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At least 325 records · Page 18

Atomic Structure, Dynamics, Changes in Chemical Bonding and Semiconductor-Metal Transition in Sb 2 Se 3 : A Remarkable Material for Quantum Networks and Energy Applications

Antimony sesquiselenide has become an outstanding functional material for photovoltaics, energy storage and transformation, memory and photonic applications. Sb 2 Se 3 is one of the most successful emerging solar light absorbers and has also been identified as a highly promising ultralow-loss phase-change material (PCM) for next-generation coherent nanophotonic processors, photonic tensor cores, quantum and neuromorphic networks. Unlike benchmark telluride PCMs, Sb 2 Se 3 features a quasi-one-dimensional (1D) crystalline structure consisting of (Sb 4 Se 6 ) ∞ ribbons, lacks the typical PCM chemical bonding, and undergoes an extended semiconductor-metal transition above the melting point. Consequently, the origin of high optical contrast between crystalline (SET) and amorphous (RESET) logic states remains elusive and presents a significant challenge. Using high-energy X-ray diffraction and Raman spectroscopy over a wide temperature range, supported by first-principles simulations and complemented by thermal, optical and electrical measurements, as well as by 121 Sb-Mossbauer spectroscopy, the quasi-1D network of orthorhombic antimony sesquiselenide was found to undergo significant evolution in amorphous and supercooled Sb 2 Se 3 , leading to lower coordination, shorter interatomic distances and a higher p-electron density on antimony, indicating changes in chemical bonding. The observed novel Sb 2 Se 3 nanocrystalline polymorph, characterized by trigonal antimony coordination and more isolated Sb-Se ribbons, could help reduce multiple trapping defect states in the bandgap, which are typical of orthorhombic Sb 2 Se 3 , thereby enhancing the power-conversion efficiency of photovoltaic devices. Semimetallic and metallic liquid Sb 2 Se 3 exhibit a gradual transformation into a denser 2D and/or 3D network with higher antimony coordination. Localized electron states in the pseudogap are becoming extended, leading to an increase in electronic conductivity σ following the relationship σ ∝ N(E F ) 2 . Liquid Sb 2 Se 3 also appears to be strongly fragile, with a nonmonotonic change in viscosity and higher atomic mobility in the metallic liquid. Furthermore, these results explain extraordinary functionalities of Sb 2 Se 3 for photonic and energy applications.

antimony↗

New Directions in Space Operations Services in Support of Interplanetary Exploration

To gain access to the necessary operational processes and data in support of NASA's Lunar/Mars Exploration Initiative, new services, adequate levels of computing cycles and access to myriad forms of data must be provided to onboard spacecraft and ground based personnel/systems (earth, lunar and Martian) to enable interplanetary exploration by humans. These systems, cycles and access to vast amounts of development, test and operational data will be required to provide a new level of services not currently available to existing spacecraft, on board crews and other operational personnel. Although current voice, video and data systems in support of current space based operations has been adequate, new highly reliable and autonomous processes and services will be necessary for future space exploration activities. These services will range from the more mundane voice in LEO to voice in interplanetary travel which because of the high latencies will require new voice processes and standards. New services, like component failure predictions based on data mining of significant quantities of data, located at disparate locations, will be required. 3D or holographic representation of onboard components, systems or family members will greatly improve maintenance, operations and service restoration not to mention crew morale. Current operational systems and standards, like the Internet Protocol, will not able to provide the level of service required end to end from an end point on the Martian surface like a scientific instrument to a researcher at a university. Ground operations whether earth, lunar or Martian and in flight operations to the moon and especially to Mars will require significant autonomy that will require access to highly reliable processing capabilities, data storage based on network storage technologies. Significant processing cycles will be needed onboard but could be borrowed from other locations either ground based or onboard other spacecraft. Reliability will be a key factor with onboard and distributed backup processing an absolutely necessary requirement. Current cluster processing/Grid technologies may provide the basis for providing these services. An overview of existing services, future services that will be required and the technologies and standards required to be developed will be presented. The purpose of this paper will be to initiate a technological roadmap, albeit at a high level, of current voice, video, data and network technologies and standards (which show promise for adaptation or evolution) to what technologies and standards need to be redefined, adjusted or areas where new ones require development. The roadmap should begin the differentiation between non manned and manned processes/services where applicable. The paper will be based in part on the activities of the CCSDS Monitor and Control working group which is beginning the process of standardization of the these processes. Another element of the paper will be based on an analysis of current technologies supporting space flight processes and services at JSC, MSFC, GSFC and to a lesser extent at KSC. Work being accomplished in areas such as Grid computing, data mining and network storage at ARC, IBM and the University of Alabama at Huntsville will be researched and analyzed.

Bradford, Robert N.↗

Applying Model Based Systems Engineering to NASA's Space Communications Networks

System engineering practices for complex systems and networks now require that requirement, architecture, and concept of operations product development teams, simultaneously harmonize their activities to provide timely, useful and cost-effective products. When dealing with complex systems of systems, traditional systems engineering methodology quickly falls short of achieving project objectives. This approach is encumbered by the use of a number of disparate hardware and software tools, spreadsheets and documents to grasp the concept of the network design and operation. In case of NASA's space communication networks, since the networks are geographically distributed, and so are its subject matter experts, the team is challenged to create a common language and tools to produce its products. Using Model Based Systems Engineering methods and tools allows for a unified representation of the system in a model that enables a highly related level of detail. To date, Program System Engineering (PSE) team has been able to model each network from their top-level operational activities and system functions down to the atomic level through relational modeling decomposition. These models allow for a better understanding of the relationships between NASA's stakeholders, internal organizations, and impacts to all related entities due to integration and sustainment of existing systems. Understanding the existing systems is essential to accurate and detailed study of integration options being considered. In this paper, we identify the challenges the PSE team faced in its quest to unify complex legacy space communications networks and their operational processes. We describe the initial approaches undertaken and the evolution toward model based system engineering applied to produce Space Communication and Navigation (SCaN) PSE products. We will demonstrate the practice of Model Based System Engineering applied to integrating space communication networks and the summary of its results and impact. We will highlight the insights gained by applying the Model Based System Engineering and provide recommendations for its applications and improvements.

Bhasin, Kul↗

Real-Time Evolution and Deployment of Neuromorphic Computing at The Edge

Extremely low power neuromorphic systems are well-suited for deployment to the edge for many applications. In many use cases of neuromorphic computing for control, a spiking neural network is trained off-line using a simulation and then deployed to a neuromorphic system at the edge, where it will operate without ongoing training or learning. However, it may be desirable to continue training or learning at the edge to refine or adapt to the real-world system. In this work, we propose an approach for performing real-time evolutionary optimization for spiking neural networks for neuromorphic deployment at the edge. In particular, we propose a combination of simulation and real-world evaluations, along with feedback from the real-world environment, to train spiking neural networks for continuous deployment to the edge. We show that the real-time evolution at the edge approach achieves comparable performance to an evolution approach that requires constant evaluation in the realworld environment.

Schuman, Catherine↗

Constructing the Nitrogen Flux Maps (NFMs) of Plants

The main objectives of this project are to construct plant N flux maps (NFMs) from plant genomes and to determine functionality of AT enzymes and plant N metabolic network. To address this grand challenge, this project made use of rapidly growing numbers of plant genomes, high-throughput functional characterization platforms, and computational modeling to deduce both biochemical and systems level functionality of ATs and NFMs. The obtained NFMs will provide a novel framework to advance basic understanding of plant N metabolism and facilitate rational engineering of plants with high productivity even under limited N input.

59 BASIC BIOLOGICAL SCIENCES↗

Evolution of NASA's Earth Science Digital Object Identifier Registration System

NASA's Earth Science Data and Information System (ESDIS) Project has implemented a fully automated system for assigning Digital Object Identifiers (DOIs) to Earth Science data products being managed by its network of 12 distributed active archive centers (DAACs). A key factor in the successful evolution of the DOI registration system over last 7 years has been the incorporation of community input from three focus groups under the NASA's Earth Science Data System Working Group (ESDSWG). These groups were largely composed of DOI submitters and data curators from the 12 data centers serving the user communities of various science disciplines. The suggestions from these groups were formulated into recommendations for ESDIS consideration and implementation. The ESDIS DOI registration system has evolved to be fully functional with over 5,000 publicly accessible DOIs and over 200 DOIs being held in reserve status until the information required for registration is obtained. The goal is to assign DOIs to the entire 8000+ data collections under ESDIS management via its network of discipline-oriented data centers. DOIs make it easier for researchers to discover and use earth science data and they enable users to provide valid citations for the data they use in research. Also for the researcher wishing to reproduce the results presented in science publications, the DOI can be used to locate the exact data or data products being cited.

DOI; digital object identifier; mappin↗

The International Soil Moisture Network: serving Earth system science for over a decade

In 2009, the International Soil Moisture Network (ISMN) was initiated as a community effort, funded by the European Space Agency, to serve as a centralised data hosting facility for globally available in situ soil moisture measurements (Dorigo et al., 2011b, a). The ISMN brings together in situ soil moisture measurements collected and freely shared by a multitude of organisations, harmonises them in terms of units and sampling rates, applies advanced quality control, and stores them in a database. Users can freely retrieve the data from this database through an online web portal (https://ismn.earth/en/, last access: 28 October 2021). Meanwhile, the ISMN has evolved into the primary in situ soil moisture reference database worldwide, as evidenced by more than 3000 active users and over 1000 scientific publications referencing the data sets provided by the network. As of July 2021, the ISMN now contains the data of 71 networks and 2842 stations located all over the globe, with a time period spanning from 1952 to the present. The number of networks and stations covered by the ISMN is still growing, and approximately 70% of the data sets contained in the database continue to be updated on a regular or irregular basis. The main scope of this paper is to inform readers about the evolution of the ISMN over the past decade, including a description of network and data set updates and quality control procedures. A comprehensive review of the existing literature making use of ISMN data is also provided in order to identify current limitations in functionality and data usage and to shape priorities for the next decade of operations of this unique community-based data repository.

54 ENVIRONMENTAL SCIENCES↗

Novel symmetry-preserving neural network model for phylogenetic inference

Abstract Motivation Scientists world-wide are putting together massive efforts to understand how the biodiversity that we see on Earth evolved from single-cell organisms at the origin of life and this diversification process is represented through the Tree of Life. Low sampling rates and high heterogeneity in the rate of evolution across sites and lineages produce a phenomenon denoted “long branch attraction” (LBA) in which long nonsister lineages are estimated to be sisters regardless of their true evolutionary relationship. LBA has been a pervasive problem in phylogenetic inference affecting different types of methodologies from distance-based to likelihood-based. Results Here, we present a novel neural network model that outperforms standard phylogenetic methods and other neural network implementations under LBA settings. Furthermore, unlike existing neural network models in phylogenetics, our model naturally accounts for the tree isomorphisms via permutation invariant functions which ultimately result in lower memory and allows the seamless extension to larger trees. Availability and implementation We implement our novel theory on an open-source publicly available GitHub repository: https://github.com/crsl4/nn-phylogenetics.

59 BASIC BIOLOGICAL SCIENCES↗

Predicting Geologic Behavior in Carbon Storage Projects Using Graph Neural Network

This study was invited to presented at NVIDIA's GTC conference to highlight the potential of Graph Neural Network as a novel and promising methodology for predicting pressure and saturation evolution in carbon storage projects. Carbon capture and storage (CCS) technology plays a pivotal role in mitigating greenhouse gas emissions, facilitating the transition to a low-carbon future. Effective management of subsurface reservoirs is essential to ensure the safe and efficient storage of captured carbon dioxide (CO₂). Accurate predictions of pressure and saturation over time are critical for evaluating the long-term performance and integrity of CCS projects. In recent years, Graph Neural Network (GNN) has emerged as a powerful framework for analyzing complex data in graph-structured domains. This abstract explores the application of GNN to forecast pressure and saturation evolution in carbon storage projects. Traditional numerical simulations of subsurface reservoirs have proven successful in providing pressure and saturation forecasts. However, these simulations involve massive amounts of computational effort and require extensive domain expertise for proper model calibration and validation. Graph Neural Operator offers an alternative approach that harnesses the inherent graph structure of reservoirs, where nodes represent reservoir grid cells and edges represent the geological connectivity between them.

Shih, Chung Yan↗

Examination of Haines Jump in Microfluidic Experiments via Evolution Graphs and Interface Tracking

This work examines a type of rapid pore-filling event in multiphase flow through permeable media that is better known as Haines Jump. While existing microfluidic experiments on Haines Jump mostly seek to maintain quasi-steady states through very low bulk flow rates over long periods of time, this work explores the combined use of a highly structured microscale transport network, high-speed fluorescent microscopy, displacement front segmentation algorithms, and a tracking algorithm to build evolution graphs that track displacement fronts as they evolve through high-speed video recording. The resulting evolution graph allows the segmentation of a high-speed recording in both space and time, potentially facilitating topology-cognitive computation on the transport network. Occurrences of Haines Jump are identified in the microfluidic displacement experiments and their significance in bulk flow rates is qualitatively analyzed. The bulk flow rate has little effect on the significance of Haines Jump during merging and splitting, but large bulk flow rates may obscure small bursts at the narrowest part of the throat.

permeable media↗

R Coronae Borealis Star Evolution: Simulating 3D Merger Events to 1D Stellar Evolution Including Large-scale Nucleosynthesis

R Coronae Borealis (RCB) stars are rare hydrogen-deficient carbon-rich variable supergiants thought to be the result of dynamically unstable white dwarf mergers. In this article, we attempt to model RCB stars through all the relevant timescales by simulating a merger event in Octo-tiger, a 3D adaptive mesh refinement (AMR) hydrodynamics code, and mapping the post-merger object into MESA, a 1D stellar evolution code. We then post-process the nucleosynthesis on a much larger nuclear reaction network to study the enhancement of s-process elements. We present models that match observations or previous studies in most surface abundances, isotopic ratios, early evolution, and lifetimes. We also observe similar mixing behavior to previous modeling attempts that result in the partial He-burning products visible on the surface in observations. However, we do note that our subsolar models lack any enhancement in s-process elements, which we attribute to a lack of hydrogen in the envelope. We also find that the 16 O/ 18 O isotopic ratio is very sensitive to initial hydrogen abundance and increases outside of the acceptable range with a hydrogen mass fraction greater than 10 -4 .

79 ASTRONOMY AND ASTROPHYSICS↗

Highly Structured Water Networks in Microhydrated Dodecaborate Clusters

Here, we report a combined photoelectron spectroscopy and theoretical investigation of a series of size-selected hydrated closo-dodecaborate clusters B 12 X 12 2– ·nH 2 O (X = H, F, or I; n = 1–6). Distinct structural arrangements of water clusters from monomer to hexamer can be achieved by using different B 12 X 12 2– bases, illustrating the evident solute specificity. Because B–H···H–O dihydrogen bonds are stronger than O···H–O hydrogen bonds in water, the added water molecules are arranged in a unified binding mode by forming highly structured water networks manipulated by B 12 H 12 2– . As a comparison, the hydrated B 12 F 12 2– clusters display similar water evolution for n values of 1 and 2 but different binding modes for larger clusters, while water networks in B 12 I 12 2– share similarities with the free water clusters. This finding provides a consistent picture of the structural diversity of hydrogen bonding networks in microhydrated dodecaborates and a molecular-level understanding of microsolvation dynamics in aqueous borate chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Universal and interpretable classification of atomistic structural transitions via unsupervised graph learning

Materials processing often occurs under extreme dynamic conditions leading to a multitude of unique structural environments. These structural environments generally occur at high temperatures and/or high pressures, often under non-equilibrium conditions, which results in drastic changes in the material's structure over time. Computational techniques, such as molecular dynamics simulations, can probe the atomic regime under these extreme conditions. However, characterizing the resulting diverse atomistic structures as a material undergoes extreme changes in its structure has proved challenging due to the inherently non-linear relationship between structures as large-scale changes occur. Here, we introduce SODAS++, a universal graph neural network framework, that can accurately and intuitively quantify the atomistic structural evolution corresponding to the transition between any two arbitrary phases. We showcase SODAS++ for both solid–solid and solid–liquid transitions for systems of increasing geometric and chemical complexity, such as colloidal systems, elemental Al, rutile and amorphous TiO 2 , and the non-stoichiometric ternary alloy Ag 26 Au 5 Cu 19 . Finally, we show that SODAS++ can accurately quantify all transitions in a physically interpretable manner, showcasing the power of unsupervised graph neural network encodings for capturing the complex and non-linear pathway, a material's structure takes as it evolves.

36 MATERIALS SCIENCE↗

Satellite-Based Investigations of the Transition from an Oceanic to Continental Transform Margin

Detailed characterization of neotectonics evolution of the Valle de San Felipe and Arroyo Grande regions in northern Baja California. Reoccupied GEOMEX GPS sites, and occupied a regional GPS (Global Positioning System) network. The Baja California peninsula in Mexico offers a unique setting for studying the kinematic evolution of a complex, active strike-slip/rift plate boundary. We are currently conducting remote sensing, geologic, and geodetic studies of this boundary. The combined data sets will yield instantaneous and time integrated views of its evolution. This proposal solicits renewed funding from NASA to support remote sensing and geologic studies. During the late Cenozoic, Baja California has been the locus of changing fault geometry that has accommodated components of the relative motion between the North America and Pacific plates. Contemporary slip between the two plates occurs in a broad zone that encompasses much of southern California and the Baja California Peninsula. The transfer of slip across this zone in southern California is relatively well understood. South of the border, the geometry and role of specific faults and structural provinces in transferring plate margin deformation across the peninsula is enigmatic. Results We use Landsat Thematic Mapper imagery of the Baja California Peninsula to identify recent and active faults, and then conduct field studies that characterize the temporal and spatial structural evolution of the plate margin. These data address questions concerning the neotectonic development of the Gulf of California, the Baja California Peninsula, and their role in evolution of the post-Miocene Pacific - North American plate boundary. Moreover, these studies provide constraints on the geometry of active faults, allowing more exact understanding of the results of ongoing NASA-supported geodetic experiments. In addition, anticipated publication of the TM scenes will provide a widely available geological data base for relatively little-known peninsula California. Achievements include development of an ArcInfo data base of Landsat and SPOT imagery, detailed field studies of Neogene structures in northeastern Baja California, and new constraint on Pacific - North America plate motion at Baja California latitudes. These results are reported in maps, manuscripts and data products which are published or near completion.

Miller, M. Meghan↗

Fractal Analysis of Drainage Basins on Mars

We used statistical properties of drainage networks on Mars as a measure of martian landscape morphology and an indicator of landscape evolution processes. We utilize the Mars Orbiter Laser Altimeter (MOLA) data to construct digital elevation maps (DEMs) of several, mostly ancient, martian terrains. Drainage basins and channel networks are computationally extracted from DEMs and their structures are analyzed and compared to drainage networks extracted from terrestrial and lunar DEMs. We show that martian networks are self-affine statistical fractals with planar properties similar to terrestrial networks, but vertical properties similar to lunar networks. The uniformity of martian drainage density is between those for terrestrial and lunar landscapes. Our results are consistent with the roughening of ancient martian terrains by combination of rainfall-fed erosion and impacts, although roughening by other fluvial processes cannot be excluded. The notion of sustained rainfall in recent Mars history is inconsistent with our findings.

Stepinski, T. F.↗

Large Charge Moment Change Lightning in an Oklahoma Mesoscale Convective System

On 31 May 2013, a line of severe thunderstorms developed during the local afternoon in central Oklahoma, USA. One of the supercells produced the El Reno tornado, which caused significant damage and killed several people. During the 2300 UTC hour (during the mature supercell stage and just after the tornado began), the storm produced several positive cloud-to-ground (+CG) lightning strokes that featured large (> 100 C km) impulse charge moment changes (iCMCs; charge moment during the first 2 ms after the return stroke). These discharges occurred mainly in convection, in contrast to the typical pattern of large-CMC and sprite-parent +CGs occurring mainly in stratiform precipitation regions. After this time, the line of thunderstorms evolved over several hours into a large mesoscale convective system (MCS). By the 0700 UTC hour on 1 June 2013, the large-CMC pattern had changed markedly. Large-CMC negative CGs, which were absent early in the storm's lifetime, occurred frequently within convection. Meanwhile, large-CMC +CGs had switched to occurring mainly within the broad stratiform region that had developed during the intervening period. The evolution of the large-CMC lightning in this case will be examined using a mix of national mosaics of radar reflectivity, the Oklahoma Lightning Mapping Array (OKLMA), the Charge Moment Change Network (CMCN), and the National Lightning Detection Network (NLDN). A major goal of this study is understanding how storm structure and evolution affected the production of large-CMC lightning. It is anticipated that this will lead to further insight into how and why storms produce the powerful lightning that commonly causes sprites in the upper atmosphere.

Lang, Timothy J.↗

Evaluation of Long-Range Lightning Detection Networks Using TRMM/LIS Observations

Recent advances in long-range lightning detection technologies have improved our understanding of thunderstorm evolution in the data sparse oceanic regions. Although the expansion and improvement of long-range lightning datasets have increased their applicability, these applications (e.g., data assimilation, atmospheric chemistry, and aviation weather hazards) require knowledge of the network detection capabilities. Toward this end, the present study evaluates data from the World Wide Lightning Location Network (WWLLN) using observations from the Lightning Imaging Sensor (LIS) aboard the Tropical Rainfall Measurement Mission (TRMM) satellite. The study documents the WWLLN detection efficiency and location accuracy relative to LIS observations, describes the spatial variability in these performance metrics, and documents the characteristics of LIS flashes that are detected by WWLLN. Improved knowledge of the WWLLN detection capabilities will allow researchers, algorithm developers, and operational users to better prepare for the spatial and temporal coverage of the upcoming GOES-R Geostationary Lightning Mapper (GLM).

Rudlosky, Scott D.↗