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At least 613 records · Page 34

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Local spectroscopy of a gate-switchable moiré quantum anomalous Hall insulator

Abstract In recent years, correlated insulating states, unconventional superconductivity, and topologically non-trivial phases have all been observed in several moiré heterostructures. However, understanding of the physical mechanisms behind these phenomena is hampered by the lack of local electronic structure data. Here, we use scanning tunnelling microscopy and spectroscopy to demonstrate how the interplay between correlation, topology, and local atomic structure determines the behaviour of electron-doped twisted monolayer–bilayer graphene. Through gate- and magnetic field-dependent measurements, we observe local spectroscopic signatures indicating a quantum anomalous Hall insulating state with a total Chern number of ±2 at a doping level of three electrons per moiré unit cell. We show that the sign of the Chern number and associated magnetism can be electrostatically switched only over a limited range of twist angle and sample hetero-strain values. This results from a competition between the orbital magnetization of filled bulk bands and chiral edge states, which is sensitive to strain-induced distortions in the moiré superlattice.

36 MATERIALS SCIENCE↗

NASA NTRS1994

End-to-end communication test on variable length packet structures utilizing AOS testbed

This paper describes a communication test, which successfully demonstrated the transfer of losslessly compressed images in an end-to-end system. These compressed images were first formatted into variable length Consultative Committee for Space Data Systems (CCSDS) packets in the Advanced Orbiting System Testbed (AOST). The CCSDS data Structures were transferred from the AOST to the Radio Frequency Simulations Operations Center (RFSOC), via a fiber optic link, where data was then transmitted through the Tracking and Data Relay Satellite System (TDRSS). The received data acquired at the White Sands Complex (WSC) was transferred back to the AOST where the data was captured and decompressed back to the original images. This paper describes the compression algorithm, the AOST configuration, key flight components, data formats, and the communication link characteristics and test results.

Miller, Warner H.↗

NASA NTRS1995

Object-oriented structures supporting remote sensing databases

Object-oriented databases show promise for modeling the complex interrelationships pervasive in scientific domains. To examine the utility of this approach, we have developed an Intelligent Information Fusion System based on this technology, and applied it to the problem of managing an active repository of remotely-sensed satellite scenes. The design and implementation of the system is compared and contrasted with conventional relational database techniques, followed by a presentation of the underlying object-oriented data structures used to enable fast indexing into the data holdings.

Wichmann, Keith↗

DOE OSTI2025

Evidence for a Single Holocene Paleoseismic Event on the Pajarito Fault, Northern New Mexico

Low-slip rate fault systems tend to be less studied than their high-slip rate counterparts, and paleoseismic techniques used to study them may pose challenges in interpretation that differ from high-slip rate systems. A good example of this is the Pajarito fault system (PFS), a normal fault complex within the Rio Grande rift. Despite numerous previous paleoseismic trenching studies conducted on the PFS between 1990 and 2003, considerable uncertainty remains regarding its Holocene paleoseismic history, particularly for the primary Pajarito fault (PF). To further clarify the PF paleoseismic history, we present data from paleoseismic investigations of 6 trenches at 3 distinct locations along the PF. Though the totality of the age and structural data obtained in this study is complex and not entirely consistent with any one interpretation, a single Holocene paleoearthquake occurring younger than ∼1,600 to 2,300 kcal yr BP is the simplest interpretation. It is possible that the PF records two Holocene events, with a penultimate event 6.9–2.4 kcal yr BP event and the aforementioned most recent event (MRE) between 2.3 and 1.6 kcal yr BP. However, only a single wall of one trench, out of a total of 12 walls in our 6 trenches, provides evidence supporting that interpretation. This study finds evidence of a single late Holocene paleoseismic event on the PF and sparse evidence for 2 Holocene paleoseismic events on the PF and highlights the benefits of logging multiple trench walls to better understand the complexity that results from this low-slip rate, low-deposition-rate fault system.

58 GEOSCIENCES↗

NASA NTRS1982

LANDSAT multispectral scanner computer-compatible tape format, version 1.0

Unlike previous LANDSAT computer compatible tape (CCT) formats, the standard format of CCT's now includes a comprehensive field location and data description information superstructure composed of four records. The volume descriptor record, the text record, and the file pointer record reside in a volume directory file, which generally describes the data configuration and provides pointers to each data file. The file descriptor record for each data file describes the data structure within the file and provides pointers to certain fields within the file. These superstructure records primarily supply information about the data on the CCT as opposed to carrying the data themselves. The EROS Data Center's LANDSAT CCT version 1.0 product is presented which conforms to the concepts of the standard format as much as is possible with existing EDC systems.

Source record↗

DOE OSTI2019

SUSPECT: MINLP special structure detector for Pyomo

We present SUSPECT, an open source toolkit that symbolically analyzes mixed-integer nonlinear optimization problems formulated using the Python algebraic modeling library Pyomo. We present the data structures and algorithms used to implement SUSPECT. SUSPECT works on a directed acyclic graph representation of the optimization problem to perform: bounds tightening, bound propagation, monotonicity detection, and convexity detection. We show how the tree-walking rules in SUSPECT balance the need for lightweight computation with effective special structure detection. SUSPECT can be used as a standalone tool or as a Python library to be integrated in other tools or solvers. Here, we highlight the easy extensibility of SUSPECT with several recent convexity detection tricks from the literature. We also report experimental results on the MINLPLib 2 dataset.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

X-ray crystallography–based structural elucidation of enzyme-bound intermediates along the 1-deoxy-d-xylulose 5-phosphate synthase reaction coordinate

1-Deoxy-D-xylulose 5-phosphate synthase (DXPS) uses thiamine diphosphate (ThDP) to convert pyruvate and D-glyceraldehyde 3-phosphate ( D -GAP) into 1-deoxy-D-xylulose 5-phosphate (DXP), an essential bacterial metabolite. DXP is not utilized by humans; hence, DXPS has been an attractive antibacterial target. In this work, we investigate DXPS from Deinococcus radioduransN (DrDXPS), showing that it has similar kinetic parameters K m D-GAP AND K m pyruvate (54 ± 3 and 11 ± 1 μM, respectively) and comparable catalytic activity (kcat = 45 ± 2 min –1 ) with previously studied bacterial DXPS enzymes and employing it to obtain missing structural data on this enzyme family. In particular, we have determined crystallographic snapshots of DrDXPS in two states along the reaction coordinate: a structure of DrDXPS bound to C2α-phosphonolactylThDP (PLThDP), mimicking the native pre-decarboxylation intermediate C2α-lactylThDP (LThDP), and a native post-decarboxylation state with a bound enamine intermediate. The 1.94-Å-resolution structure of PLThDP-bound DrDXPS delineates how two active-site histidine residues stabilize the LThDP intermediate. Meanwhile, the 2.40-Å-resolution structure of an enamine intermediate-bound DrDXPS reveals how a previously unknown 17-Å conformational change removes one of the two histidine residues from the active site, likely triggering LThDP decarboxylation to form the enamine intermediate. These results provide insight into how the bi-substrate enzyme DXPS limits side reactions by arresting the reaction on the less reactive LThDP intermediate when its cosubstrate is absent. They also offer a molecular basis for previous low-resolution experimental observations that correlate decarboxylation of LThDP with protein conformational changes.

1-deoxy-D-xylulose 5-phosphate synthase (DXPS)↗

DOE OSTI2021

TEQUILA: a platform for rapid development of quantum algorithms

Variational quantum algorithms are currently the most promising class of algorithms for deployment on near-term quantum computers. In contrast to classical algorithms, there are almost no standardized methods in quantum algorithmic development yet, and the field continues to evolve rapidly. As in classical computing, heuristics play a crucial role in the development of new quantum algorithms, resulting in a high demand for flexible and reliable ways to implement, test, and share new ideas. In this paper, inspired by this demand, we introduce TEQUILA, a development package for quantum algorithms in PYTHON, designed for fast and flexible implementation, prototyping and deployment of novel quantum algorithms in electronic structure and other fields. TEQUILA operates with abstract expectation values which can be combined, transformed, differentiated, and optimized. On evaluation, the abstract data structures are compiled to run on state of the art quantum simulators or interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1972

Utilization of a CRT display light pen in the design of feedback control systems

A hierarchical structure of the interlinked programs was developed to provide a flexible computer-aided design tool. A graphical input technique and a data structure are considered which provide the capability of entering the control system model description into the computer in block diagram form. An information storage and retrieval system was developed to keep track of the system description, and analysis and simulation results, and to provide them to the correct routines for further manipulation or display. Error analysis and diagnostic capabilities are discussed, and a technique was developed to reduce a transfer function to a set of nested integrals suitable for digital simulation. A general, automated block diagram reduction procedure was set up to prepare the system description for the analysis routines.

Thompson, J. G.↗

NASA NTRS1987

Expert systems built by the Expert: An evaluation of OPS5

Two expert systems were written in OPS5 by the expert, a Ph.D. astronomer with no prior experience in artificial intelligence or expert systems, without the use of a knowledge engineer. The first system was built from scratch and uses 146 rules to check for duplication of scientific information within a pool of prospective observations. The second system was grafted onto another expert system and uses 149 additional rules to estimate the spacecraft and ground resources consumed by a set of prospective observations. The small vocabulary, the IF this occurs THEN do that logical structure of OPS5, and the ability to follow program execution allowed the expert to design and implement these systems with only the data structures and rules of another OPS5 system as an example. The modularity of the rules in OPS5 allowed the second system to modify the rulebase of the system onto which it was grafted without changing the code or the operation of that system. These experiences show that experts are able to develop their own expert systems due to the ease of programming and code reusability in OPS5.

Jackson, Robert↗

NASA NTRS2012

The NASA Tournament Laboratory (NTL): Improving Data Access at PDS while Spreading Joy and Engaging Students through 16 Micro-Contests

NASA PDS hosts terabytes of valuable data from hundreds of data sources and spans decades of research. Data is stored on flat-file systems regulated through careful meta dictionaries. PDS's data is available to the public through its website which supports data searches through drill-down navigation. While the system returns data quickly, result sets in response to identical input differ depending on the drill-down path a user follows. To correct this Issue, to allow custom searching, and to improve general accessibility, PDS sought to create a new data structure and API, and to use them to build applications that are a joy to use and showcase the value of the data to students, teachers and citizens. PDS engaged TopCoder and Harvard Business School through the NTL to pursue these objectives in a pilot effort. Scope was limited to Small Bodies Node data. NTL analyzed data, proposed a solution, and implemented it through a series of micro-contests. Contest focused on different segments of the problem; conceptualization, architectural design, implementation, testing, etc. To demonstrate the utility of the completed solution, NTL developed web-based and mobile applications that can compare targets, regardless of mission. To further explore the potential of the solution NTL hosted "Mash-up" challenges that integrated the API with other publically available assets, to produce consumer and teaching applications, including an Augmented Reality iPad tool. Two contests were also posted to middle and high school students via the NoNameSite.com platform, and as a result of these contests, PDS/SBN has initiated a Facebook program. These contests defined and implemented a data warehouse with the necessary migration tools to transform legacy data, produced a public web interface for the new search, developed a public API, and produced four mobile applications that we expect to appeal to users both within and, without the academic community.

LaMora, Andy↗

NASA NTRS2011

Ground-Based Network and Supersite Observations to Complement and Enrich EOS Research

Since 1997 NASA has been successfully launching a series of satellites - the Earth Observing System (EOS) - to intensively study, and gain a better understanding of, the Earth as an integrated system. Space-borne remote sensing observations, however, are often plagued by contamination of surface signatures. Thus, ground-based in-situ and remote-sensing measurements, where signals come directly from atmospheric constituents, the sun, and/or the Earth-atmosphere interactions, provide additional information content for comparisons that confirm quantitatively the usefulness of the integrated surface, aircraft, and satellite datasets. Through numerous participations, particularly but not limited to the EOS remote-sensing/retrieval and validation projects over the years, NASA/GSFC has developed and continuously refined ground-based networks and mobile observatories that proved to be vital in providing high temporal measurements, which complement and enrich the satellite observations. These are: the AERO NET (AErosol RObotic NETwork) a federation of ground-based globally distributed network of spectral sun-sky photometers; the MPLNET (Micro-Pulse Lidar NETwork, a similarly organized network of micro-pulse lidar systems measuring aerosol and cloud vertical structure continuously; and the SMART-COMMIT (Surface-sensing Measurements for Atmospheric Radiative Transfer - Chemical, Optical & Microphysical Measurements of In-situ Troposphere, mobile observatories, a suite of spectral radiometers and in-situ probes acquiring supersite measurements. Most MPLNET sites are collocated with those of AERONET, and both networks always support the deployment of SMART-COMMIT worldwide. These data products follow the data structure of EOS conventions: Level-0, instrument archived raw data; Level-1 (or 1.5), real-time data with no (or limited) quality assurance; Level-2, not real high temporal and spectral resolutions. In this talk, we will present NASA/GSFC groundbased facilities, serving as network or supersite observations, which have been playing key roles in major international research projects over diverse aerosol regimes to complement and enrich the EOS scientific research.

Tsay, Si-Chee↗

DOE OSTI2026

Generative Thermodynamic Computing

Here, we introduce a generative modeling framework for thermodynamic computing, in which structured data are synthesized from noise by the natural time evolution of a physical system governed by Langevin dynamics. While conventional diffusion models use neural networks to perform denoising, here the information needed to generate structure from noise is encoded by the dynamics of a thermodynamic system. Training proceeds by maximizing the probability with which the computer generates the reverse of a noising trajectory, which ensures that the computer generates data with minimal heat emission. We demonstrate this framework within a digital simulation of a thermodynamic computer. If realized in analog hardware, such a system would function as a generative model that produces structured samples without the need for artificially injected noise or active control of denoising.

Whitelam, Stephen [Lawrence Berkeley National Labo↗

DOE OSTI2019

Clustering of nonvalently bonded NO{sub 2}…O{sub 2}N fragments at C(sp{sup 3}) atoms

Based on the 'invariom' approach and the 'Atoms in Molecules' theory, a simplified method is proposed to reveal and analyze bonding interatomic interactions using large arrays of structural data. The technique was tested taking nonvalent interactions between nitro groups bonded to C(sp{sup 3}) atoms as examples. Geometric clustering of structural fragments was performed and the interaction strength and covalent contribution distributions were analyzed. Relationships between the fragment clustering results and nonvalent bonding pattern features are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Structural study of hcp and liquid iron under shock compression up to 275 GPa

Here we combine nanosecond laser shock compression with in situ picosecond x-ray diffraction to provide structural data on iron up to 275 GPa. We constrain the extent of hcp-liquid coexistence, the onset of total melt, and the structure within the liquid phase. Our results indicate that iron, under shock compression, melts completely by 258(8) GPa. A coordination number analysis indicates that iron is a simple liquid at these pressure-temperature conditions. We also perform texture analysis between the ambient body-centered-cubic (bcc) α, and the hexagonal-closed-packed (hcp) high-pressure ε-phase. We rule out the Rong-Dunlop orientation relationship (OR) between the α and ε - phase s. However, we cannot distinguish between three other closely related ORs: Burger's, Mao-Bassett-Takahashi, and Potter's OR. The solid-liquid coexistence region is constrained from a melt onset pressure of 225(3) GPa from previously published sound speed measurements and full melt [246.5(1.8)–258(8) GPa] from x-ray diffraction measurements, with an associated maximum latent heat of melting of 623 J/g. This value is lower than recently reported theoretical estimates and suggests that the contribution to the earth's geodynamo energy budget from heat release due to freezing of the inner core is smaller than previously thought. Melt pressures for these nanosecond shock experiments are consistent with gas gun shock experiments that last for microseconds, indicating that the melt transition occurs rapidly.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Custom Accessors: Enabling Scalable Data Ingestion, (Re-)Organization, and Analysis on Distributed Systems

The emerging class of high velocity and high volume data analytic workflows comprise interwoven data ingestion, organization, and processing stages, with ingestion and organization steps often contributing comparable or even higher computational costs than actual processing steps. Since complex workflows consist of a variety of phases that view and use data differently, being able to construct efficient, scalable, distributed data structures (arrays, vectors, sets, maps, and multi-maps) is essential and requires custom methods to extend and shrink containers, analyze and position data, and, maintain globallyconsistent meta-data. In this paper, we propose a novel datastructure access paradigm based on the concept of Accessors. At a high level, accessors are customizable callable objects that can modify the behavior of insert, read, update, and delete operations for distributed containers while preserving atomicity guarantees. Accessors provide a very clean and natural way to implement a variety of programming patterns, e.g., conditional insertion/deletion and cascading computations, which would be otherwise hard (or even impossible) to express in parallel and distributed settings without using locks. We demonstrate the practicality and usefulness of our approach with two representative use cases and study the performance of these applications on a distributed High-Performance Computing system. Our analysis highlights that our proposed abstraction allows for an effective overlapping and concurrent execution of different workflow steps (e.g., data ingestion and analysis), which in a conventional analytics pipeline would execute sequentially, contributing cumulatively to the overall latency.

Castellana, Vito G. [BATTELLE (PACIFIC NW LAB)] (O↗

DOE OSTI2022

GROWdb US River Systems - Samples

GROW Overview We developed the Genome Resolved Open Watersheds database (GROWdb), which aims to increase genomic sampling and understanding of global river microbiomes. An emphasis of GROWdb is to create a publicly available and ever-expanding microbial genome database that is focused on rivers while being interoperable with databases from other ecosystems. GROWdb is based on a network-of-networks approach to move beyond a small collection of well-studied rivers, towards a spatially distributed, global network of systematic observations. GROWdb represents the first microbial, river-focused resource parsed at various scales from genes to MAGs to community level including expression and potential based measurements that will be of interest to microbiologists, ecologists, geochemists, hydrologists, and modelers. Dataset Acknowledgement GROWdb contains data from various research campaigns, please acknowledge the following data generators, as appropriate: WHONDRS derived genomes or samples - include this statement in your acknowledgements: “This study used data from the Worldwide Hydrobiogeochemistry Observation Network for Dynamic River Systems (WHONDRS) under the River Corridor Science Focus Area (SFA) at the Pacific Northwest National Laboratory (PNNL) that was generated at the U.S. Department of Energy (DOE) Joint Genome Institute User Facility. PNNL is operated by Battelle Memorial Institute for the U.S. DOE under Contract No. DE-AC05-76RL01830. The SFA is supported by the U.S. DOE, Office of Biological and Environmental Research (BER), Environmental System Science (ESS) Program.” Total Samples loaded onto this Narrative: 178 Note: Not all GROW samples may be loaded into KBase Data Availability The data underlying GROWdb are accessible across various platforms to ensure all levels of data structure are widely available. First, all reads and MAGs are publicly hosted on National Center for Biotechnology (NCBI) under Bioproject PRJNA946291. Second, all data related data presented here including MAG annotations, extended data tables, phylogenetic tree files, antibiotic resistance gene database files, and MAG abundance tables are available in Zenodo (link). Beyond the flat database files listed above, our aim for GROWdb was to maximize data use by making the data available in searchable and interactive platforms including the National Microbiome Data Collaborative (NMDC) data portal, the Department of Energy’s Systems Biology Knowledgebase (KBase), and a GROW specific user interface released here, GROWdb Explorer. Each platform provides different ways to interact with GROWdb: NMDC GROWdb formed a pilot project for the NMDC. Specifically, individual GROWdb datasets (metagenomes, metatranscriptomes, etc) are easily accessible and searchable through the NMDC data portal, where they are systematically connected to each other and to a rich suite of sample information and standard analysis results, following Findable, Accessible, Interoperable, and Reusable (FAIR) data practices. KBase GROWdb is publicly available within KBase, including samples (this Narrative), MAGs, and corresponding genome scale metabolic models. Access within KBase allows for immediate access and reuse of data, including comparison to private data using KBase’s 500+ analysis tools. Other linked narratives in KBase: GROW Metagenome Assembled Genomes (MAGs) GROW Metabolic Models GROWdb Explorer GROWdb data is also explorable through a graphical user interface built through the Colorado State University Geospatial Centroid (https://geocentroid.shinyapps.io/GROWdatabase/), allowing users to search and graph microbial and spatial data simultaneously. In summary, this microbial genome resource represents the first publicly available genome collection from rivers and offers data that can be leveraged across microbiome studies. GROWdb is an expanding repository to incorporate and unify global river multi-omic data for the future.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1982

Thermal structure of the atmosphere of Venus from Pioneer Venus radio occultations

The processing and analysis results from 87 radio occultation experiments performed with the Pioneer Venus Orbiter are detailed. Atmospheric structure data were obtained with S-band (2293 MHz) and X-band (8407 MHz) signals transmitted through the 40 and 85 km levels of the Venus atmosphere. Latitudes of -68 to 88 deg at solar zenith angles of 8-166 deg were explored. The conversion of the data into acceptable form for the barometric equation to use the perfect gas law to obtain the temperature profiles is described. The temperature structures were more dependent on latitude than solar illumination conditions, with the greatest changes occurring in the circumpolar region. The polar tropopause altitude was about 4.8 km above its value at lower altitudes, with a temperature drop of 60 K and a pressure drop of 240 mb.

Kliore, A. J.↗