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Performance Evaluation of Comparative Vacuum Monitoring and Piezoelectric Sensors for Structural Health Monitoring of Rotorcraft Components

The costs associated with the increasing maintenance and surveillance needs of aging structures are rising at an unexpected rate. Multi-site fatigue damage, hidden cracks in hard-to-reach locations, disbonded joints, erosion, impact, and corrosion are among the major flaws encountered in today’s extensive fleet of aging aircraft and space vehicles. Aircraft maintenance and repairs represent about a quarter of a commercial fleet’s operating costs. The application of Structural Health Monitoring (SHM) systems using distributed sensor networks can reduce these costs by facilitating rapid and global assessments of structural integrity. The use of in-situ sensors for real-time health monitoring can overcome inspection impediments stemming from accessibility limitations, complex geometries, and the location and depth of hidden damage. Reliable, structural health monitoring systems can automatically process data, assess structural condition, and signal the need for human intervention. The ease of monitoring an entire on-board network of distributed sensors means that structural health assessments can occur more often, allowing operators to be even more vigilant with respect to flaw onset. SHM systems also allow for condition-based maintenance practices to be substituted for the current time-based or cycle-based maintenance approach thus optimizing maintenance labor. The Federal Aviation Administration has conducted a series of SHM validation and certification programs intended to comprehensively support the evolution and adoption of SHM practices into routine aircraft maintenance practices. This report presents one of those programs involving a Sandia Labs-aviation industry effort to move SHM into routine use for aircraft maintenance. The Airworthiness Assurance NDI Validation Center (AANC) at Sandia Labs, in conjunction with Sikorsky, Structural Monitoring Systems Ltd., Anodyne Electronics Manufacturing Corp., Acellent Technologies Inc., and the Federal Aviation Administration (FAA) carried out a trial validation and certification program to evaluate Comparative Vacuum Monitoring (CVM) and Piezoelectric Transducers (PZT) as a structural health monitoring solution to specific rotorcraft applications. Validation tasks were designed to address the SHM equipment, the health monitoring task, the resolution required, the sensor interrogation procedures, the conditions under which the monitoring will occur, the potential inspector population, adoption of CVM and PZT systems into rotorcraft maintenance programs and the document revisions necessary to allow for their routine use as an alternate means of performing periodic structural inspections. This program addressed formal SHM technology validation and certification issues so that the full spectrum of concerns, including design, deployment, performance and certification were appropriately considered. Sandia Labs designed, implemented, and analyzed the results from a focused and statistically relevant experimental effort to quantify the reliability of a CVM system applied to Sikorsky S-92 fuselage frame application and a PZT system applied to an S-92 main gearbox mount beam application. The applications included both local and global damage detection assessments. All factors that affect SHM sensitivity were included in this program: flaw size, shape, orientation and location relative to the sensors, as well as operational and environmental variables. Statistical methods were applied to performance data to derive Probability of Detection (POD) values for SHM sensors in a manner that agrees with current nondestructive inspection (NDI) validation requirements and is acceptable to both the aviation industry and regulatory bodies. The validation work completed in this program demonstrated the ability of both CVM and PZT SHM systems to detect cracks in rotorcraft components. It proved the ability to use final system response parameters to provide a Green Light/Red Light (“GO” – “NO GO”) decision on the presence of damage. In additional to quantifying the performance of each SHM system for the trial applications on the S-92 platform, this study also identified specific methods that can be used to optimize damage detection, guidance on deployment scenarios that can affect performance and considerations that must be made to properly apply CVM and PZT sensors. These results support the main goal of safely integrating SHM sensors into rotorcraft maintenance programs. Additional benefits from deploying rotorcraft Health and Usage Monitoring Systems (HUMS) may be realized when structural assessment data, collected by an SHM system, is also used to detect structural damage to compliment the operational environment monitoring. The use of in-situ sensors for health monitoring of rotorcraft structures can be a viable option for both flaw detection and maintenance planning activities. This formal SHM validation will allow aircraft manufacturers and airlines to confidently make informed decisions about the proper utilization of CVM and PZT technology. It will also streamline future regulatory actions and formal certification measures needed to assure the safe application of SHM solutions.

42 ENGINEERING↗

Flexible Data and Frame Synchronization Structure for the LunaNet PNT Signal

A LunaNet Lunar Augmented Navigation Service (LANS) is being developed to enable a position, navigation, and timing service for future Lunar operations. The signal includes two components. An in-phase data channel signal is spread by a 1.023 MCPS ranging code that provides a high-rate data message at 250 bps and is encoded by a strong Low Density Parity Check (LDPC) code. A pilot channel with a 5.115 MCPS spreading code is also provided. The pilot code is configured with a secondary (overlay) code that does not currently provide absolute time or frame Synchronization as is the case for L1C. This work shows the advantage of implementing an overlay structure that provides absolute time for the LunaNet LANS signal structure known as the Augmented Forward Signal (AFS). The LunaNet AFS structure was developed to service two classes of user receivers. The first class is a low-complexity user receiver that only receives the 1.023 MCPS signal and does not use the 5.115 MCPS pilot channel. For this class of user, a data frame Sync word is needed. The second class of receiver is a high-end receiver that can processes both data and pilot channels to take advantage of the higher chip rate pilot channel for enhanced robustness and improved accuracy. In the current draft LunaNet LANS AFS design, these users must employ the frame Sync word in the data channel and obtain absolute time after decoding the AFS navigation message. The signal structure would greatly benefit from the addition of a pilot overlay structure that provides absolute time and robust frame Sync for high-end users as done for L1C. To provide a more robust and interoperable AFS structure, this work summarizes a study and recommends alternatives for a new overlay code on the pilot channel that provides absolute time and a Sync word approach on the data channel. The overlay code and Sync word are designed to allow for flexible and robust data synchronization for both low- complexity and high-end user receivers. The new overlay code structure permits frame synchronization performance that is as good as or better than the L1 C signal, while enabling a determination of absolute time upon frame Sync to aid high-end assisted LANS AFS user receivers at low signal to noise levels. We also present the design of rate-matched 5G new radio (5GNR) LDPC codes that fit within the current 6000-symbol frame size along with a time of interval (TOI) word, frame ID (FID) word, and the remaining LunaNet AFS data message blocks. The paper describes and demonstrates robust frame Synchronization performance of the overlay code and Synch word approaches. The results are described in terms of probability of missed detection and probability of false alarm for a correct frame Synchronization at low Eb/No levels expected for decoding the TOI word and LDPC encoded data. Advantages of the proposed data Synchronization structure will be described along with use cases for low-end and high-end receivers. Practical implementation considerations will also be described.

LunaNet↗

Flexible Data and Frame Synchronization Structure for the LunaNet PNT Signal

A LunaNet Lunar Augmented Navigation Service (LANS) is being developed to enable a position, navigation, and timing service for future Lunar operations [1]. The signal includes two components. An in-phase data channel signal is spread by a 1.023 MCPS ranging code that provides a high-rate data message at 250 bps and is encoded by a strong Low Density Parity Check (LDPC) code. A pilot channel with a 5.115 MCPS spreading code is also provided. The pilot code is configured with a secondary (overlay) code that does not currently provide absolute time or frame Synchronization as is the case for L1C [2] [3]. This work shows the advantage of implementing an overlay structure that provides absolute time for the LunaNet LANS signal structure known as the Augmented Forward Signal (AFS). The LunaNet AFS structure was developed to service two classes of user receivers. The first class is a low-complexity user receiver that only receives the 1.023 MCPS signal and does not use the 5.115 MCPS pilot channel. For this class of user, a data frame Sync word is needed. The second class of receiver is a high-end receiver that can processes both data and pilot channels to take advantage of the higher chip rate pilot channel for enhanced robustness and improved accuracy. In the current draft LunaNet LANS AFS design, these users must employ the frame Sync word in the data channel and obtain absolute time after decoding the AFS navigation message [2]. The signal structure would greatly benefit from the addition of a pilot overlay structure that provides absolute time and robust frame Sync for high-end users as done for L1C [3]. To provide a more robust and interoperable AFS structure, this work summarizes a study and recommends alternatives for a new overlay code on the pilot channel that provides absolute time and a Sync word approach on the data channel. The overlay code and Sync word are designed to allow for flexible and robust data synchronization for both low- complexity and high-end user receivers. The new overlay code structure permits frame synchronization performance that is as good as or better than the L1 C signal, while enabling a determination of absolute time upon frame Sync to aid high-end assisted LANS AFS user receivers at low signal to noise levels. We also present the design of rate-matched 5G new radio (5GNR) LDPC codes that fit within the current 6000-symbol frame size along with a time of interval (TOI) word, frame ID (FID) word, and the remaining LunaNet AFS data message blocks. The paper describes and demonstrates robust frame Synchronization performance of the overlay code and Synch word approaches. The results are described in terms of probability of missed detection and probability of false alarm for a correct frame Synchronization at low Eb/No levels expected for decoding the TOI word and LDPC encoded data. Advantages of the proposed data Synchronization structure will be described along with use cases for low-end and high-end receivers. Practical implementation considerations will also be described.

Philip Dafesh↗

Implications of new gravity data for Baikal Rift zone structure

Newly available, 2D Bouguer gravity anomaly data from the Baikal Rift zone, Siberia, indicate that this discrete, intracontinental rift system is regionally compensated by an elastic plate about 50 km thick. However, spectral and spatial domain analyses and isostatic anomaly calculations show that simple elastic plate theory does not offer an adequate explanation for compensation in the rift zone, probably because of significant lateral variations in plate strength and the presence of subsurface loads. Our results and other geophysical observations support the interpretation that the Baikal Rift zone is colder than either the East African or Rio Grande rift.

Ruppel, C.↗

Replication Data for: Latent Representation Learning for Structural Characterization of Catalysts

The data underlying this published work have been made publicly available in this repository as part of the IMASC Data Management Plan. This work was supported as part of the Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-SC0012573.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A farewell to arms: using X-ray synchrotron imaging to investigate autotomy in brittle stars

Autotomy, the self-induced loss of a body structure, occurs in every living class of echinoderms and is related to the remarkable regeneration capabilities of the group. It is particularly prevalent in brittle stars (Class Ophiuroidea). Autotomy is facilitated by mutable collagenous tissue (MCT), which undergoes nervous system-mediated changes in tensile stiffness, tensile strength, and viscosity. Previous investigations of autotomy have been based on observations of the external surface, surgical manipulation of internal structures, or data on the morphology of structures post-autotomy. We used fast phase-contrast X-ray synchrotron imaging to visualize full autotomy events in vivo in the arms of specimens of the brittle star Ophioderma brevispina . This method requires no chemical or surgical manipulation and enabled us to identify several key stages in the autotomy process. We used this methodology to observe critical changes within the internal structure of the arm as it transitions from a functional mechanical apparatus to a dysfunctional disarticulated state. This method is the first in which the full intersegmental plane of the arm can be observed during autotomy. In conclusion, it can be applied to visualize autotomy and motion in vivo in other brittle star taxa, as well as in other groups such as asteroids and arthropods.

59 BASIC BIOLOGICAL SCIENCES↗

Short Intramolecular O···O Contact in Some o -Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area

Statistical analysis of data extracted from the Cambridge Structural Database (CSD) has been used to investigate the crystal structure properties of odialkoxybenzene derivatives, compounds containing two ether oxygen acceptors in ortho positions of benzene ring. It has been shown that in more than 90% of cases, the fragment has predictable geometrical characteristics where the two ether oxygens form short interatomic O center dot center dot center dot O contact (2.57 A in average), while O-substitutents take trans position, both approximately coplanar with the benzene ring. Such arrangement of oxygen acceptors produces a large and uniform area of the negative electrostatic potential suitable for multiple hydrogen bonding. The acceptor abilities of the O center dot center dot center dot O system have been investigated by the statistical CSD analysis. The ab initio estimation of the interaction energy in the dimer of o-dimethoxybenzene (DMB) and H2O, employed as a model system, is achieved via high-level electron correlation CCSD(T) calculation with the complete basis set extrapolation. The interaction energy is estimated to be 6.5 kcal/mol. The results indicate the existence of a very flat potential the region between methoxy oxygens and that DMB water is a highly flexible system. The structural role of the O center dot center dot center dot O acceptor system is particularly interesting considering its ability to form multiple hydrogen bonding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Observational constraints on early dark energy

In this paper, we review and update constraints on the Early Dark Energy (EDE) model from cosmological data sets, in particular Planck PR3 and PR4 cosmic microwave background (CMB) data and large-scale structure (LSS) data sets including galaxy clustering and weak lensing data from the Dark Energy Survey, Subaru Hyper Suprime-Cam and KiDS+VIKING-450, as well as BOSS/eBOSS galaxy clustering and Lyman-[Formula: see text] forest data. We detail the fit to CMB data, and perform the first analyses of EDE using the CAMSPEC and Hillipop likelihoods for Planck CMB data, rather than Plik, both of which yield a tighter upper bound on the allowed EDE fraction than that found with Plik. We then supplement CMB data with LSS data in a series of new analyses. All these analyses are concordant in their Bayesian preference for [Formula: see text]CDM over EDE, as indicated by marginalized posterior distributions. We perform a series of tests of the impact of priors in these results, and compare with frequentist analyses based on the profile likelihood, finding qualitative agreement with the Bayesian results. All these tests suggest prior volume effects are not a determining factor in analyses of EDE. This work provides both a review of existing constraints and several new analyses.

Astronomy & Astrophysics↗

COMPASS-FME Terrestrial Ecosystem Manipulation to Probe the Effects of Storm Treatments (TEMPEST) Experiment Level 2 Sensor Data v2-1

This is the version v2-1 Level 2 (L2) data release for COMPASS-FME environmental sensors located at our Terrestrial Ecosystem Manipulation to Probe the Effects of Storm Treatments (TEMPEST) experimental site. This manipulative, ecosystem-scale TEMPEST experiment addresses the potential for freshwater and estuarine-water disturbance events to alter tree function, species composition, and ecosystem processes in a deciduous coastal forest in MD, USA. The experiment uses a large-unit (2000 m2), un-replicated experimental design, with three 50 m × 40 m plots serving as control, freshwater, and estuarine-water treatments. Level 2 (L2) data consist of sensor observations from the COMPASS-FME synoptic sites, TEMPEST, and DELUGE. Compared to the L1 data, these are more consistent (always 15-minute timestamps for the entire year); better QA/QC’d (out of bounds, out of service, and extreme outlier values are removed); and more complete, with a gap-filled time series available alongside the main observations, and additional derived (calculated) variables. L2 data are intended to be rapidly and easily usable in analyses and simulations. However, algorithmic outlier identification always carries the risk of removing valid data, and Level 1 data may be more suitable for analyses that focus on variability or extreme events. This dataset includes: - An overall dataset README file that describes the current version, gives citation and contact information, etc. - Site- and year-specific folders, each holding variable-specific Parquet (a high performance, space efficient format; see https://parquet.apache.org) data files for each site and plot in that year. - Metadata files within each site-year folder provide full information on data units, expected ranges, contact information, detailed flood times, as well as a general description of the site. - Environmental sensor types that appear in the data files include weather (ClimaVUE50, CS, RM Young, and LI instruments in the graphs below); soil conditions (TEROS12); soil redox state (Redox); groundwater variables (AquaTROLL200 and AquaTROLL600); open water sondes (Exo); tree sap velocity (Sapflow); and system voltage and state (Datalogger). Data are reported every 15 minutes. Please see v2-1 TEMPEST L2 Sensor Package Quick Start.pdf for detailed information on data package structure, temporal coverage, and versioning. Data files are in Apache Parquet, a high performance, space efficient format for tabular data. These files can be read using R's `arrow` package (https://arrow.apache.org/docs/r/), with similar tools available in other languages. The TEMPEST flood events occurred on the following dates. They lasted for ~10 hours each day and delivered ~80,000 gallons to each plot; many data streams are available at 1 or 5 minute frequency during these periods. * Tests: Aug 25 (fresh plot) and Sep 9 (salt plot), 2021 * TEMPEST 1: June 22, 2022 * TEMPEST 2: June 6-7, 2023 * TEMPEST 3: June 11-13, 2024

EARTH SCIENCE > ATMOSPHERE > ATMOSPHERIC TEMPERATU↗

Interactive systems analysis of four structural concepts for a Land Mobile Satellite System

Weight and structural analysis data were generated for four structural concepts for a Land Mobile Satellite System (LMSS) using the Interactive Design and Evaluation of Advanced Spacecraft (IDEAS) computer-aided design and analysis program. Structural concepts analyzed included the wrapped radial rib, box ring, tetrahedral truss, and hoop column. Estimates of total spacecraft weight, structural natural frequencies and modal shapes were determined and compared for several loading conditions for each concept. Spacecraft-induced and environmental effects on antenna performance (surface accuracy, defocus and boresight offset) are quantified.

Ferebee, M. J., Jr.↗

Synthesis of regional crust and upper-mantle structure from seismic and gravity data

Analyses of regional gravity and magnetic patterns, LANDSAT images and geological information revealed two major lineaments crossing western Pennsylvania and parts of surrounding states. These lineaments are inferred to be expressions of fracture zones which penetrare deeply into the crust and possibly the upper mantle. The extensions of the Tyron-Mt. Union and the Pittsburgh-Washington lineaments bound a distinct crustal block (Lake Erie-Maryland block) over 100 km wide and probably more than 600 km in length. Evidence exists for the lateral displacement of this block at least 60 km northwestward during late Precambrian to Lower Ordovician time. Subsequent movements have been mainly vertical with respect to neighboring blocks. A possible crustal block that passes through eastern Kentucky, proposed by a TVA study on tectonics in the southern Appalachians, was also investigated. Finally, the use of regional gravity and magnetic data in identifying major crustal structures beneath western Pennsylvania is discussed.

Alexander, S. S.↗

The 15 meter hoop-column antenna dynamics: Test and analysis

A 15 meter model of the hoop-column antenna concept has been vibration tested for model characterization and analytical model verification. Linear finite element analysis predicted the global vibration frequencies accurately. Good agreement between analysis and test data was obtained only after the analytical model was refined using static test data. As structures become more flexible, structural properties determined from static data become more accurate and should be used to update analytical models. Global vibration modes are not significantly affected by the surface mesh which permits simplified analytical models to be used for prediction of global behavior. These reduced models are believed sufficient for preliminary design and controls simulations where only global behavior is desired. The mesh modes were highly damped due to the knit mesh used for the reflector surface. These modes were also highly coupled and very difficult to measure in the laboratory. The inability to fully characterize the antenna mesh modes in the laboratory indicates robust methods for active surface vibration suppression will be needed. Fortunately, the surface mesh exhibits high passive damping which should be beneficial to active control systems.

Belvin, W. Keith↗

Graphical Visualization of Human Exploration Capabilities

NASA's pioneering space strategy will require advanced capabilities to expand the boundaries of human exploration on the Journey to Mars (J2M). The Evolvable Mars Campaign (EMC) architecture serves as a framework to identify critical capabilities that need to be developed and tested in order to enable a range of human exploration destinations and missions. Agency-wide System Maturation Teams (SMT) are responsible for the maturation of these critical exploration capabilities and help formulate, guide and resolve performance gaps associated with the EMC-identified capabilities. Systems Capability Organization Reporting Engine boards (SCOREboards) were developed to integrate the SMT data sets into cohesive human exploration capability stories that can be used to promote dialog and communicate NASA's exploration investments. Each SCOREboard provides a graphical visualization of SMT capability development needs that enable exploration missions, and presents a comprehensive overview of data that outlines a roadmap of system maturation needs critical for the J2M. SCOREboards are generated by a computer program that extracts data from a main repository, sorts the data based on a tiered data reduction structure, and then plots the data according to specified user inputs. The ability to sort and plot varying data categories provides the flexibility to present specific SCOREboard capability roadmaps based on customer requests. This paper presents the development of the SCOREboard computer program and shows multiple complementary, yet different datasets through a unified format designed to facilitate comparison between datasets. Example SCOREboard capability roadmaps are presented followed by a discussion of how the roadmaps are used to: 1) communicate capability developments and readiness of systems for future missions, and 2) influence the definition of NASA's human exploration investment portfolio through capability-driven processes. The paper concludes with a description of planned future work to modify the computer program to include additional data and of alternate capability roadmap formats currently under consideration.

Rodgers, Erica M.↗

Terrestrial laser scanning data (Levels 0 and 1) for Pasoh, Malaysia, Sep 2024

This data package contains data from terrestrial laser scanning (TLS) at the Pasoh Forest Reserve, Malaysia. The Pasoh Forest Reserve is a facility of the Forest Research Institute Malaysia, and contains evergreen lowland dipterocarp forest. The Next-Generation Ecosystem Experiments Tropics (NGEE-Tropics) study areas at Pasoh were established to study how different species respond to climatic variation and soil water availability. Two study areas were chosen representing different topography and species. The TLS data archived here were collected to provide detailed, three-dimensional information about forest structure. Specifically, data were collected to allow tree-level characterization of woody structure and leaf area for 12 focal trees with FloraPulse and sap flux sensors, facilitating estimation of woody biomass and leaf area to allow upscaling of water content and transpiration data to the tree-level. Scan positions were not selected to provide consistent data for non-focal trees with the study areas. This data package contains the following data: - High-level files document further details of the campaign and data package: 1_CampaignSummary.csv provides details about the campaign and study site, 2_ScanAreasDetail.csv provides details about each separate scan area (groups of scans post-processed into a single point cloud), 3_TerrestrialLidarSensor.csv provides further technical details about the Riegl VZ-400i TLS sensor, TLS_CSV_dd.csv is a CSV Data Dictionary providing information about the fields in CSV files following the ESS-DIVE CSV File Formatting Guidelines Reporting Format, TLS_flmd.csv is a File Level Metadata file providing information about each file in the data package following the ESS-DIVE File Level Metadata Reporting Format, and README.txt is a text file describing the overall project and file structure. - Level 0 data are the raw data (.PROJ folders) as recorded by the Riegl VZ-400i TLS instrument before scan co-registration and post-processing with the Riegl's proprietary RiSCAN PRO software, which requires a license. - Level 1 data contain post-processed, co-registered data from each scan area. The "PointClouds" folder for each scan area contains a .las file with 1 cm resolution point cloud data exported from RiSCAN PRO. These are the main files likely to be of interest to most users and can be further processed with any software capable of manipulating .las files (e.g. Python, R CloudCompare). The "Project Information" folder contains log files from post-processing in RiSCAN PRO that may be of interest to users who want to see detailed records of post-processing, including all PDF reports generated by RiSCAN PRO. The "ScanPositions" folder contains information about the final position of all TLS scans, after post-processing, in multiple formats. The file ScanPositions_*.csv provides final geo-referenced scan positions, and the file SOP_backup_*.csv can be used in RiSCAN PRO to restore the co-registered scan positions if users wish to re-process raw data (Level 0 .PROJ folders) with RiSCAN PRO software (e.g., subsample to a different resolution, exclude a certain scan position, or apply different filters on reflectance or deviation values) without redoing time-consuming co-registration steps.

54 ENVIRONMENTAL SCIENCES↗

Terrestrial laser scanning data (Levels 0 and 1) from Urban Biogeochemistry Pilot Project sites, Knoxville, Tennessee, Jul 2024 - Jul 2025

This data package contains data from terrestrial laser scanning (TLS) at five urban park sites in Knoxville, Tennessee, USA. All parks include open-grown and/or closed-canopy trees and mixed nearby land use. These study sites were established as part of the Urban Biogeochemistry Pilot Project, which has an overall goal of better understanding how hydrobiogeochemical cycling is altered within the human environment. These five sites represent a gradient of urbanization, and were instrumented to understand hydrological and biogeochemical cycling (e.g., soil moisture, soil physical properties and biogeochemistry, tree transpiration, species type). The TLS data archived here were collected to provide detailed, three-dimensional information about forest structure. Specifically, data were collected to allow tree- and stand-level characterization of woody structure and leaf area. TLS scans were placed to capture the area around trees with sap flow sensors, and as much of a 50 m radius area around the meteorological station as possible given site property limits. Derived products will allow upscaling of water content and transpiration data. This data package contains the following data: - High-level files document further details of the campaign and data package: 1_CampaignSummary.csv provides details about the campaign and study site, 2_ScanAreasDetail.csv provides details about each separate scan area (groups of scans post-processed into a single point cloud), 3_TerrestrialLidarSensor.csv provides further technical details about the Riegl VZ-400i TLS sensor, TLS_CSV_dd.csv is a CSV Data Dictionary providing information about the fields in CSV files following the ESS-DIVE CSV File Formatting Guidelines Reporting Format, TLS_flmd.csv is a File Level Metadata file providing information about each file in the data package following the ESS-DIVE File Level Metadata Reporting Format, and README.txt is a text file describing the overall project and file structure. - Level 0 data are the raw data (.PROJ folders) as recorded by the Riegl VZ-400i TLS instrument before scan co-registration and post-processing with the Riegl's proprietary RiSCAN PRO software, which requires a license. - Level 1 data contain post-processed, co-registered data from each scan area. The "PointClouds" folder for each scan area contains a .las file with 1 cm resolution point cloud data exported from RiSCAN PRO. These are the main files likely to be of interest to most users and can be further processed with any software capable of manipulating .las files (e.g. Python, R CloudCompare). The "Project Information" folder contains log files from post-processing in RiSCAN PRO that may be of interest to users who want to see detailed records of post-processing, including all PDF reports generated by RiSCAN PRO. The "ScanPositions" folder contains information about the final position of all TLS scans, after post-processing, in multiple formats. The file ScanPositions_*.csv provides final geo-referenced scan positions, and the file SOP_backup_*.csv can be used in RiSCAN PRO to restore the co-registered scan positions if users wish to re-process raw data (Level 0 .PROJ folders) with RiSCAN PRO software (e.g., subsample to a different resolution, exclude a certain scan position, or apply different filters on reflectance or deviation values) without redoing time-consuming co-registration steps.

54 ENVIRONMENTAL SCIENCES↗

A materials data framework and dataset for elastomeric foam impact mitigating materials

The availability of materials data for impact-mitigating materials has lagged behind applications-based data. For example, data describing on-field helmeted impacts are available, whereas material behaviors for the constituent impact-mitigating materials used in helmet designs lack open datasets. Here, we describe a new FAIR (findable, accessible, interoperable, reusable) data framework with structural and mechanical response data for one example elastic impact protection foam. The continuum-scale behavior of foams emerges from the interplay of polymer properties, internal gas, and geometric structure. This behavior is rate and temperature sensitive, therefore, describing structure-property characteristics requires data collected across several types of instruments. Data included are from structure imaging via micro-computed tomography, finite deformation mechanical measurements from universal test systems with full-field displacement and strain, and visco-thermo-elastic properties from dynamic mechanical analysis. These data facilitate modeling and design efforts in foam mechanics, e.g., homogenization, direct numerical simulation, or phenomenological fitting. The data framework is implemented using data services and software from the Materials Data Facility of the Center for Hierarchical Materials Design.

36 MATERIALS SCIENCE↗

Refining perovskite structures to pair distribution function data using collective Glazer modes as a basis

Structural modelling of octahedral tilts in perovskites is typically carried out using the symmetry constraints of the resulting space group. In most cases, this introduces more degrees of freedom than those strictly necessary to describe only the octahedral tilts. It can therefore be a challenge to disentangle the octahedral tilts from other structural distortions such as cation displacements and octahedral distortions. This paper reports the development of constraints for modelling pure octahedral tilts and implementation of the constraints in diffpy-CMI, a powerful package to analyse pair distribution function (PDF) data. The model in the program allows features in the PDF that come from rigid tilts to be separated from non-rigid relaxations, providing an intuitive picture of the tilting. The model has many fewer refinable variables than the unconstrained space group fits and provides robust and stable refinements of the tilt components. It further demonstrates the use of the model on the canonical tilted perovskite CaTiO 3 which has the known Glazer tilt system α + β – β – . The Glazer model fits comparably to the corresponding space-group model Pnma below r = 14 Å and becomes progressively worse than the space-group model at higher r due to non-rigid distortions in the real material.

36 MATERIALS SCIENCE↗