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At least 289 records · Page 16

Multiscale Machine-Learned Modeling Infrastructure

The Multiscale Machine-Learned Modeling Infrastructure (MuMMI) is a multiscale workflow management infrastructure that can concurrently orchestrate thousands of molecular dynamics (MD) simulations operating at different time and/or length scales, spanning nanoseconds to seconds and nanometers to micrometers. MuMMI uses machine learning (backed by biology experiments) to guide a massive ensemble of MD simulations that capture biologically relevant time and length scales with unprecedented resolution. MuMMI supports multiple MD codes such as GROMACS and ddcMD and can be fully deployed using the HPC package manager Spack. MuMMI has been used in many publications to run hundreds of thousands simulations, leading to significant biology breakthroughs.

Di Natale, Francesco [Lawrence Livermore National ↗

FleetREDI Insight: Beverage Delivery in New York City

Capturing real-world data is critical to improving efficiency and supporting technology advancements in commercial vehicles. FleetREDI’s insights provide detailed duty cycle information and highlight unique aspects of the given dataset. Each insight delivers a quick look at the collected data by summarizing the operation and identifying key findings of the initial analysis. This FleetREDI insight explores beverage delivery tractors operating in New York City. Last-mile beverage delivery supports local bars and restaurants throughout Manhattan and the broader New York City area. Manhattan Beer Distributors is a beverage delivery company operating in Manhattan and the Bronx. Logging devices were installed in 17 vehicles, and operational data were collected between August and October 2022. Two types of vehicles were included in data collection: 7 tractors and 10 bay trucks. Using NLR’s FleetREDI data platform, this dataset provides a summary of daily operation to help understand duty cycle characteristics. This includes daily distance, fuel use, and estimated engine-produced energy consumption for 17 bay trucks and tractors that operated more than 7,500 miles in slow-speed urban operation. ![FleetREDI beverage delivery](FleetREDI-beverage-delivery-nyc.jpg)

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

FleetREDI Insight: Intrastate Coach Bus Dataset

Capturing real-world data is critical to improving efficiency and supporting technology advancements in commercial vehicles. FleetREDI’s insights provide detailed duty cycle information and highlight unique aspects of the given dataset. Each insight delivers a quick look at the collected data by summarizing the operation and identifying key findings of the initial analysis. This FleetREDI insight explores coach buses operating in Colorado. Coach buses are a primary mover for intrastate transit and are primarily used for longer trips with more comfortable seats and a restroom. All Aboard America! Holdings Inc. offers various fixed-service and charter routes across Colorado on its Bustang fleet out of its depot in Golden, Colorado. NLR installed logging devices and collected operational data on nine 40-foot Bustang motorcoaches operating on fixed routes from May through August 2022. Using NLR’s FleetREDI data platform, this dataset provides a summary of daily operation to help understand duty cycle characteristics. This includes daily distance, fuel use, and estimated engine-produced energy consumption for nine motorcoaches that operated more than 33,000 miles. These vehicles primarily operated on Interstate 25 and Interstate 70. ![FleetREDI interstate bus](FleetREDI-interstate-bus.jpg)

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Restoration Hydro: A Watershed Approach to Standard Modular New Hydropower

The objectives of FOA DE- FOA-0001836- “Standard Modular Hydropower” included designing a standardized, modular, and environmentally compatible hydropower schematic for implementation in greenfield sites that generate up to 10 MW of capacity. Utilizing funds competitively awarded under DOE’s Water Power Technologies Office, the Natel Energy team developed a concept for modular new stream reach (NSR) hydropower that incorporates multi species upstream and downstream fish passage, improved river channel connectivity, and recreational modules. The in-stream design of the collective modules minimized site specific design and maximized the opportunities for modularity. Financial data was also presented using actual costs from regional suppliers, with figures provided in 2022 dollars. While the project team did not address potential permitting process improvements, the site selection criteria did consider established barriers to hydropower development such as tribal and preserved lands, interconnection proximity, and endangered species to exclude or deprioritize. The project’s design schematic met the objectives of the FOA, and presented a unique solution that targets alluvial pockets as natural features for sustainable development. Natel’s concept also incorporated the company's fish-safe Restoration Hydro Turbine for safe downstream passage, while featuring a rock arch that integrates fish passage, water, recreation, and grade control modules (including sediment). Alignment with the Department of Energy Office of Energy Efficiency and Renewable Energy (EERE) “Innovative Design Concepts for Standard Modular Hydropower and Pumped-Storage Hydropower” Program: According to the Hydropower Vision (DOE, 2016), approximately 16 GW of hydropower growth is possible with the development of technology solutions that balance efficiency, economics, and environmental sustainability. The desired outcome of the SMH program is transformational innovation specifically in the site identification, conceptual, and detailed design phases of technology development lifecycles (DOE, 2018). In developing the SMH design schematic, the team aimed to address the opportunities outlined in the Vision through an inverted design philosophy; rather than singularly prioritizing efficiency and power production, the team focused on integrating hydropower with restoration of degraded streams to optimal ecosystem function and provision of exceptional recreation value as design criteria. To achieve this, Restoration Hydro incorporates the principles of nature-based engineering (WWAP, 2018) and biomimicry (Biomimicry NL.) to strategically deploy complementary combinations of permanent, semi-permanent, and ephemeral low-head structures - such as natural and engineered log jams - that harness geomorphological and hydrological processes at the landscape-scale. Primary applications of Restoration Hydro include: 1) restoration of degraded watersheds’ natural ecological function and enhancement of hydrological connectivity; and 2) creation of associated co-benefits to hydro production, including increased groundwater recharge, improved sediment transport and management, improved water security and water quality. Restoration Hydro projects build upon proven watershed restoration engineering techniques by integrating hydropower turbines into low-head structures using innovative and evolving civil works concepts that facilitate fish and sediment passage, and in some cases create additional revenue-generating recreational opportunities. Powering low-head structures creates a directly monetizable layer of economic value in the form of flexible, reliable, renewable energy on top of the already high-value water, environmental and recreational benefits of watershed and river restoration. The approach aims to create a virtuous, self-reinforcing cycle whereby Restoration Hydro projects support the scaling of ecosystem restoration activities, creating a water-energy-carbon multiplier effect that, through the principles of adaptive change management: 1) improves the resilience of landscapes and downstream population centers for changing hydrological cycles; 2) creates a reliable energy resource that facilitates the integration of intermittent renewable power sources into grids; and 3) supports climate change mitigation through grid decarbonization and enhanced ecosystem carbon capture and retention.

13 HYDRO ENERGY↗

Sequential Design of Experiments for Pilot Testing of Novel Solvent System

The CCSI2 program is supporting a six-month test campaign at the National Carbon Capture Center (NCCC) for evaluation of a novel water-lean solvent. This presentation describes CCSI2’s efforts in process modeling of the solvent system for both coal and natural gas-based flue gas sources and initial uncertainty quantification (UQ) work to estimate parametric uncertainty in key sub-models of interest (e.g., thermodynamics, mass transfer, reaction kinetics). Moreover, perspective is provided on how UQ and sequential design of experiments (SDoE) tools are used to assess the impact of model uncertainty on projected process performance, use this information to optimize data collection during the campaign, and refine process models through data collection. This framework is expected to reduce the overall model uncertainty, and thus risk associated with scale-up as the process moves towards commercialization.

Morgan, Joshua↗

Empirical orthogonal functions and multiple flow regimes in the Southern Hemisphere winter

A new empirical orthogonal function (EOF) analysis of winter 500 mb geopotential height anomalies in the Southern Hemisphere is presented. An earlier EOF analysis prefiltered the anomalies to exclude wavenumbers 5 and higher; the present analysis does not. The different preprocessing of data affects the results. All three distinct planetary flow regimes identified in the winter circulation of the Southern Hemisphere by a pattern correlation method are captured by the new set of EOFs; only two of those regimes were captured by the earlier set. The new results, therefore, lend further support to the idea that EOFs point to distinct planetary flow regimes.

Farrara, John D.↗

First Observation of Jupiter by XMM-Newton

We present the first X-ray observation of Jupiter by XMM-Newton. Images taken with the EPIC cameras show prominent emission, essentially all confined to the 0.2-2.0 keV band, from the planet s auroral spots; their spectra can be modelled with a combination of unresolved emission lines of highly ionised oxygen (OW and O W) , and a pseudo-continuum which may also be due to the superposition of many weak lines. A 2.8 enhancement in the RGS spectrum at 21-22 A (-0.57 keV) is consistent with an O W identification. Our spectral analysis supports the hypothesis that Jupiter s auroral emissions originate from the capture and acceleration of solar wind ions in the planet s magnetosphere, followed by X-ray production by charge exchange. The X-ray flux of the North spot is modulated at Jupiter s rotation period. We do not detect evidence for the -45 min X-ray oscillations observed by C W r u more than two years earlier. Emission from the equatorial regions of the planet s disk is also observed. Its spectrum is consistent with that of scattered solar X-rays.

Branduardi-Raymont, G.↗

Exact and Approximate Probabilistic Symbolic Execution

Probabilistic software analysis seeks to quantify the likelihood of reaching a target event under uncertain environments. Recent approaches compute probabilities of execution paths using symbolic execution, but do not support nondeterminism. Nondeterminism arises naturally when no suitable probabilistic model can capture a program behavior, e.g., for multithreading or distributed systems. In this work, we propose a technique, based on symbolic execution, to synthesize schedulers that resolve nondeterminism to maximize the probability of reaching a target event. To scale to large systems, we also introduce approximate algorithms to search for good schedulers, speeding up established random sampling and reinforcement learning results through the quantification of path probabilities based on symbolic execution. We implemented the techniques in Symbolic PathFinder and evaluated them on nondeterministic Java programs. We show that our algorithms significantly improve upon a state-of- the-art statistical model checking algorithm, originally developed for Markov Decision Processes.

Symbolic Execution↗

Charter for Systems Engineer Working Group

This charter establishes the International Space Station Program (ISSP) Mobile Servicing System (MSS) Systems Engineering Working Group (SEWG). The MSS SEWG is established to provide a mechanism for Systems Engineering for the end-to-end MSS function. The MSS end-to-end function includes the Space Station Remote Manipulator System (SSRMS), the Mobile Remote Servicer (MRS) Base System (MBS), Robotic Work Station (RWS), Special Purpose Dexterous Manipulator (SPDM), Video Signal Converters (VSC), and Operations Control Software (OCS), the Mobile Transporter (MT), and by interfaces between and among these elements, and United States On-Orbit Segment (USOS) distributed systems, and other International Space Station Elements and Payloads, (including the Power Data Grapple Fixtures (PDGFs), MSS Capture Attach System (MCAS) and the Mobile Transporter Capture Latch (MTCL)). This end-to-end function will be supported by the ISS and MSS ground segment facilities. This charter defines the scope and limits of the program authority and document control that is delegated to the SEWG and it also identifies the panel core membership and specific operating policies.

Suffredini, Michael T.↗

Water Stress in Global Transboundary River Basins: Significance of Upstream Water Use on Downstream Stress

Growing population and water demand have increased pressure on water resources in various parts of the globe, including many transboundary river basins. While the impacts of upstream water use on downstream water availability have been analyzed in many of these international river basins, this has not been systematically done at the global scale using coherent and comparable datasets. In this study, we aim to assess the change in downstream water stress due to upstream water use in the world's transboundary river basins. Water stress was first calculated considering only local water use of each sub-basin based on country-basin mesh, then compared with the situation when upstream water use was subtracted from downstream water availability. Wefound that water stress was generally already high when considering only local water use, affecting 0.95-1.44 billion people or 33%-51% of the population in transboundary river basins. After accounting for upstream water use, stress level increased by at least 1 percentage-point for 30-65 sub-basins, affecting 0.29-1.13 billion people. Altogether 288 out of 298 middle-stream and downstream sub-basin areas experienced some change in stress level. Further, we assessed whether there is a link between increased water stress due to upstream water use and the number of conflictive and cooperative events in the transboundary river basins, as captured by two prominent databases. No direct relationship was found. This supports the argument that conflicts and cooperation events originate from a combination of different drivers, among which upstream-induced water stress may play a role. Our findings contribute to better understanding of upstream-downstream dynamics in water stress to help address water allocation problems.

Water↗

Industry Inputs into Future NASA Project Planning

NASA is currently formulating its plans for follow-on related work that builds upon knowledge gained in ATD related activities and collaborative engagements with the aviation community. The NASA Air Traffic Management - eXploration (ATM-X) project has the desire to continue this engagement with the aviation industry and capture industry inputs to continue development of their plans and is supporting this outreach with the ATD-2 team.

ATD↗

Formal Requirements Elicitation with FRET

FRET is a tool for writing, understanding, formalizing and analyzing requirements. Users write requirements in an intuitive, restricted natural language, called FRETISH, with precise, unambiguous meaning. For a FRETISH requirement, FRET: 1) produces natural language and diagrammatic explanations of its exact meaning, 2) formalizes the requirement in logics, and 3) supports interactive simulation of produced logic formulas to ensure that they capture user intentions. FRET connects to analysis tools by facilitating the mapping between requirements and models/code, and by generating verification code. FRET is available open source at https://github.com/NASA-SW-VnV/fret; a video can be accessed at : https://tinyurl.com/fretForREFSQ.

Giannakopoulou, Dimitra↗

NASA's Identified Risk of Adverse Outcomes due to Inadequate Human Systems Integration Architecture

The NASA Human System Risk Board (HSRB) is responsible for tracking the evolution of the top ~30 human system risks identified to be associated with human spaceflight. As part of this process, the Board is charged with maintaining a consistent, integrated process to evaluate those risks and developing evidence-based risk posture recommendations. Risks are ranked by likelihood and consequence. Intermediate causal relationships between risk contributing factors and countermeasures that link hazards to outcomes are described using Directed Acyclic Graphs (DAGs). The DAGs are also useful for identifying common factors and countermeasures across the top 30 risks as well as communicating how astronaut exposure to spaceflight hazards leads to meaningful mission-level health and performance outcomes. One of the top risks tracked by the HSRB is The Risk of Adverse Outcomes Due to Inadequate Human-Systems Integration Architecture (HSIA). This risk captures the possibility that due to decreasing real-time ground support during missions beyond LEO, crew will be unable to adequately respond to unanticipated critical malfunctions or detect safety-critical procedural errors. The HSIA risk is ranked red (high) for Lunar surface and Mars missions due to the probability of Loss of Crew and Loss of Mission consequences. This paper describes the evidence that supports the HSIA risk ranking and presents the central narrative of the HSIA risk DAG-- i.e., anomaly detection, diagnosis, intervention, and task performance. Characterizations of the current state of practice for each of the DAG’s central nodes and the future tools needed for successful anomaly response are provided.

human-systems integration architecture↗

Development of mechanistic, microstructure-informed BISON models for fission product-induced failure mechanisms in advanced nuclear fuels

The US continues to prioritize commercial deployment of advanced reactors—particularly those utilizing U-Zr metallic and TRISO particle fuels. Fission product-induced failure mechanisms for these systems include fuel–cladding chemical interaction in metallic fuel rods, which threatens cladding integrity, and Pd penetration in TRISO particles, which degrades SiC layer properties. Empirical models can be applied within the bounds of existing irradiation databases, but their utility is limited when considering new designs or investigating fundamental material behaviors. The Nuclear Energy Advanced Modeling and Simulation Program is therefore developing mechanistic models for these behaviors, which are expected to aid in fuel design, assist in development of failure mitigation strategies, and provide support for qualification and licensing. These efforts leverage multiscale capabilities to capture the microstructural features and processes that govern these behaviors. This talk summarizes past and ongoing efforts to develop and validate these models for the BISON fuel performance code.

FCCI↗

XTCE (XML Telemetric and Command Exchange) Standard Making It Work at NASA. Can It Work For You?

The XML Telemetric and Command Exchange (XTCE) standard is intended as a way to describe telemetry and command databases to be exchanged across centers and space agencies. XTCE usage has the potential to lead to consolidation of the Mission Operations Center (MOC) Monitor and Control displays for mission cross-support, reducing equipment and configuration costs, as well as a decrease in the turnaround time for telemetry and command modifications during all the mission phases. The adoption of XTCE will reduce software maintenance costs by reducing the variation between our existing mission dictionaries. The main objective of this poster is to show how powerful XTCE is in terms of interoperability across centers and missions. We will provide results for a use case where two centers can use their local tools to process and display the same mission telemetry in their MOC independently of one another. In our use case we have first quantified the ability for XTCE to capture the telemetry definitions of the mission by use of our suite of support tools (Conversion, Validation, and Compliance measurement). The next step was to show processing and monitoring of the same telemetry in two mission centers. Once the database was converted to XTCE using our tool, the XTCE file became our primary database and was shared among the various tool chains through their XTCE importers and ultimately configured to ingest the telemetry stream and display or capture the telemetered information in similar ways.Summary results include the ability to take a real mission database and real mission telemetry and display them on various tools from two centers, as well as using commercially free COTS.

CCSDS↗

Feasibility of the SIMAC for the NASA Docking System

In April 2012, NASA directed Boeing to conduct a study to assess the feasibility of implementing a simplified soft capture system, as a possible replacement for the soft capture system portion of the baseline NASA Docking System (NDS). This paper describes the study conducted and conclusions drawn that supported the selection of the Soft Impact Mating and Attenuation Concept (SIMAC) as the replacement of the International Low Impact Docking System's (iLIDS) soft capture system.

Motaghedi, Pejmun↗

Asteroid Redirect Crewed Mission Nominal Design and Performance

In 2010, the President announced that, in 2025, the U.S. intended to launch a human mission to an asteroid [1]. This announcement was followed by the idea of a Capability Driven Framework (CDF) [2], which is based on the idea of evolving capabilities from less demanding to more demanding missions to multiple possible destinations and with increased flexibility, cost effectiveness and sustainability. Focused missions, such as a NASA inter-Center study that examined the viability and implications of sending a crew to a Near Earth Asteroid (NEA) [3], provided a way to better understand and evaluate the utility of these CDF capabilities when applied to an actual mission. The long duration of the NEA missions were contrasted with a concept described in a study prepared for the Keck Institute of Space Studies (KISS) [4] where a robotic spacecraft would redirect an asteroid to the Earth-Moon vicinity, where a relatively short duration crewed mission could be conducted to the captured asteroid. This mission concept was included in the National Aeronautics and Space Administration (NASA) fiscal year 2014 budget request, as submitted by the NASA Administrator [5]. NASA studies continued to examine the idea of a crewed mission to a captured asteroid in the Earth-Moon vicinity. During this time was an announcement of NASA's Asteroid Grand Challenge [6]. Key goals for the Asteroid Grand Challenge are to locate, redirect, and explore an asteroid, as well as find and plan for asteroid threats. An Asteroid Redirect Mission (ARM) study was being conducted, which supports this Grand Challenge by providing understanding in how to execute an asteroid rendezvous, capture it, and redirect it to Earth-Moon space, and, in particular, to a distant retrograde orbit (DRO). Subsequent to the returning of the asteroid to a DRO, would be the launch of a crewed mission to rendezvous with the redirected asteroid. This report examines that crewed mission by assessing the Asteroid Redirect Crewed Mission (ARCM) nominal design and performance costs associated with an Orion based crewed rendezvous mission to a captured asteroid in an Earth-Moon DRO. The ARM study includes two fundamental mission phases: 1) The Asteroid Redirect Robotic Mission (ARRM) and 2) the ARCM. The ARRM includes a solar electric propulsion based robotic asteroid return vehicle (ARV) sent to rendezvous with a selected near Earth asteroid, capture it, and return it to a DRO in the Earth-Moon vicinity. The DRO is selected over other possible asteroid parking orbits due to its achievability (by both the robotic and crewed vehicles) and by its stability (e.g., no orbit maintenance is required). After the return of the asteroid to the Earth-Moon vicinity, the ARCM is executed and carries a crew of two astronauts to a DRO to rendezvous with the awaiting ARV with the asteroid. The outbound and inbound transfers employ lunar gravity assist (LGA) flybys to reduce the Orion propellant requirement for the overall nominal mission, which provides a nominal mission with some reserve propellant for possible abort situations. The nominal mission described in this report provides a better understanding of the mission considerations as well as the feasibility of such a crewed mission, particularly with regard to spacecraft currently undergoing development, such as the Orion vehicle and the Space Launch System (SLS).

Condon, Gerald↗

Efficient Capture and Release of the Rare-Earth Element Neodymium in Aqueous Solution by Recyclable Covalent Organic Frameworks

Rare-earth elements (REEs) are present in a broad range of critical materials. The development of solid adsorbents for REE capture could enable the cost-effective recycling of REE-containing magnets and electronics. In this context, covalent organic frameworks (COFs) are promising candidates for REE adsorption due to their exceptionally high surface area. Despite having attractive physical properties, COFs are heavily underutilized for REE capture applications due to their limited lifecycle in aqueous acidic environments, as well as synthetic challenges associated with the incorporation of ligands suitable for REE capture. Here, in this work, we show how the Ugi multicomponent reaction can be leveraged to postsynthetically modify imine-based COFs for the introduction of a diglycolic acid (DGA) moiety, an efficient scaffold for REE capture. The adsorption capacity of the DGA-functionalized COF was found to be more than 40 times higher than that of the pristine imine COF precursor and more than four times higher than that of the next-best reported DGA-functionalized solid support. This rationally designed COF has appealing characteristics of high adsorption capacity, fast and efficient capture and release of the REE ions, and reliable recyclability, making it one of the most promising adsorbents for solid–liquid REE ion extractions reported to date.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗