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At least 1,765 records · Page 98

Understanding amyloids to prevent biofilm formation in space

There is a pressing need to search for novel approaches to combat biofilm formation, both in space and in medical applications. Many proteins have the ability to form ordered aggregates called amyloids. Amyloids are known to be an important part of biofilms. The use of anti-amyloid drugs is a novel venue for the development of antimicrobial agents. The ultrastructure of the amyloid aggregate shows a high packing of proteins, the second-order structure of which is dominated by β-sheets. The ability to form an amyloid aggregate is especially typical for proteins containing domains (protein fragments) with sufficient lability to arrange themselves in a tight β-sheet structure. Bioinformatics tools allow the prediction of such behavior of proteins in genomic data. We use GeneLab data of microbial populations identified aboard the International Space Station and other spacecraft to look for bacterial species that utilize amyloid aggregation in biofilm formation. We use a combined bioinformatic approach with a relatively high throughput molecular biology assay and biophysical assays to evaluate the anti-amyloid anti-biofilm approach. The significance of the research extends from understanding basic microbial community responses to spaceflight, to biofouling of the built environments in space as well as the long-term health of astronauts. Bioinformatics shows that onboard the ISS, bacterial species produce far more amyloid and prion proteins than are currently verified, hence their role in bacterial ecosystems is largely unknown. As we propose there is a link between amyloid formation in space and biofilm production, this research should lead to new paths for biofilm remediation in space.

Tomasz Zajkowski↗

Comparing Two Statistical Models for Low Boom Dose-response Relationships with Correlated Responses

This study compares two statistical modeling approaches to construct summary dose-response curves for low boom community noise surveys. NASA field survey data were used that consist of multiple responses from a survey participant. These data require an approach that accounts for the correlation among repeated annoyance observations from the same participant. A multilevel model accounts for the correlation by allowing estimated parameters to vary with each survey participant. On the other hand, a population average model utilizes generalized estimating equations and accounts for the correlation via a user-specified within-subject correlation structure. A visual comparison of the dose-response curves for these two methods reveals similar results. When comparing specific points along the summary curves, the multilevel model yields more precise confidence bounds than the population average model. The similarity between the summary curves derived from each model lends validity to both approaches for approximating a population representative summary curve.

X-59↗

The Earth Observing System (EOS)

The Earth Observing System is a US National Aeronautics and Space Administration (NASA) program consisting of a science segment, a data system, and a space segment made up of a series of polar-orbiting and mid-inclination satellites for long-term monitoring of the Earth as an integrated system, including observations of the land surface, biosphere, atmosphere, cryosphere, and oceans. Initially conceived in the mid-late 1980s, it was implemented as a series of large "flagship" missions and smaller focused satellites, often in partnership with instruments and sometimes spacecraft from other nations. In 1984 NASA formed several instrument panels to develop concepts for “facility instruments” that would provide comprehensive support to the scientific and applications’ communities, each with a supporting science team competitively selected via peer-review. An Announcement of Opportunity was released in 1988 and proposals were solicited for three types of proposals: (i) instrument investigations that would include the provision of instrumentation for flight on a polar platform, including non-Earth science payloads requiring polar orbits (PI instruments), (ii) research facility instrument team member and team leader investigations for facility instruments, and (iii) interdisciplinary science investigations to provide data analysis and modeling, preparing to use data acquired from the space platforms. The initial selections made in 1989 included support for 24 instrument investigations, 6 research facility instrument investigations, and 28 interdisciplinary investigations. Although considerable changes were made over the years in the structure and orbital configuration of the various instruments and platforms, a total of 10 different missions were eventually flown, as shown in Fig. 1. These included three multiinstrument flagship platforms known as Terra (launched in 1999), Aqua (launched in 2002), and Aura (launched in 2004), where the Terra mission emphasis was primarily on land processes, Aqua on the hydrological cycle, and Aura on atmospheric chemistry. In addition to these flagship missions the EOS missions included Landsat 7 (land cover classification and change), QuikScat (wind speed and direction over the oceans), Jason-1 (ocean surface topography and sea level), ACRIMSAT (total solar irradiance (TSI)), SAGE III (stratospheric aerosol and ozone levels), ICESat (ice, cloud, and land elevation), and SORCE (Solar Radiation and Climate Experiment; total and spectral solar irradiance). In addition EOS supported CERES (an Earth radiation budget sensor) and LIS (a lightning sensor), that flew as part of the NASA/JAXA Tropical Rainfall Measuring Mission (1997), and SeaWinds (wind speed and direction), that flew as part of the short-lived ADEOS II (Midori II, 2002) mission of JAXA (Japan Aerospace Exploration Agency). The EOS contributions are too numerous to present in detail in this article, but can be viewed for convenience as a means of obtaining global measurements (with appropriate characteristics) of the 24 variables and variable groups listed in Table 1. This table was created by the EOS community in the late 1990s as a way to succinctly indicate which instruments on the various EOS platforms were expected to contribute to each of the specified variables in primary (bold), secondary (bold italics), or contributing (roman) roles. All of the science data products produced by these space missions are available without charge throughout the world, and are thus highly valued for their many contributions to applications such as air quality, fires, land cover change, and the state of the oceans, as well as for science and monitoring of the state of the Earth system and its changes over time. These and other international satellites have played a crucial role in understanding and documenting global change, including (i) global surface temperature and atmospheric temperature and water vapor profiles, (ii) glacial retreat, (iii) sea ice extent and change, (iv) solar radiation into and out of the Earth-atmosphere system, (v) atmospheric aerosol and cloud properties, (vi) sources and sinks of

ICESat↗

Computing virtual dark-field X-ray microscopy images of complex discrete dislocation structures from large-scale molecular dynamics simulations

Dark-field X-ray microscopy (DFXM) is a novel diffraction-based imaging technique that non-destructively maps the local deformation from crystalline defects in bulk materials. While studies have demonstrated that DFXM can spatially map 3D defect geometries, it is still challenging to interpret DFXM images of the high-dislocation-density systems relevant to macroscopic crystal plasticity. This work develops a scalable forward model to calculate virtual DFXM images for complex discrete dislocation structure(s) (DDS) obtained from atomistic simulations. Our new DDS-DFXM model integrates a non-singular formulation for calculating the local strain from the DDS and an efficient geometrical optics algorithm for computing the DFXM image from the strain field. We apply the model to complex DDS obtained from a large-scale mol­ecular dynamics simulation of compressive loading on single-crystal silicon. Simulated DFXM images exhibit prominent contrast for dislocation features between the multiple slip systems, demonstrating the potential of DFXM to resolve features from dislocation multiplication. In conclusion, the integrated DDS-DFXM model provides a toolbox for DFXM experimental design and image interpretation in the context of bulk crystal plasticity for a range of measurements across shock plasticity and the broader materials science community.

X-ray imaging↗

Bayesian Adaptive Polynomial Chaos Expansions

Polynomial chaos expansions (PCEs) are widely used for uncertainty quantification (UQ) tasks, particularly in the applied mathematics community. However, PCE has received comparatively less attention in the statistics literature, and fully Bayesian formulations remain rare—especially with implementations in R. Motivated by the success of adaptive Bayesian machine learning models such as BART, BASS and BPPR, we develop a new fully Bayesian adaptive PCE method with an efficient and accessible R implementation: khaos. Our approach includes a novel proposal distribution that enables data-driven interaction selection and supports a modified g-prior tailored to PCE structure. Through simulation studies and real-world UQ applications, we demonstrate that the Bayesian adaptive PCE provides competitive performance for surrogate modeling, global sensitivity analysis and ordinal regression tasks.

97 MATHEMATICS AND COMPUTING↗

The three major axes of terrestrial ecosystem function

The leaf economics spectrum and the global spectrum of plant forms and functions revealed fundamental axes of variation in plant traits, which represent different ecological strategies that are shaped by the evolutionary development of plant species. Ecosystem functions depend on environmental conditions and the traits of species that comprise the ecological communities. However, the axes of variation of ecosystem functions are largely unknown, which limits our understanding of how ecosystems respond as a whole to anthropogenic drivers, climate and environmental variability. Here we derive a set of ecosystem functions from a dataset of surface gas exchange measurements across major terrestrial biomes. We find that most of the variability within ecosystem functions (71.8%) is captured by three key axes. The first axis reflects maximum ecosystem productivity and is mostly explained by vegetation structure. The second axis reflects ecosystem water-use strategies and is jointly explained by variation in vegetation height and climate. The third axis, which represents ecosystem carbon-use efficiency, features a gradient related to aridity, and is explained primarily by variation in vegetation structure. We show that two state-of-the-art land surface models reproduce the first and most important axis of ecosystem functions. However, the models tend to simulate more strongly correlated functions than those observed, which limits their ability to accurately predict the full range of responses to environmental changes in carbon, water and energy cycling in terrestrial ecosystems.

54 ENVIRONMENTAL SCIENCES↗

Quantitative spatiotemporal mapping of thermal runaway propagation rates in lithium-ion cells using cross-correlated Gabor filtering

Abuse testing of lithium-ion batteries is widely performed in order to develop new safety standards and strategies. However, testing methodologies are not standardised across the research community, especially with failure mechanisms being inherently difficult to reproduce. High-speed X-ray radiography is proven to be a valuable tool to capture events occurring during cell failure, but the observations made remain largely qualitative. We have therefore developed a robust image processing toolbox that can quantify, for the first time, the rate of propagation of battery failure mechanisms revealed by high-speed X-ray radiography. Using Gabor filter, the toolbox selectively tracks the electrode structure at the onset of failure. This facilitated the estimation of the displacement of electrodes undergoing abuse via nail penetration, and also the tracking of objects, such as the nail, as it propagates through a cell. Further, by cross-correlating the Gabor signals, we have produced practical, illustrative spatiotemporal maps of the failure events. From these, we can quantify the propagation rates of electrode displacement prior to the onset of thermal runaway. The highest recorded acceleration (≈514 mm s -2 ) was when a nail penetrated a cell radially (perpendicular to the electrodes) as opposed to axially (parallel to the electrodes). The initiation of thermal runaway was also resolved in combination with electrode displacement, which occurred at a lower acceleration (≈108 mm s -2 ). Our assistive toolbox can also be used to study other types of failure mechanisms, extracting otherwise unattainable kinetic data. Ultimately, this tool can be used to not only validate existing theoretical mechanical models, but also standardise battery failure testing procedures.

25 ENERGY STORAGE↗

Quantifying magnetic field driven lattice distortions in kagome metals at the femto-scale using scanning tunneling microscopy

A wide array of unusual phenomena has recently been uncovered in kagome solids. The charge density wave (CDW) state in the kagome superconductor AV 3 Sb 5 , in particular, intrigued the community; the CDW phase appears to break the time-reversal symmetry despite the absence of spin magnetism, which has been tied to exotic orbital loop currents possibly intertwined with magnetic field tunable crystal distortions. To test this connection, precise determination of the lattice response to an applied magnetic field is crucial but can be challenging at the atomic scale. We establish a scanning tunneling microscopy (STM) based method to study the evolution of the AV 3 Sb 5 atomic structure as a function of magnetic field. The method substantially reduces the errors of typical STM measurements, which are at the order of 1% when measuring an in-plane lattice constant change. Here, we find that the out-of-plane lattice constant of AV 3 Sb 5 remains unchanged (within 10 —6 ) by the application of both in-plane and out-of-plane magnetic fields. We also reveal that the in-plane lattice response to magnetic field is at most at the order of 0.05%. Our experiments provide further constraints on time-reversal symmetry breaking in kagome metals and establish a tool for higher-resolution extraction of the field-lattice coupling at the nanoscale applicable to other quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE JGI Metagenome Workflow

The DOE Joint Genome Institute (JGI) Metagenome Workflow performs metagenome data processing, including assembly; structural, functional, and taxonomic annotation; and binning of metagenomic data sets that are subsequently included into the Integrated Microbial Genomes and Microbiomes (IMG/M) (I.-M. A. Chen, K. Chu, K. Palaniappan, A. Ratner, et al., Nucleic Acids Res, 49:D751–D763, 2021, https://doi.org/10.1093/nar/gkaa939) comparative analysis system and provided for download via the JGI data portal (https://genome.jgi.doe.gov/portal/). This workflow scales to run on thousands of metagenome samples per year, which can vary by the complexity of microbial communities and sequencing depth. Here, we describe the different tools, databases, and parameters used at different steps of the workflow to help with the interpretation of metagenome data available in IMG and to enable researchers to apply this workflow to their own data. We use 20 publicly available sediment metagenomes to illustrate the computing requirements for the different steps and highlight the typical results of data processing. The workflow modules for read filtering and metagenome assembly are available as a workflow description language (WDL) file (https://code.jgi.doe.gov/BFoster/jgi_meta_wdl). The workflow modules for annotation and binning are provided as a service to the user community at https://img.jgi.doe.gov/submit and require filling out the project and associated metadata descriptions in the Genomes OnLine Database (GOLD) (S. Mukherjee, D. Stamatis, J. Bertsch, G. Ovchinnikova, et al., Nucleic Acids Res, 49:D723–D733, 2021, https://doi.org/10.1093/nar/gkaa983).

59 BASIC BIOLOGICAL SCIENCES↗

Requirements and Recommendations for a Physical Attack Characterization Framework

This study seeks to identify existing frameworks or develop requirements and recommendations for a new framework that can consistently characterize physical attacks, analogous to MITRE ATT&CK®. MITRE ATT&CK is widely used across government, research organizations, and the cyber security community to characterize cyber attack tactics, techniques, and procedures (TTPs) in a consistent and commonly understood manner. While physical attack taxonomies, methodologies, and other tools for evaluating physical security do exist, many are sector and/or facility-type specific—and therefore not able to provide comparable scenarios across sectors—or are more focused on security assessment instead of the characterization of attacks themselves. A MITRE ATT&CK analog for physical attacks on critical infrastructure would provide a common language and structure for analysis of physical attacks. Existing attack characterization methodologies do not robustly address cyber-physical security risks. To fully understand a facility’s security needs, it is important to understand the entire vulnerability landscape from both a physical and a cyber perspective. To underscore this need, organizations such as the Cybersecurity and Infrastructure Security Agency (CISA) are calling for a coordinated approach to cyber and physical security, which they refer to as cyber and physical security convergence. A physical attack characterization framework that could be used jointly with MITRE ATT&CK would help support a more robust analysis in support of convergence, enabling the consistent characterization of attacks that utilize both cyber and physical tactics and techniques. This could provide analysts and stakeholders with a clearer understanding of how security mitigations deployed in the physical realm impact security risks in the cyber realm, and vice versa. In this study, the project team evaluates existing physical security taxonomies and methodologies to assess whether an existing method can be used to create a “physical half” of MITRE ATT&CK. This study then provides requirements and recommendations for a framework that can leverage aspects of existing methodologies. The goal of the final framework is for it to be widely adopted and referenced, regardless of critical infrastructure sector, facility type, or facility components. This study also identifies applicable use cases for when and how a framework could be applied across the various critical infrastructure sectors for a variety of attack types or motivations. Through a literature review of existing security-focused methodologies and taxonomies, engagement with relative stakeholders, evaluation of potential physical attack framework use cases, and subsequent identification of requirements, this study identified the following key findings and recommendations: There is a need for a new physical attack characterization framework; A physical attack framework should be interoperable with the MITRE ATT&CK framework; A physical attack framework should be broadly applicable, but with detailed tactics, techniques, and procedures that encompass the entire attack path; A physical attack framework should be based on observed or feasible events; A physical attack framework should adapt features from existing methodologies, frameworks, and taxonomies; A physical attack framework should be owned, overseen, and maintained by one organization.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Micropipet manipulation of lipid membranes: Direct measurement of the material properties of a cohesive structure that is only two molecules thick

The objectives are to demonstrate how we can make direct measurements of the mechanical properties of a special structure in biology, namely the lipid bilayer membrane, using a micromanipulation technique, and how these properties compare and contrast with 'more traditional' technological/engineering materials. Given that the investment in equipment and expertise to carry out these experiments is probably beyond the scope of most teaching labs, the described experiment is not intended as one that can actually be demonstrated in a student laboratory class. The intention behind presenting this work is to begin to raise awareness in the Material Science community about the material properties of biological material that form a new (to us) category of soft engineering materials that have dimensions on the nanoscale.

Needham, David↗

Potential of Probing the Lunar Regolith using Rover-Mounted Ground Penetrating Radar: Moses Lake Dune Field Analog Study

Probing radars have been widely recognized by the science community to be an efficient tool to explore lunar subsurface providing a unique capability to address several scientific and operational issues. A wideband (200 to 1200 MHz) Ground Penetrating Radar (GPR) mounted on a surface rover can provide high vertical resolution and probing depth from few tens of centimeters to few tens of meters depending on the sounding frequency and the ground conductivity. This in term can provide a better understand regolith thickness, elemental iron concentration (including ilmenite), volatile presence, structural anomalies and fracturing. All those objectives are of important significance for understanding the local geology and potential sustainable resources for future landing sites in particular exploring the thickness, structural heterogeneity and potential volatiles presence in the lunar regolith. While the operation and data collection of GPR is a straightforward case for most terrestrial surveys, it is a challenging task for remote planetary study especially on robotic platforms due to the complexity of remote operation in rough terrains and the data collection constrains imposed by the mechanical motion of the rover and limitation in data transfer. Nevertheless, Rover mounted GPR can be of great support to perform systematic subsurface surveys for a given landing site as it can provide scientific and operational support in exploring subsurface resources and sample collections which can increase the efficiency of the EVA activities for potential human crews as part of the NASA Constellation Program. In this study we attempt to explore the operational challenges and their impact on the EVA scientific return for operating a rover mounted GPR in support of potential human activity on the moon. In this first field study, we mainly focused on the ability of GPR to support subsurface sample collection and explore shallow subsurface volatiles.

Horz, F.↗

Lessons Learned in the Selection and Development of Test Cases for the Aeroelastic Prediction Workshop: Rectangular Supercritical Wing

The Aeroelastic Prediction Workshop brought together an international community of computational fluid dynamicists as a step in defining the state of the art in computational aeroelasticity. The Rectangular Supercritical Wing (RSW) was chosen as the first configuration to study due to its geometric simplicity, perceived simple flow field at transonic conditions and availability of an experimental data set containing forced oscillation response data. Six teams performed analyses of the RSW; they used Reynolds-Averaged Navier-Stokes flow solvers exercised assuming that the wing had a rigid structure. Both steady-state and forced oscillation computations were performed by each team. The results of these calculations were compared with each other and with the experimental data. The steady-state results from the computations capture many of the flow features of a classical supercritical airfoil pressure distribution. The most dominant feature of the oscillatory results is the upper surface shock dynamics. Substantial variations were observed among the computational solutions as well as differences relative to the experimental data. Contributing issues to these differences include substantial wind tunnel wall effects and diverse choices in the analysis parameters.

Heeg, Jennifer↗

The NASA AfriSAR Campaign: Airborne SAR and Lidar Measurements of Tropical Forest Structure and Biomass in Support of Current and Future Space Missions

In 2015 and 2016, the AfriSAR campaign was carried out as a collaborative effort among international space and National Park agencies (ESA, NASA, ONERA, DLR, ANPN and AGEOS) in support of the upcoming ESA BIOMASS, NASA-ISRO Synthetic Aperture Radar (NISAR) and NASA Global Ecosystem Dynamics Initiative (GEDI) missions. The NASA contribution to the campaign was conducted in 2016 with the NASA LVIS (Land Vegetation and Ice Sensor) Lidar, the NASA L-band UAVSAR (Uninhabited Aerial Vehicle Synthetic Aperture Radar). A central motivation for the AfriSAR deployment was the common AGBD estimation requirement for the three future spaceborne missions, the lack of sufficient airborne and ground calibration data covering the full range of ABGD in tropical forest systems, and the intercomparison and fusion of the technologies. During the campaign, over 7000 km2 of waveform Lidar data from LVIS and 30000 km2 of UAVSAR data were collected over 10 key sites and transects. In addition, field measurements of forest structure and biomass were collected in sixteen 1 hectare sized plots. The campaign produced gridded Lidar canopy structure products, gridded aboveground biomass and associated uncertainties, Lidar based vegetation canopy cover profile products, Polarimetric Interferometric SAR and Tomographic SAR products and field measurements. Our results showcase the types of data products and scientific results expected from the spaceborne Lidar and SAR missions; we also expect that the AfriSAR campaign data will facilitate further analysis and use of waveform Lidar and multiple baseline polarimetric SAR datasets for carbon cycle, biodiversity, water resources and more applications by the greater scientific community.

AfriSAR↗

Design of a Tiltwing Concept Vehicle for Urban Air Mobility

NASA is establishing a fleet of conceptual air vehicle designs to support research and development for Urban Air Mobility (UAM). This fleet of vehicles will enable examination of the sensitivity of UAM vehicle designs to technology assumptions, identify key research and development needs for UAM aircraft, and provide the UAM community with reference vehicles that are publicly available and based upon known assumptions. To date, four six-passenger reference vehicles have been established: a quadrotor, a side-by-side, a lift-plus-cruise, and a quiet single main rotor helicopter; this paper adds a tiltwing vehicle to the fleet. This paper details the design process that was followed in order to establish the tiltwing vehicle in the fleet, including early conceptual design decisions, sizing and configuration trades, structural analyses, proprotor design and aeroacoustic predictions, and aerodynamic analyses. The resulting tiltwing vehicle uses a turboelectric propulsion system to power six proprotors positioned on a tilting main wing and two tilting proprotors positioned on the horizontal tail. This paper also compares the resulting tiltwing vehicle with the other six-passenger reference vehicles, including an updated lift-plus-cruise vehicle, and then proposes future studies. The fleet of UAM reference vehicles will continue to evolve; subsequent versions of the reference vehicles will be based upon the results of future trade studies and technology developments.

Urban Air Mobility↗

Harnessing the power of ab initio calculations, distributed computing and machine learning to efficiently locate extreme molecules for use in carbon-based solar cells (Final Technical Report)

The use of high-throughput virtual screening (HTVS) tools is a powerful tool to expedite the materials discovery of commercially relevant materials. In previous years, our group has developed a molecular discovery platform to generate libraries in order to obtain suitable candidates for different applications, starting from the Harvard Clean Energy Project. This platform is suitable to test in-silico on traditional supercomputing clusters and shared resources, for example, in the IBM World Community Grid. In this project, we used the molecular discovery platform to create and screen a library of candidates of organic photovoltaic (OPVs) molecules. Based on a set of candidates created with combinations of molecular moieties, we were able to filter, by conformation stability, the energy of electronic orbitals and approximated power conversion efficiencies (PCE). To improve the predictions of orbital energies calculated and the PCEs, we used Gaussian Process regression and two sets of molecules. These sets correspond to electronic structure calculations of a higher level of theory and experimental PCE values, respectively. Finally, we selected a subset of the best candidates (molecules with a PCE higher than 10%) to understand its absorbance properties with TD-DFT. This project has demonstrated the capabilities of our molecular discovery platform for HTVS. Finally, machine learning can help us to introduce more complex effects included in bulk conditions and computational intensive calculations on models.

14 SOLAR ENERGY↗

Species mix & distribution function dependence of energetic-ion driven magnetospheric instabilities on DIII-D (Final Report)

Energetic ions drive a rich variety of instabilities in the complex multi-species plasma of Earth’s magnetosphere. This experiment exploited the highly flexible, high power particle beam injection capability and sophisticated diagnostic suite of the DIII-D tokamak to advance understanding of two particular instabilities of significant interest to the magnetospheric research community that have closely-related counterparts in beam-heated tokamak plasmas: electromagnetic ion cyclotron waves (EMIC) [1], observed at frequencies somewhat below the ion cyclotron frequencies of bulk ion species, and equatorial noise [2], observed at energetic-ion cyclotron harmonics. In the magnetic fusion energy domain, such waves are called ICE (Ion Cyclotron Emission). Recent substantial advances in diagnostic capability in the ion cyclotron range of frequencies in DIII-D, including measurement of wave polarization, spa)al structure and amplitude created an exciting opportunity to challenge and drive advances in theoretical understanding of these phenomena.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗