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At least 1,207 records · Page 67

Cross-facility science with the Superfacility Project at LBNL

As data sets from DOE user science facilities grow in both size and complexity there is an urgent need for new capabilities to transfer, analyze and manage the data underlying scientific discoveries. LBNL's Superfacility project brings together experimental and observational research instruments with computational and network facilities at the National Energy Research Scientific Computing Center (NERSC) and the Energy Sciences Network (ESnet) with the goal of enabling user science. Here, we report on recent innovations in the Superfacility project, including advanced data management, API-based automation, real-Time interactive user interfaces, and supported infrastructure for 'edge' services.

Enders, B↗

Validating quantum-classical programming models with tensor network simulations

The exploration of hybrid quantum-classical algorithms and programming models on noisy near-term quantum hardware has begun. As hybrid programs scale towards classical intractability, validation and benchmarking are critical to understanding the utility of the hybrid computational model. In this paper, we demonstrate a newly developed quantum circuit simulator based on tensor network theory that enables intermediate-scale verification and validation of hybrid quantum-classical computing frameworks and programming models. We present our tensor-network quantum virtual machine (TNQVM) simulator which stores a multi-qubit wavefunction in a compressed (factorized) form as a matrix product state, thus enabling single-node simulations of larger qubit registers, as compared to brute-force statevector simulators. Our simulator is designed to be extensible in both the tensor network form and the classical hardware used to run the simulation (multicore, GPU, distributed). The extensibility of the TNQVM simulator with respect to the simulation hardware type is achieved via a pluggable interface for different numerical backends (e.g., ITensor and ExaTENSOR numerical libraries). We demonstrate the utility of our TNQVM quantum circuit simulator through the verification of randomized quantum circuits and the variational quantum eigensolver algorithm, both expressed within the eXtreme-scale ACCelerator (XACC) programming model.

97 MATHEMATICS AND COMPUTING↗

Management experience of an international venture in space The Ulysses mission

The management of the Ulysses project, a probe which will fly a solar polar orbit, is described. The 5-yr mission will feature a flyby of Jupiter to deflect the spacecraft into a high-inclination orbit. Data on the solar corona, solar wind, the sun-wind interface, the heliospheric magnetic field, solar and nonsolar cosmic rays, etc., will be gathered as a function of the solar latitude. NASA will track and control the probe with the Deep Space Network. JPL provides project management for NASA while the Directorate of Scientific Programs performs ESA management functions. The DOE will provide a radioisotope thermoelectric generator while NASA and ESA each supply half the scientific payload. A NASA-ESA Joint Working Group meets about twice per year to monitor the project and discuss the technical and scientific requirements. Safety issues and measures which are being addressed due to the presence of the Pu-238 heat source for the RTG are discussed.

Yoshida, Ronald Y.↗

Service Quality Assessment for NASA's Deep Space Network: No Longer a Luxury

When NASA's Deep Space Network (DSN) was established almost a half century ago, the concept of computer-based service delivery was impractical or infeasible due to the state of information technology As a result, the interface the DSN exposes to its customers tends to be equipment-centric, lacking a clear demarcation between the DSN and the mission operation systems (MOS) of its customers. As the number of customers has continued to increase, the need to improve efficiency and minimize costs has grown. This growth has been the impetus for a DSN transformation from an equipment-forrent provider to a provider of standard services. Service orientation naturally leads to requirements for service management, including proactive measurement of service quality and service levels as well as the efficiency of internal processes and the performance of service provisioning systems. DSN System Engineering has surveyed industry offerings to determine if commercial successes in decision support and Business Intelligence (BI) solutions can be applied to the DSN. A pilot project was initiated, and subsequently executed to determine the feasibility of repurposing a commercial Business Intelligence platform for engineering analysis in conjunction with the platform's intended business reporting and analysis functions.

Operations Efficiency↗

Microphone Phased Array NetCDF/HDF5 Archival Files: Application Program Interface Reference

An application program interface (API) has been developed for the creation and access of structured data files generated by microphone phased arrays utilized in aeroacoustics research. Two structured binary file formats are supported, namely NetCDF (Network Common Data Form) and HDF5 (Hierarchical Data Format) files. The API consists of a library of routines callable from C, Fortran or Matlab, with native versions of the API provided for each language. The libraries are divided into categories for file handling, file definition and initialization, data writing, data recovery, and error handling. The API is intended to provide a mechanism for generating self-describing binary files for long-term archiving of raw and processed data generated by phased array systems.

Humphreys, William M., Jr.↗

Exobiology Through the Lens of Constraint-Based Metabolic Modeling

A focus of many astrobiology questions resides on the interplay between biochemistry and geochemistry. This biotic-abiotic interface is intimately connected to habitability. Computational systems biology provides a paradigm to characterize this interface. Here we describe the application of constraint-based metabolic modeling to characterize photosynthetic microorganisms inhabiting a modern analog to the Earth’s primordial ocean. Biochemistry is captured in a metabolic network that is converted to a mathematical model. Geochemistry results in constraints that limit the capabilities of the metabolic network. The combination of the two within a single framework can elucidate the co-evolution of life and the environment.

Broddrick, Jared T.↗

The Space Communications and Navigation Testbed aboard International Space Station: Seven Years of Space-based Reconfigurable Software Defined Communications, Navigation, and Networking

The adoption of software defined radios offers space missions a new way to develop and operate space transceivers for communications and navigation.The SCaN Testbed on-board the ISS led groundbreaking efforts to champion use of software defined radios for space communications. The SCaN Testbed has allowed NASA, industry, academia, and international partners to pursue their respective interests in joint collaboration with NASA, and move this technology and it's applications to the space domain. Launched in 2012, The SCaN Testbed has logged over 4000 hours of operation exploring the development, reconfiguration, and operation of software defined radios and their software applications. Over the past seven years, experimenters and organizations from across the United States and around the world, have advanced the applications of software defined radios and networks using the SCaN Tested. Some of SCaN Testbed's successful experiments include the demonstration of the first Ka-band full duplex space transceiver, which became an R&D 100 award winning technology, and was inducted into the Space Technology Hall of Fame, following the launch and space deployment of a successful commercial product line based on the Testbed radios.Experiments have focused on new software development and operations concepts for understanding how to manage and apply this relatively new technology to space to improve communications and navigation for space science and exploration missions. The advanced capabilities of the software radios allow for multiple applications or functions (e.g., communication and navigation) to operate from the same radio platform. Multiple software waveform applications enable software component reuse and improve efficiency for multiple applications operating over different mission phases. The new capabilities of software defined radios such as on-orbit reconfiguration, also present new challenges such as increased operational complexity. Experiments of the SCaN testbed include more intelligent or cognitive applications to improve communications efficiency and manage the complexity of the radios, the communication channels, and the network itself. The software defined radios on the SCaN Testbed are each compliant to NASA's Space Telecommunications Radio System (STRS) Architecture. The STRS Architecture provides commonality among radio developments from different providers and different mission applications, and is designed to reduce the cost, risk, and complexity of unique and custom radio developments. This radio architecture standard defines common waveform software interfaces, methods of instantiation, operation, and documentation. As the SCaN Testbed concludes its operations on ISS, this presentation explores the advancements and accomplishments made to advance software defined radio technology and its applications for exploration. The accomplishments cover a number of experiment areas in Ka-band and S-band communications with TDRS, high rate communications, adaptive waveform operation, navigation using both GPA and Galileo constellations, complex networking and disruptive tolerant link protocols, user initiative service, and initial experiments with intelligent and cognitive applications which demonstrate the significant potential of software defined and cognitive radios.

Mortensen, Dale↗

ORRC/SAIL interface control document for SAIL OFT data tapes, revision A

The formats for all orbital flight tests magnetic tape recordings produced in the Johnson Space Center Shuttle Avionics Laboratories which are required to be processed in the orbiter data reduction complex or by the mission control center network interference processor are described.

Source record↗

Automated mainframe data collection in a network environment

The progress and direction of the computer industry have resulted in widespread use of dissimilar and incompatible mainframe data systems. Data collection from these multiple systems is a labor intensive task. In the past, data collection had been restricted to the efforts of personnel specially trained on each system. Information is one of the most important resources an organizations has. Any improvement in an organization's ability to access and manage that information provides a competitive advantage. This problem of data collection is compounded at NASA sites by multi-center and contractor operations. The Centralized Automated Data Retrieval System (CADRS) is designed to provide a common interface that would permit data access, query, and retrieval from multiple contractor and NASA systems. The methods developed for CADRS have a strong commercial potential in that they would be applicable for any industry that needs inter-department, inter-company, or inter-agency data communications. The widespread use of multi-system data networks, that combine older legacy systems with newer decentralized networks, has made data retrieval a critical problem for information dependent industries. Implementing the technology discussed in this paper would reduce operational expense and improve data collection on these composite data systems.

Gross, David L.↗

Model simulations of Plum Island Ecosystems LTER low marsh site using ELM-PFLOTRAN

Model simulations using the E3SM Land Model (ELM) coupled to the PFLOTRAN reactive transport model via the Alquimia interface. The simulations were conducted for a tidal salt marsh at the Plum Island Ecosystems LTER near Rowley, Massachusetts, USA. Model simulations were forced using site-specific tidal cycles and salinity, and the simulations used a biogeochemical reaction network including aerobic decomposition, sulfate reduction, iron reduction, and methanogenesis. Model outputs include simulated carbon stocks, carbon dioxide and methane fluxes, and porewater concentrations of key solutes related to sulfur, iron, and carbon cycling. The model simulations included a saline simulation (with tidal sulfate inputs), a fresh simulation (with low salinity and low sulfate inputs), and a saline simulation with lower vegetation productivity to represent the effect of salinity on vegetation. These simulations were conducted to demonstrate that a new model framework incorporating subsurface redox and biogeochemical interactions into a land surface model could reproduce measured surface greenhouse gas fluxes and biogeochemical dynamics in tidal marsh ecosystems, and to test whether including redox interactions in a land surface model would allow the model to resolve contrasts in biogeochemical cycling and greenhouse gas production between saline and freshwater wetlands.The data package includes gzipped tar archives (which can be expanded using standard tar and gzip utilities) of model outputs from three model configurations: saline subsurface and reduced vegetation productivity related to salinity; saline subsurface with vegetation productivity not reduced; and freshwater. Also included are code for the modified E3SM model, Alquimia interface, and PFLOTRAN reactive transport simulator in gzipped tar format; plain text parameter and configuration files; python code files for visualizing model output and defining model configurations; and model output, tide and salinity forcing, and configuration files in netCDF format. See the README.md file in the data package for a detailed description of all files contained in the package. All files are in netCDF (.nc), gzipped tar archive (.tar.gz or .tgz), or text (all other files).Updated: May 13, 2024. Model output, E3SM code, PFLOTRAN input files, and python codes for visualizing results were updated to reflect changes made for the manuscript revision. The updated archive reflects the code and model output from the final accepted manuscript. Changes included updated reaction parameters reflecting improved parameterization and additional comparisons with field measurements. E3SM code changes included better support for multiple grid cells and improved flow and transport parameterization.

54 ENVIRONMENTAL SCIENCES↗

AIRNET: A real-time comunications network for aircraft

A real-time local area network was developed for use on aircraft and space vehicles. It uses token ring technology to provide high throughput, low latency, and high reliability. The system was implemented on PCs and PC/ATs operating on PCbus, and on Intel 8086/186/286/386s operating on Multibus. A standard IEEE 802.2 logical link control interface was provided to (optional) upper layer software; this permits the controls designer to utilize standard communications protocols (e.g., ISO, TCP/IP) if time permits, or to utilize a very fast link level protocol directly if speed is critical. Both unacknowledged datagram and reliable virtual circuit services are supported. A station operating an 8 MHz Intel 286 as a host can generate a sustained load of 1.8 megabits per second per station, and a 100-byte message can be delivered from the transmitter's user memory to the receiver's user memory, including all operating system and network overhead, in under 4 milliseconds.

Weaver, Alfred C.↗

Fluid inertia controls mineral precipitation and clogging in pore to network-scale flows

Mineral precipitation caused by fluid mixing presents complex control and predictability challenges in a variety of natural and engineering processes, including carbon mineralization, geothermal energy, and microfluidics. Precipitation dynamics, particularly under the influence of fluid flow, remain poorly understood. Combining microfluidic experiments and three-dimensional reactive transport simulations, we demonstrate that fluid inertia controls mineral precipitation and clogging at flow intersections, even in laminar flows. We observe distinct precipitation regimes as a function of Reynolds number (Re). At low Reynolds numbers (Re < 10), precipitates form a thin, dense layer along the mixing interface, which shuts precipitation off, while at high Reynolds numbers (Re > 50), strong three-dimensional flows significantly enhance precipitation over the entire intersection, resulting in rapid clogging. When injection rates from two inlets are uneven, flow symmetry-breaking leads to unexpected flow bifurcation phenomena, which result in enhanced concurrent precipitation in both downstream channels. Finally, we extend our findings to rough channel networks and demonstrate that the identified inertial effects on precipitation at the intersection scale are also present and even more dramatic at the network scale. This study sheds light on the fundamental mechanisms underlying mixing-induced mineral precipitation and provides a framework for designing and optimizing processes involving mineral precipitation.

Science & Technology - Other Topics↗

Thiol post-translational modifications modulate allosteric regulation of the OpcA–G6PDH complex through conformational gate control

In cyanobacteria, the redox-sensitive protein OpcA acts as a metabolic switch for G6PDH, enabling rapid adjustment of reducing power generation from glycogen catabolism and thereby precisely regulating carbon flux between anabolic and catabolic pathways. Although redox-sensitive cysteines in OpcA are known to regulate G6PDH, the mechanisms by which redox post-translational modifications (PTMs) on OpcA control G6PDH structure and activity remain unclear. Here, we combine computational modeling with experimental redox proteomics in Synechococcus elongatus PCC 7942 to dissect this mechanism. Experimentally, redox proteome analysis revealed differential redox PTM patterns, particularly on cysteines within the G6PDH-binding site of OpcA. These environmentally sensitive PTM changes at the interface suggest that thiol modifications in this region form a key regulatory node. More broadly, redox proteomics identified site-specific cysteine modifications under light/dark transitions and circadian cycling, linking distinct redox regimes to discrete PTM states. We employed PTM-Psi simulations to show that thiol PTMs near the OpcA–G6PDH interface are critical for allosteric regulation of G6PDH. The thiol PTMs on OpcA affect a putative gate region in G6PDH for substrate ingress and product egress as well as key hydrogen-bond networks within the active site. We infer that PTMs on OpcA tune the conformational landscapes of individual G6PDH subunits toward functionally relevant configurations according to environmental gradients, biasing the enzyme toward catalytically favorable states. Together, our results reveal a molecular mechanism in which thiol PTMs on OpcA modulate G6PDH structure and function through PTM-induced reorganization of conformational dynamics and allosteric communication. These findings demonstrate that PTM-level regulation provides a critical control layer from genotypes to phenotypes that enables cyanobacteria to rapidly adapt to environmental fluctuations through precise metabolic fine-tuning.

Allosteric regulation↗

In Situ High-Cycle Fatigue Reveals Importance of Grain Boundary Structure in Nanocrystalline Cu-Zr

The radiation tolerance of metals can be improved through the incorporation of surfacesand interfaces within the material. Nanocrystalline metals are especially attractive due to theirlarge interfacial volume fraction in the form of grain boundaries, but grain growth duringirradiation usually degrades any improvement in radiation tolerance. Therefore, methods to limitgrain growth and simultaneously improve the radiation tolerance of nanocrystalline metals areneeded. Amorphous intergranular films are unique grain boundary structures that are predicted tohave improved sink efficiencies compared to traditional ordered grain boundaries due to theirincreased thickness and amorphous structure. In addition, amorphous intergranular films havebeen shown to improve the grain size stability of nanocrystalline alloys since they arethermodynamically-preferred at very high temperatures and also can kinetically slow migrationdue to the interface being heavily doped. In this study, ball milled nanocrystalline Cu-Zr alloysare heat treated to either have only ordered grain boundaries or to contain amorphous intergranularfilms distributed throughout the grain boundary network, and are then subjected to in situtransmission electron microscopy irradiation and ex situ bulk irradiation. Differences in defectdensity and grain growth due to grain boundary structural transitions are then investigated. Whenamorphous intergranular films are incorporated within the material, not only is the net sinkefficiency of the entire grain boundary network increased, but grain growth is also limited, leadingto nanocrystalline alloys with improved radiation tolerance.

36 MATERIALS SCIENCE↗

Designing Stress-Adaptive Dense Suspensions Using Dynamic Covalent Chemistry

The non-Newtonian behaviors of dense suspensions are central to their use in technological and industrial applications and arise from a network of particle–particle contacts that dynamically adapt to imposed shear. Reported herein are studies aimed at exploring how dynamic covalent chemistry between particles and the polymeric solvent can be used to tailor such stress-adaptive contact networks, leading to their unusual rheological behaviors. Specifically, a room temperature dynamic thia-Michael bond is employed to rationally tune the equilibrium constant (K eq ) of the polymeric solvent to the particle interface. It is demonstrated that low Keq leads to shear thinning, while high K eq produces antithixotropy, a rare phenomenon where the viscosity increases with shearing time. It is proposed that an increase in K eq increases the polymer graft density at the particle surface and that antithixotropy primarily arises from partial debonding of the polymeric graft/solvent from the particle surface and the formation of polymer bridges between particles. Thus, the implementation of dynamic covalent chemistry provides a new molecular handle with which to tailor the macroscopic rheology of suspensions by introducing programmable time dependence. These studies open the door to energy-absorbing materials that not only sense mechanical inputs and adjust their dissipation as a function of time or shear rate but also can switch between these two modalities on demand.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synchronization in electric power networks with inherent heterogeneity up to 100% inverter-based renewable generation

The synchronized operation of power generators is the foundation of electric power network stability and a key to the prevention of undesired power outages and blackouts. Here, we derive the conditions that guarantee synchronization in power networks with inherent generator heterogeneity when subjected to small perturbations, and perform a parametric sensitivity analysis to understand synchronization with varied types of generators. As inverter-based resources, which are the primary interfacing technology for many renewable sources of energy, have supplanted synchronous generators in ever growing numbers, the center of attention on associated integration challenges have resided primarily on the role of declining system inertia. Our results instead highlight the critical role of generator damping in achieving a stable state of synchronization. Additionally, we report the feasibility of operating interconnected electric grids with up to 100% power contribution from inverter-based renewable generation technologies. Our study has important implications as it sets the basis for the development of advanced control architectures and grid optimization methods that ensure synchronization and further pave the path towards the decarbonization of the electric power sector.

24 POWER TRANSMISSION AND DISTRIBUTION↗

An Assessment of the Usability of Machine Learning Based Tools for the Security Operations Center

Gartner, a large research and advisory company, anticipates that by 2024 80% of security operation centers (SOCs) will use machine learning (ML) based solutions to enhance their operations. 1 1 https://www.ciodive.com/news/how-data-science-tools-can-lighten-the-load-for-cybersecurity-teams/572209/ In light of such widespread adoption, it is vital for the research community to identify and address usability concerns. This work presents the results of the first in situ usability assessment of ML-based tools. With the support of the US Navy, we leveraged the national cyber range-a large, air-gapped cyber testbed equipped with state-of-the-art network and user emulation capabilities-to study six US Naval SOC analysts' usage of two tools. Our analysis identified several serious usability issues, including multiple violations of established usability heuristics for user interface design. We also discovered that analysts lacked a clear mental model of how these tools generate scores, resulting in mistrust a and/or misuse of the tools themselves. Surprisingly, we found no correlation between analysts' level of education or years of experience and their performance with either tool, suggesting that other factors such as prior background knowledge or personality play a significant role in ML-based tool usage. Our findings demonstrate that ML-based security tool vendors must put a renewed focus on working with analysts, both experienced and inexperienced, to ensure that their systems are usable and useful in real-world security operations settings.

Oesch, T↗