harmonized database was structured such that each row represents data for a team on a specific mission day. Team constructs (e.g., team cohesion) were included as columns (i.e., wide format) with repeated measures across mission days given in rows (i.e., long format). The database included data from 18 crews: five, 4-person American crews in HERA C4, four 4-person American crews in HERA C5, one 6-person multinational crew in NEK-SIRIUS 19, and eight, 2–11-person multinational crews aboard the ISS. Results provide insights into mission and campaign differences in team functioning and performance. For example, between campaign differences were observed for team processes—the interdependent team actions that orchestrate taskwork in pursuit of the team’s goals [1]. Greater between-team variability on team processes was detected during HERA C4 than during C5, and a downward trend was observed over the duration of C4, but not C5 or SIRIUS 19. This may be due to the campaign-level differences such as the sleep deprivation implemented during C4. Responses on the subset of team process items administered on the ISS indicate between-crew variability more like those observed in C4 than C5 and NEK, with some, but not all ISS crews demonstrating a downward trend over time. Additional findings will be presented. REFERENCESMarks, M. A., et al (2001) Academy of Management Review, 26(3), 356-376.

S T Bell↗

NASA NTRSDate not supplied

Human Factors and Behavioral Performance Exploration Measures Harmonized Across HERA, NEK, and ISS Teams Risk

The Human Factors and Behavioral Performance Exploration Measures (HFBP-EM) suite is a set of standardized measures to assess behavioral health and performance risk related to future exploration class missions, and to support reduction of the Human Research Program’s (HRP) Behavioral Medicine (BMed), Team, Sleep, and Human Systems Integration Architecture risks. HFBP-EM were collected during Human Exploration Research Analogs (HERA) campaigns 4 (C4) and 5 (C5), and during SIRIUS 17 and 19 missions in the Russian Ground Based Experiment Complex, NEK, to document the feasibility, flexibility, and acceptability of these measures in analogs of the spaceflight environment. A subset of the HFBP-EM suite was collected during spaceflight as part HRP’s Standard Measures in Spaceflight Project. Whenever possible, the HFBP-EM protocol and measures are kept the same across studies, however, differences across research settings (e.g., experimental manipulations, mission scenarios, mission length) and implementation of the measures require the data are harmonized to ensure comparable views across missions. The purpose of our project is to develop a harmonized database of HFBP-EM data from different settings, and to summarize the trajectory of behavioral health and performance within and between research settings. In this presentation, we will summarize the harmonized dataset and the trajectory of measures related to the Team Risk, including team performance, team cohesion, team processes, and psychological safety, over time and between and within settings.

S T Bell↗

DOE OSTI2016

Evaluating performance of two-group interfacial area transport equation for vertical small and large diameter pipes

In the two-fluid transport model, the coupling of mass, momentum and energy transfer between phases is highly dependent on interfacial area transfer terms. Several research efforts in the past have been focused on the development of an interfacial area transport equation model (IATE), in order to eliminate the drawbacks of static flow regime maps currently used in best-estimate thermal-hydraulic system codes. The IATE attempts to model the dynamics that are involved in two phase flows by accounting for the different interaction mechanisms affecting bubble transport in the flow. The further development and validation of IATE models has been hindered by the lack of adequate experimental data in regions beyond the bubbly flow regime. At the Helmholtz-Zentrum Dresden-Rossendorf (HZDR) experiments utilizing wire mesh sensors have been performed over all flow regimes, establishing a database of high-resolution (in space and time) data. Two sets of data from small and large diameter pipes fitted with wire mesh sensors is utilized in this work. Analysis of flow conditions in the bubbly, churn turbulent and annular flow regimes is presented. The performance of the Fu-Ishii two-group model is evaluated against small diameter database. Results indicate good performance (< 10% error) for small group 1 bubbles, and poor performance for large group 2 bubbles. The Smith two-group large diameter IATE model is evaluated for the large diameter database. In low void-fraction regimes, the Smith model performs well. In high void-fraction regimes, there is poor group-wise interfacial area prediction - however the total interfacial area is erroneously predicted well as group-wise errors compensate each other. Overall, the study suggests that further efforts and re-evaluation of closure terms are needed in order to extend the range of validity of the IATE models. (authors)

42 ENGINEERING↗

DOE OSTI2018

Phase stability and thermodynamic database validation in a set of non-equiatomic Al-Co-Cr-Fe-Nb-Ni high-entropy alloys

A series of six high-entropy alloys in non-equiatomic proportions were produced to study the phase stability across a range of compositions within the Al-Co-Cr-Fe-Nb-Ni system. Phase identification was performed using SEM, TEM, and XRD and computational tools were employed for comparison to the experimental findings. Complex microstructures were obtained following exposure at 900 °C with precipitation of Laves, NiAl, γ' and δ phases. Primary and secondary Laves populations were identified and found to become more stable with increasing Fe and Nb content. Additions of Nb promoted the formation of thin, plate-like, δ phase at the expense of the secondary Laves. The NiAl phase was observed to precipitate in the alloys with high Fe content, above the γ' solvus temperature. Overall, the thermodynamic predictions using Thermo-Calc with the TCNi8 database were accurate with respect to identifying the phase composition, while TTNi8 provided good phase stability results. Furthermore, significant differences were observed with respect to the solvus temperatures of the precipitate phases.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Direct prediction of inelastic neutron scattering spectra from the crystal structure*

Abstract Inelastic neutron scattering (INS) is a powerful technique to study vibrational dynamics of materials with several unique advantages. However, analysis and interpretation of INS spectra often require advanced modeling that needs specialized computing resources and relevant expertise. This difficulty is compounded by the limited experimental resources available to perform INS measurements. In this work, we develop a machine-learning based predictive framework which is capable of directly predicting both one-dimensional INS spectra and two-dimensional INS spectra with additional momentum resolution. By integrating symmetry-aware neural networks with autoencoders, and using a large scale synthetic INS database, high-dimensional spectral data are compressed into a latent-space representation, and a high-quality spectra prediction is achieved by using only atomic coordinates as input. Our work offers an efficient approach to predict complex multi-dimensional neutron spectra directly from simple input; it allows for improved efficiency in using the limited INS measurement resources, and sheds light on building structure-property relationships in a variety of on-the-fly experimental data analysis scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Model for determining rupture area in Zircaloy cladding under LOCA conditions

The dispersal of nuclear fuel through a cladding rupture opening during a transient event is the primary safety concern preventing the United States nuclear industry from extending burnup beyond a peak rod average burnup of 62 GWd/tU. The majority of research thus far has prioritized understanding, or at a minimum prioritized quantifying, fuel fragmentation and pulverization as a function of burnup and to a lesser extent onset temperature. Early high burnup loss-of-coolant accident tests performed at the Halden Boiling Water Reactor evaluated the impact of relocation on cladding temperature, whereas historical and recent cladding burst tests focused primarily on generating data related to cladding balloon and burst timing. However, very little effort has been put forth to develop a relationship for determining the rupture opening dimensions for Zircaloy cladding tubes bursting during a simulated light water reactor loss-of-coolant accident. This is significant because high burnup loss-of-coolant accident data suggest dispersal could be limited by the size of the rupture opening or rupture dimensions, thereby minimizing the safety concern. Therefore, the purpose of this research is to build a database composed of all simulated loss-of-coolant accident data to develop an empirical model that conservatively captures the rupture opening dimensions and translates those dimensions to rupture area. Analysis of the experimental data indicates the rupture dimensions are strongly correlated to the peak balloon strain. This relationship is leveraged to develop a rupture length empirical correlation as a function of peak balloon strain and a rupture width empirical correlation as a function of rupture length. Outliers in the experimental data are identified and discussed. Finally, the rupture opening empirical model is presented in such a way for general implementation into high fidelity fuel performance codes or fuel performance codes used for safety analyses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Candidate ferroelectrics via ab initio high-throughput screening of polar materials

Ferroelectrics are a class of polar and switchable functional materials with diverse applications, from microelectronics to energy conversion. Computational searches for new ferroelectric materials have been constrained by accurate prediction of the polarization and switchability with electric field, properties that, in principle, require a comparison with a nonpolar phase whose atomic-scale unit cell is continuously deformable from the polar ground state. For most polar materials, such a higher-symmetry nonpolar phase does not exist or is unknown. Here, we introduce a general high-throughput workflow that screens polar materials as potential ferroelectrics. We demonstrate our workflow on 1978 polar structures in the Materials Project database, for which we automatically generate a nonpolar reference structure using pseudosymmetries, and then compute the polarization difference and energy barrier between polar and nonpolar phases, comparing the predicted values to known ferroelectrics. Focusing on a subset of 182 potential ferroelectrics, we implement a systematic ranking strategy that prioritizes candidates with large polarization and small polar-nonpolar energy differences. To assess stability and synthesizability, we combine information including the computed formation energy above the convex hull, the Inorganic Crystal Structure Database id number, a previously reported machine learning-based synthesizability score, and ab initio phonon band structures. To distinguish between previously reported ferroelectrics, materials known for alternative applications, and lesser-known materials, we combine this ranking with a survey of the existing literature on these candidates through Google Scholar and Scopus databases, revealing ~130 promising materials uninvestigated as ferroelectric. Our workflow and large-scale high-throughput screening lays the groundwork for the discovery of novel ferroelectrics, revealing numerous candidates materials for future experimental and theoretical endeavors.

36 MATERIALS SCIENCE↗

DOE OSTI2022

SOMAS: a platform for data-driven material discovery in redox flow battery development

Abstract Aqueous organic redox flow batteries offer an environmentally benign, tunable, and safe route to large-scale energy storage. The energy density is one of the key performance parameters of organic redox flow batteries, which critically depends on the solubility of the redox-active molecule in water. Prediction of aqueous solubility remains a challenge in chemistry. Recently, machine learning models have been developed for molecular properties prediction in chemistry and material science. The fidelity of a machine learning model critically depends on the diversity, accuracy, and abundancy of the training datasets. We build a comprehensive open access organic molecular database “Solubility of Organic Molecules in Aqueous Solution” (SOMAS) containing about 12,000 molecules that covers wider chemical and solubility regimes suitable for aqueous organic redox flow battery development efforts. In addition to experimental solubility, we also provide eight distinctive quantum descriptors including optimized geometry derived from high-throughput density functional theory calculations along with six molecular descriptors for each molecule. SOMAS builds a critical foundation for future efforts in artificial intelligence-based solubility prediction models.

25 ENERGY STORAGE↗

DOE OSTI2024

Macroscopic trends of linear tearing stability in cylindrical current profiles

Abstract The likelihood of realising tokamak power-plants will be greatly improved by the discovery of high-gain equilibria that resist the formation of small islands and hence avoid the disruptive neoclassical tearing mode. We propose a series of studies to understand how simple tokamak design can leverage aspects of tearing onset physics to maximise passive resistance to island formation. Here we investigate the variation that current profiles can bring about in preventing tearing onset through the cylindrical linear tearing stability parameter Δ ′ . A database of 159148 realistic pilot-plant current profiles was generated with Monte Carlo sampling, and the distribution of Δ ′ values was linked with interpretable profile characteristics. In agreement with prior theoretical and experimental studies, Δ ′ was found to be strongly correlated with the existence and steepness of a local toroidal current well or hill, with the former destabilising and the latter stabilising. In the absence of these two cases, the remaining Δ ′ values were linearly bounded by the toroidal current gradient at the rational surface.

Physics↗

DOE OSTI2022

The CALPHAD approach for HEAs: Challenges and opportunities

Phases are key microstructural features that determine material properties. The most intuitive way of representing phase stability in a material is by its phase diagram. The vastness of the composition space is the most compelling reason for investigating high-entropy alloys (HEAs), but it also creates major challenges in controlling phases and microstructures of HEAs due to lack of experimental phase diagrams in highly concentrated multicomponent space. The CALPHAD (Calculation of Phase Diagram) approach, although it needs improvements, is the only viable way to calculate multicomponent phase diagrams. The two major property databases in CALPHAD, Gibbs energy and mobility, when coupled, can provide not only the equilibrium phase information, but also information about diffusion and kinetics. In this article, we will review the use of the CALPHAD approach in understanding phase stability and diffusion in high-entropy alloys. Finally, we will discuss the notable trend of coupling the high-throughput CALPHAD approach with machine learning in HEA design.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Metagenomic Insights Into the Microbial Iron Cycle of Subseafloor Habitats

Microbial iron cycling influences the flux of major nutrients in the environment (e.g., through the adsorptive capacity of iron oxides) and includes biotically induced iron oxidation and reduction processes. The ecological extent of microbial iron cycling is not well understood, even with increased sequencing efforts, in part due to limitations in gene annotation pipelines and limitations in experimental studies linking phenotype to genotype. This is particularly true for the marine subseafloor, which remains undersampled, but represents the largest contiguous habitat on Earth. To address this limitation, we used FeGenie, a database and bioinformatics tool that identifies microbial iron cycling genes and enables the development of testable hypotheses on the biogeochemical cycling of iron. Herein, we survey the microbial iron cycle in diverse subseafloor habitats, including sediment-buried crustal aquifers, as well as surficial and deep sediments. We inferred the genetic potential for iron redox cycling in 32 of the 46 metagenomes included in our analysis, demonstrating the prevalence of these activities across underexplored subseafloor ecosystems. We show that while some processes (e.g., iron uptake and storage, siderophore transport potential, and iron gene regulation) are near-universal, others (e.g., iron reduction/oxidation, siderophore synthesis, and magnetosome formation) are dependent on local redox and nutrient status. Additionally, we detected niche-specific differences in strategies used for dissimilatory iron reduction, suggesting that geochemical constraints likely play an important role in dictating the dominant mechanisms for iron cycling. Overall, our survey advances the known distribution, magnitude, and potential ecological impact of microbe-mediated iron cycling and utilization in sub-benthic ecosystems.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1992

Reynolds and Mach number effects on multielement airfoils

Experimental studies were conducted to assess Reynolds and Mach number effects on a supercritical multielement airfoil. The airfoil is representative of the stall-critical station of an advanced transport wing design. The experimental work was conducted as part of a cooperative program between the Douglas Aircraft Company and the NASA LaRC to improve current knowledge of high-lift flows and to develop a validation database with practical geometries/conditions for emerging computational methods. This paper describes results obtained for both landing and takeoff multielement airfoils (four and three-element configurations) for a variety of Mach/Reynolds number combinations up to flight conditions. Effects on maximum lift are considered for the landing configurations and effects on both lift and drag are reported for the takeoff geometry. The present test results revealed considerable maximum lift effects on the three-element landing configuration for Reynolds number variations and significant Mach number effects on the four-element airfoil.

Valarezo, Walter O.↗

NASA NTRS2015

Space Launch System Liftoff and Transition Aerodynamic Characterization in the NASA Langley 14- by 22-Foot Subsonic Wind Tunnel

A 1.75% scale force and moment model of the Space Launch System was tested in the NASA Langley Research Center 14- by 22-Foot Subsonic Wind Tunnel to quantify the aerodynamic forces that will be experienced by the launch vehicle during its liftoff and transition to ascent flight. The test consisted of two parts: the first was dedicated to measuring forces and moments for the entire range of angles of attack (0deg to 90deg) and roll angles (0 deg. to 360 deg.). The second was designed to measure the aerodynamic effects of the liftoff tower on the launch vehicle for ground winds from all azimuthal directions (0 deg. to 360 deg.), and vehicle liftoff height ratios from 0 to 0.94. This wind tunnel model also included a set of 154 surface static pressure ports. Details on the experimental setup, and results from both parts of testing are presented, along with a description of how the wind tunnel data was analyzed and post-processed in order to develop an aerodynamic database. Finally, lessons learned from experiencing significant dynamics in the mid-range angles of attack due to steady asymmetric vortex shedding are presented.

Pinier, Jeremy T.↗

NASA NTRS2016

Validation Process for LEWICE Coupled by Use of a Navier-Stokes Solver

A research project is underway at NASA Glenn to produce computer software that can accurately predict ice growth for many meteorological conditions for any aircraft surface. This report will present results from the latest LEWICE release, version 3.5. This program differs from previous releases in its ability to model mixed phase and ice crystal conditions such as those encountered inside an engine. It also has expanded capability to use structured grids and a new capability to use results from unstructured grid flow solvers. An extensive comparison of the results in a quantifiable manner against the database of ice shapes that have been generated in the NASA Glenn Icing Research Tunnel (IRT) has also been performed. This paper will show the differences in ice shape between LEWICE 3.5 and experimental data. In addition, comparisons will be made between the lift and drag calculated on the ice shapes from experiment and those produced by LEWICE. This report will also provide a description of both programs. Quantitative geometric comparisons are shown for horn height, horn angle, icing limit, area and leading edge thickness. Quantitative comparisons of calculated lift and drag will also be shown. The results show that the predicted results are within the accuracy limits of the experimental data for the majority of cases.

Wright, William B.↗

NASA NTRS2017

Validation Process for LEWICE by Use of a Navier-Stokes Solver

A research project is underway at NASA Glenn to produce computer software that can accurately predict ice growth under any meteorological conditions for any aircraft surface. This report will present results from the latest LEWICE release, version 3.5. This program differs from previous releases in its ability to model mixed phase and ice crystal conditions such as those encountered inside an engine. It also has expanded capability to use structured grids and a new capability to use results from unstructured grid flow solvers. A quantitative comparison of the results against a database of ice shapes that have been generated in the NASA Glenn Icing Research Tunnel (IRT) has also been performed. This paper will extend the comparison of ice shapes between LEWICE 3.5 and experimental data from a previous paper. Comparisons of lift and drag are made between experimentally collected data from experimentally obtained ice shapes and simulated (CFD) data on simulated (LEWICE) ice shapes. Comparisons are also made between experimentally collected and simulated performance data on select experimental ice shapes to ensure the CFD solver, FUN3D, is valid within the flight regime. The results show that the predicted results are within the accuracy limits of the experimental data for the majority of cases.

large-eddy simulations↗

NASA NTRS2017

A Revised Validation Process for Ice Accretion Codes

turbulent heat flux↗