Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “concurrent solutions”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

305 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Free Energies of Proton-Coupled Electron Transfer Reagents and Their Applications

Here, we present an update and revision to our 2010 review on the topic of proton- coupled electron transfer (PCET) reagent thermochemistry. Over the past decade, the data and thermochemical formalisms presented in that review have been of value to multiple fields. Concurrently, there have been advances in the thermochemical cycles and experimental methods used to measure these values. This Review (i) summarizes those advancements, (ii) corrects systematic errors in our prior review that shifted many of the absolute values in the tabulated data, (iii) provides updated tables of thermochemical values, and (iv) discusses new conclusions and opportunities from the assembled data and associated techniques. We advocate for updated thermochemical cycles that provide greater clarity and reduce experimental barriers to the calculation and measurement of Gibbs free energies for the conversion of X to XHn in PCET reactions. In particular, we demonstrate the utility and generality of reporting potentials of hydrogenation, E°(V vs H 2 ), in almost any solvent and how these values are connected to more widely reported bond dissociation free energies (BDFEs). The tabulated data demonstrate that E°(V vs H 2 ) and BDFEs are generally insensitive to the nature of the solvent and, in some cases, even to the phase (gas versus solution). This Review also presents introductions to several emerging fields in PCET thermochemistry to give readers windows into the diversity of research being performed. Some of the next frontiers in this rapidly growing field are coordination-induced bond weakening, PCET in novel solvent environments, and reactions at material interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1996

Discrete Deterministic and Stochastic Petri Nets

Petri nets augmented with timing specifications gained a wide acceptance in the area of performance and reliability evaluation of complex systems exhibiting concurrency, synchronization, and conflicts. The state space of time-extended Petri nets is mapped onto its basic underlying stochastic process, which can be shown to be Markovian under the assumption of exponentially distributed firing times. The integration of exponentially and non-exponentially distributed timing is still one of the major problems for the analysis and was first attacked for continuous time Petri nets at the cost of structural or analytical restrictions. We propose a discrete deterministic and stochastic Petri net (DDSPN) formalism with no imposed structural or analytical restrictions where transitions can fire either in zero time or according to arbitrary firing times that can be represented as the time to absorption in a finite absorbing discrete time Markov chain (DTMC). Exponentially distributed firing times are then approximated arbitrarily well by geometric distributions. Deterministic firing times are a special case of the geometric distribution. The underlying stochastic process of a DDSPN is then also a DTMC, from which the transient and stationary solution can be obtained by standard techniques. A comprehensive algorithm and some state space reduction techniques for the analysis of DDSPNs are presented comprising the automatic detection of conflicts and confusions, which removes a major obstacle for the analysis of discrete time models.

MATHEMATICAL MODELS↗
NASA NTRS1994

Performance results of cooperating expert systems in a distributed real-time monitoring system

There are numerous definitions for real-time systems, the most stringent of which involve guaranteeing correct system response within a domain-dependent or situationally defined period of time. For applications such as diagnosis, in which the time required to produce a solution can be non-deterministic, this requirement poses a unique set of challenges in dynamic modification of solution strategy that conforms with maximum possible latencies. However, another definition of real time is relevant in the case of monitoring systems where failure to supply a response in the proper (and often infinitesimal) amount of time allowed does not make the solution less useful (or, in the extreme example of a monitoring system responsible for detecting and deflecting enemy missiles, completely irrelevant). This more casual definition involves responding to data at the same rate at which it is produced, and is more appropriate for monitoring applications with softer real-time constraints, such as interplanetary exploration, which results in massive quantities of data transmitted at the speed of light for a number of hours before it even reaches the monitoring system. The latter definition of real time has been applied to the MARVEL system for automated monitoring and diagnosis of spacecraft telemetry. An early version of this system has been in continuous operational use since it was first deployed in 1989 for the Voyager encounter with Neptune. This system remained under incremental development until 1991 and has been under routine maintenance in operations since then, while continuing to serve as an artificial intelligence (AI) testbed in the laboratory. The system architecture has been designed to facilitate concurrent and cooperative processing by multiple diagnostic expert systems in a hierarchical organization. The diagnostic modules adhere to concepts of data-driven reasoning, constrained but complete nonoverlapping domains, metaknowledge of global consequences of anomalous data, hierarchical reporting of problems that extend beyond a single domain, and shared responsibility for problems that overlap domains. The system enables efficient diagnosis of complex system failures in real-time environments with high data volumes and moderate failure rates, as indicated by extensive performance measurements.

Schwuttke, U. M.↗
NASA NTRS2017

Control Demonstration of Multiple Doubly-Fed Induction Motors for Hybrid Electric Propulsion

The Convergent Aeronautics Solutions (CAS) High Voltage-Hybrid Electric Propulsion (HVHEP) task was formulated to support the move into future hybrid-electric aircraft. The goal of this project is to develop a new AC power architecture to support the needs of higher efficiency and lower emissions. This proposed architecture will adopt the use of the doubly-fed induction machine (DFIM) for propulsor drive motor application.The Convergent Aeronautics Solutions (CAS) High Voltage-Hybrid Electric Propulsion (HVHEP) task was formulated to support the move into future hybrid-electric aircraft. The goal of this project is to develop a new AC power architecture to support the needs of higher efficiency and lower emissions. This proposed architecture will adopt the use of the doubly-fed induction machine (DFIM) for propulsor drive motor application. DFIMs are attractive for several reasons, including but not limited to the ability to self-start, ability to operate sub- and super-synchronously, and requiring only fractionally rated power converters on a per-unit basis depending on the required range of operation. The focus of this paper is based specifically on the presentation and analysis of a novel strategy which allows for independent operation of each of the aforementioned doubly-fed induction motors. This strategy includes synchronization, soft-start, and closed loop speed control of each motor as a means of controlling output thrust; be it concurrently or differentially. The demonstration of this strategy has recently been proven out on a low power test bed using fractional horsepower machines. Simulation and hardware test results are presented in the paper.

CAS↗
NASA NTRS2006

Imagine Moving Off the Planet

Moving off the planet will be a defining moment of this century as landing on the Moon was in the last. For that to happen for humans to go where humans cannot go-- simulation is the sole solution. NASA supports simulation for life-cycle activities: design, analysis, test, checkout, operations, review and training. We contemplate time spans of a century and more, teams dispersed to different planets and the need for systems that endure or adapt as missions, teams and technology change. Without imagination such goals are impossible. But with imagination we can go outside our present perception of reality to think about and take action on what has been, is and, especially, what might be. Consciously maturing an imagined, possibly workable, idea through framing it to optimization to design, and building the product provides us with a new approach to innovation and simulation fidelity. We address options, analyze, test and make improvements in how we think and work. Each step includes increasingly exact information about costs, schedule, who will be needed, where, when and how. NASA i integrating such thinking into its Exploration Product Realization Hierarchy for simulation and analysis, test and verification, and stimulus response goals. Technically NASA follows a timeline of studies, analysis, definition, design, development and operations with concurrent documentation. We have matched this Product Realization Hierarchy with a continuum from image to realization that incorporates commitment, current and needed research and communication to ensure superior and creative problem solving as well as advances in simulation. One result is a new approach to collaborative systems. Another is a distributed observer network prototyped using game engine technology bringing advanced 3-D simulation of a simulation to the desktop enabling people to develop shared consensus of its meaning. Much of the value of simulation comes from developing in people their ability to make good decisions and reflexes supporting impressive achievement. Synthesizing imagination systematically into our work - and thus our success - is a challenge. NASA engineers have inventive minds, and the task is determining how best to enable them to devise the simulation and other innovations that will make a story so clear and so intellectually sound that people can carry out the mission for 50-100 years. This demands skills and knowledge traditionally under-respected and under-represented in technology organizations. But we are beginning to see that the process encourages efficiency and enables us to attain more effective results. We have to elicit imaginative, intelligent and effective ways to make better use than ever of the minds we have and will have available. We have to accept the challenge to accomplish tasks among dispersed interdisciplinary teams who must overcome changing priorities and technology, time and distance in order to maximize interactivity and innovation as never before. Attention to the process of innovation is a practical means to increase the efficiency of our intelligence. We have an obligation to reexamine and improve the process by which we approach and exercise innovation as we accept the charge to move off the planet.

Elfrey, Priscilla R.↗
NASA NTRS2000

Analysis of Phase-Type Stochastic Petri Nets With Discrete and Continuous Timing

The Petri net formalism is useful in studying many discrete-state, discrete-event systems exhibiting concurrency, synchronization, and other complex behavior. As a bipartite graph, the net can conveniently capture salient aspects of the system. As a mathematical tool, the net can specify an analyzable state space. Indeed, one can reason about certain qualitative properties (from state occupancies) and how they arise (the sequence of events leading there). By introducing deterministic or random delays, the model is forced to sojourn in states some amount of time, giving rise to an underlying stochastic process, one that can be specified in a compact way and capable of providing quantitative, probabilistic measures. We formalize a new non-Markovian extension to the Petri net that captures both discrete and continuous timing in the same model. The approach affords efficient, stationary analysis in most cases and efficient transient analysis under certain restrictions. Moreover, this new formalism has the added benefit in modeling fidelity stemming from the simultaneous capture of discrete- and continuous-time events (as opposed to capturing only one and approximating the other). We show how the underlying stochastic process, which is non-Markovian, can be resolved into simpler Markovian problems that enjoy efficient solutions. Solution algorithms are provided that can be easily programmed.

Jones, Robert L.↗
DOE OSTI2022

Proximity Portability and in Transit , M-to-N Data Partitioning and Movement in SENSEI [Book Chapter]

In high-performance parallel in situ processing, the term in transit processing refers to those configurations where data must move from a producer to a consumer that runs on separate resources. In the context of parallel and distributed computing on an HPC platform one of the central challenges is to determine a mapping of data from producer ranks to consumer ranks. This problem is complicated by the heterogeneity that arises in producer-consumer pairs, such as when producer and consumer codes have different levels of concurrency, different scaling characteristics, or different data models. The resulting mapping and movement of data from M producer to N consumer ranks can have a significant impact on aggregate application performance, particularly when the data consumer requires only a subset of the overall data for its task. This chapter focuses on the design considerations that underlie SENSEI’s implementation to this challenging problem. These design considerations extend the core SENSEI architecture and include ideas like the need to accommodate flexibility in the choice of different partitioning methods, the ability for a data consumer to request and receive only the subset of data needed for its particular operation, and the ability to leverage any of several different data transport tools. The idea of proximity portability, being able to use different data transport methods as part of an in transit workflow, is illustrated through the use of three different transport layers where switching from one transport tool to another is accomplished with only a configuration file change. Here, the chapter also includes a performance analysis summary showing the performance gains that are possible in terms of multiple metrics, such as memory footprint, time to solution, and amount of data moved, when using optimized partitioners in an in transit setting, gains that are made possible by the implementation shaped by specific design considerations.

Bethel, E. Wes↗
DOE OSTI2026

CHESS 2025: Leaf Area Index (LAI) for meadow, shrub, tree, and understory vegetation

This dataset contains Leaf Area Index (LAI) measurements made as part of the Colorado Headwaters Ecological Spectroscopy Study (CHESS) during June and July of 2025. Data were collected in the Upper Gunnison Basin, Colorado, across three study domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). Field observations of LAI were collected within 72 hours of airborne data collection by the National Ecological Observatory Network’s Aerial Observation Platform (NEON AOP). The NEON AOP collected waveform LiDAR (Light Detection and Ranging) and imaging spectrometer data in 426 spectral bands from the visible to shortwave infrared. LAI measurements were collected using the LICOR LAI-2200C Plant Canopy Analyzer following protocols outlined in the instrument manual (LI-COR 2019). Sampling targeted four distinct vegetation types: meadows, shrubs, trees, and aspen forest understory. We have archived data separately by site type because different field methods were used for each. At meadow sites, measurements were made at the four corners of 1m x 1m plots, with the instrument moving inward toward the center of the plot. At shrub sites, we measured the canopies of individual shrubs. At tree sites, we made measurements within a 10m x 10m subplot centered around a focal tree, with 30 observations taken on a regular grid. At aspen understory sites, we measured overstory trees following the tree protocol and understory herbaceous vegetation following the meadow protocol. All measurements included above-canopy (A) and below-canopy (B) readings, with specific protocols for scattering correction measurements in direct-sun conditions. Data were processed using the R package `rlai` (Worsham 2025). This package includes functions to calculate LAI, gap fraction, apparent clumping factor (Ω), scattering correction, and other canopy metrics. Package contents: Full file descriptions appear in ‘flmd.csv’. Files named according to the convention ‘lai_*_summary_data_cleaned.csv’ contain summary values of LAI, apparent clumping factor (Ωapp), and scattering correction factors for each site. These are the analysis-ready products that most data users will work with. Files named ‘lai_*_metadata_cleaned.csv’ contain additional site-level observations made during field collection. We have also archived intermediate and supplementary data for users who wish to check our processing approach or apply alternative methods. ‘raw_lai_2200C.zip’ contains the raw files as read from the LI-COR instrument, with no processing applied, in TXT format. The zip archive contains subdirectories by site type, which are further subdivided by sampling area. Filenames correspond to the sampling site number. ‘intermediate_results.zip’ contains detailed output from the processing routines, in JSON format. The zip archive contains subdirectories by site type; filenames correspond to the sampling site number. ‘scattering_correction_logs.zip’ contains logfiles from the implementation of Kobayashi et al.'s (2013) scattering correction algorithm. The logfiles report values of several parameters at each iteration of the algorithm, as the model converges toward a stable solution. They are intended for users who want to verify scattering correction performance. The zip archive contains subdirectories by site type; filenames correspond to the sampling site number. ‘spot_checks.csv’ reports LAI and other values for a small number of files processed with LI-COR FV2200 software (LI-COR 2013) using the same control parameters as in our R-based approach. Additional metadata are provided in a data dictionary describing column names and definitions (dd.csv), and in a file-level metadata file (flmd.csv). All zip files can be expanded with common archive utilities. TXT, CSV, and JSON files can be ingested into R or Python computing environments or read in common text editor utilities. Geospatial information: Geospatial data for mapping measurement site locations are in the files CHESS_polygons_lai_UTM.geojson, CHESS_polygons_shrub_UTM.geojson, and CHESS_polygons_meadow_UTM.geojson in the companion geospatial package for the 2025 CHESS campaign, ‘CHESS 2025: Location data for field observations and sampling’ (Henderson et al., 2026). CHESS Project Description: The Colorado Headwaters Ecological Spectroscopy Study (CHESS) comprised a multi-week airborne remote sensing and field observation campaign in the Upper Gunnison Basin, Colorado, conducted in June and July of 2025. Airborne remote sensing was conducted by the National Ecological Observatory Network Airborne Observation Platform (NEON AOP), concurrent with a field campaign run by the Rocky Mountain Biological Laboratory (RMBL), the Lawrence Berkeley National Laboratory (LBNL) and SLAC National Accelerator Laboratory Watershed Function Science Focus Area (SFA), and NASA-JPL (Jet Propulsion Laboratory) Earth Surface Mineral Dust Source Investigation (EMIT) program. Between June 10 and July 18, 2025, the NEON AOP flight team collected high-resolution aerial imaging spectroscopy and Light Detection and Ranging (LiDAR) data over three domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). In coordination with the flights, a field campaign acquired ground-truth observations, including observations of vegetation composition, foliar traits, forest demography, and subsurface properties in 18 core sampling areas within the domains. Additional surface water observations were taken at over 380 point locations. All CHESS campaign datasets can be found within the CHESS ESS-DIVE data portal: https://data.ess-dive.lbl.gov/portals/chess. Funding Acknowledgement: Field and remote-sensing data acquisition was performed under a grant from the National Aeronautics and Space Administration (80NSSC24K1005). This work was also supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231. * Todorov and Worsham are co–first authors.

2018 NEON and 2025 CHESS Campaigns↗
NASA NTRS1998

Aircraft Structural Mass Property Prediction Using Conceptual-Level Structural Analysis

This paper describes a methodology that extends the use of the Equivalent LAminated Plate Solution (ELAPS) structural analysis code from conceptual-level aircraft structural analysis to conceptual-level aircraft mass property analysis. Mass property analysis in aircraft structures has historically depended upon parametric weight equations at the conceptual design level and Finite Element Analysis (FEA) at the detailed design level ELAPS allows for the modeling of detailed geometry, metallic and composite materials, and non-structural mass coupled with analytical structural sizing to produce high-fidelity mass property analyses representing fully configured vehicles early in the design process. This capability is especially valuable for unusual configuration and advanced concept development where existing parametric weight equations are inapplicable and FEA is too time consuming for conceptual design. This paper contrasts the use of ELAPS relative to empirical weight equations and FEA. ELAPS modeling techniques are described and the ELAPS-based mass property analysis process is detailed Examples of mass property stochastic calculations produced during a recent systems study are provided This study involved the analysis of three remotely piloted aircraft required to carry scientific payloads to very high altitudes at subsonic speeds. Due to the extreme nature of this high-altitude flight regime,few existing vehicle designs are available for use in performance and weight prediction. ELAPS was employed within a concurrent engineering analysis process that simultaneously produces aerodynamic, structural, and static aeroelastic results for input to aircraft performance analyses. The ELAPS models produced for each concept were also used to provide stochastic analyses of wing structural mass properties. The results of this effort indicate that ELAPS is an efficient means to conduct multidisciplinary trade studies at the conceptual design level.

Sexstone, Matthew G.↗
NASA NTRS1998

Aircraft Structural Mass Property Prediction Using Conceptual-Level Structural Analysis

This paper describes a methodology that extends the use of the Equivalent LAminated Plate Solution (ELAPS) structural analysis code from conceptual-level aircraft structural analysis to conceptual-level aircraft mass property analysis. Mass property analysis in aircraft structures has historically depended upon parametric weight equations at the conceptual design level and Finite Element Analysis (FEA) at the detailed design level. ELAPS allows for the modeling of detailed geometry, metallic and composite materials, and non-structural mass coupled with analytical structural sizing to produce high-fidelity mass property analyses representing fully configured vehicles early in the design process. This capability is especially valuable for unusual configuration and advanced concept development where existing parametric weight equations are inapplicable and FEA is too time consuming for conceptual design. This paper contrasts the use of ELAPS relative to empirical weight equations and FEA. ELAPS modeling techniques are described and the ELAPS-based mass property analysis process is detailed. Examples of mass property stochastic calculations produced during a recent systems study are provided. This study involved the analysis of three remotely piloted aircraft required to carry scientific payloads to very high altitudes at subsonic speeds. Due to the extreme nature of this high-altitude flight regime, few existing vehicle designs are available for use in performance and weight prediction. ELAPS was employed within a concurrent engineering analysis process that simultaneously produces aerodynamic, structural, and static aeroelastic results for input to aircraft performance analyses. The ELAPS models produced for each concept were also used to provide stochastic analyses of wing structural mass properties. The results of this effort indicate that ELAPS is an efficient means to conduct multidisciplinary trade studies at the conceptual design level.

Sexstone, Matthew G.↗
NASA NTRSDate not supplied

Supply and Resource Management to Progressively Enable EIMO

BACKGROUND: Current medical operations in Low Earth Orbit (LEO) allow for real-time audio-video communication with a flight surgeon at mission control, resupply, and medical evacuation to earth on the order of hours. As mission profiles change from LEO to the Moon, Mars, and beyond, medical risk as a contribution to overall mission risk is anticipated to rise substantially. Concurrently, due to the distance, the medical systems on board vehicles proposed for these mission types are expected to have reduced mass and volume allocation. Together, astronaut crews will be at a higher risk of major medical events, be required to perform a broader set of tasks, and have substantially reduced resources and support to do so. Earth Independent Medical Operations (EIMO) aims to identify and fill the gaps present in this progressively changing paradigm. OVERVIEW: Medical supplies, resources, and skills are central to spaceflight medical systems. Vehicles used for non-LEO missions are anticipated to be smaller and thus the medical system will also need to have reduced mass, volume, and power. Medical resources are another form of consumable and may need resupply or pre-deployment to meet crew needs. One particular concern is the degradation of medications which become less efficacious and potentially toxic with time, particularly given environmental conditions such as temperature, humidity, oxygen, and radiation which have not yet been fully studied. Supply and resource management in LEO is dependent on resupply, however the supply chain of transporting equipment does not yet have a clear infrastructure for missions beyond LEO. DISCUSSION: EIMO is intended to systemically identify and fill these gaps with forward-looking solutions. In mission monitoring of resources with technology like RFID, improving medical resource longevity, targeted resupply and careful pre-mission planning will be central to facilitate crew health and performance. One approach to optimizing resources is the Informing Mission Planning via Analysis of Complex Tradespaces (IMPACT) tool, which uses probabilistic risk assessment (PRA) to quantitatively predict medical risk and identify resources and skills that mitigate this risk. This evidence based, quantitative analysis prediction tool and several other approaches to meeting the challenge of supply and resource management are discussed.

Arian Anderson↗
NASA NTRS1997

Predictive Modeling in Plasma Reactor and Process Design

Research continues toward the improvement and increased understanding of high-density plasma tools. Such reactor systems are lauded for their independent control of ion flux and energy enabling high etch rates with low ion damage and for their improved ion velocity anisotropy resulting from thin collisionless sheaths and low neutral pressures. Still, with the transition to 300 mm processing, achieving etch uniformity and high etch rates concurrently may be a formidable task for such large diameter wafers for which computational modeling can play an important role in successful reactor and process design. The inductively coupled plasma (ICP) reactor is the focus of the present investigation. The present work attempts to understand the fundamental physical phenomena of such systems through computational modeling. Simulations will be presented using both computational fluid dynamics (CFD) techniques and the direct simulation Monte Carlo (DSMC) method for argon and chlorine discharges. ICP reactors generally operate at pressures on the order of 1 to 10 mTorr. At such low pressures, rarefaction can be significant to the degree that the constitutive relations used in typical CFD techniques become invalid and a particle simulation must be employed. This work will assess the extent to which CFD can be applied and evaluate the degree to which accuracy is lost in prediction of the phenomenon of interest; i.e., etch rate. If the CFD approach is found reasonably accurate and bench-marked with DSMC and experimental results, it has the potential to serve as a design tool due to the rapid time relative to DSMC. The continuum CFD simulation solves the governing equations for plasma flow using a finite difference technique with an implicit Gauss-Seidel Line Relaxation method for time marching toward a converged solution. The equation set consists of mass conservation for each species, separate energy equations for the electrons and heavy species, and momentum equations for the gas. The sheath is modeled by imposing the Bohm velocity to the ions near the walls. The DSMC method simulates each constituent of the gas as a separate species which would be analogous in CFD to employing separate species mass, momentum, and energy equations. All particles including electrons are moved and allowed to collide with one another with the stipulation that the electrons remain tied to the ions consistent with the concept of ambipolar diffusion. The velocities of the electrons are allowed to be modified during collisions and are not confined to a Maxwellian distribution. These benefits come at a price in terms of computational time and memory. The DSMC and CFD are made as consistent as possible by using similar chemistry and power deposition models. Although the comparison of CFD and DSMC is interesting, the main goal of this work is the increased understanding of high-density plasma flowfields that can then direct improvements in both techniques. This work is unique in the level of the physical models employed in both the DSMC and CFD for high-density plasma reactor applications. For example, the electrons are simulated in the present DSMC work which has not been done before for low temperature plasma processing problems. In the CFD approach, for the first time, the charged particle transport (discharge physics) has been self-consistently coupled to the gas flow and heat transfer.

Hash, D. B.↗
DOE OSTI2022

CLARIFYING THE NEXUS BETWEEN LIFE CYCLE ASSESSMENT AND CIRCULARITY INDICATORS: A SETAC/ACLCA INTEREST GROUP

Purpose Improving the circularity of resources is important to the sustainability of consumer goods. Current research has indicated that circularity practices and circular economy (CE) methods do not always reduce environmental impacts. The aim of this research is to investigate the adoption of the life cycle assessment (LCA) methodology to improve the environmental impacts of circularity practices. Methods As part of the Society for Environmental Toxicology And Chemistry (SETAC) forum, an interest group (IG) on Circularity and LCA was formed in partnership with the American Center for Life Cycle Assessment (ACLCA) to tackle methodological and technical issues related to circularity in LCA. The IG’s research approach is summarized in four key steps: defining goals and objectives, literature review and gap analysis, ideation, and experimentation. The twelve active persons within this IG meet monthly and have been divided into four sub-working groups (sub-WGs) so that complementary tasks can be completed concurrently in an effective manner. Each sub-WG meets monthly and reports back to the main group for collaboration and brainstorming to meet the research objectives. Results and discussion First, the sub-WG #1, focusing on the “pool of circularity and LCA-based indicators”, analyzed the complementarity between two of the most used circularity indicators and LCA. Second, the sub-WG #2, working on the “evaluation of CE loops performance through LCA”, built a mind map of pain points that reflect the challenges that the LCA practitioners face when combining LCA with CE approaches. Third, the sub-WG #3, dealing with the “trade-offs between circularity and sustainability”, highlighted key alignments and/or conflicts between circularity and sustainability performance depending on the scope, product, industry, or system of analysis. Fourth, the sub-WG #4, focusing on “business and industrial cases”, plans to leverage the knowledge base developed within this IG to develop use cases documenting the benefits and challenges associated with CE-related loops modeling in LCA. Conclusions The first findings of this SETAC/ACLCA IG provide a state-of-the-art overview of the synergists of LCA methodology and the CE measurement frameworks reported in the literature. To move forward and capitalize on the first findings, one valuable point will be to discuss and provide concrete solutions to the pain points that emerged when considering circularity in LCA. Eventually, the knowledge base and resources created within this IG ultimately aim to support the proper application of LCA for practitioners in CE contexts, and could provide relevant inputs for the ISO Technical Committee ISO/TC 323 working on the upcoming standard for the measurement of CE performance.

Life cycle assessment, circular economy, circulari↗
DOE OSTI2026

ORCHA: A performance portability system for extreme heterogeneity

Heterogeneity is the prevalent trend in the rapidly evolving high-performance computing (HPC) landscape in both hardware and application software. The diversity in hardware platforms, currently comprising various accelerators and a future possibility of specializable chiplets, poses a significant challenge for scientific software developers aiming to harness optimal performance across different computing platforms while maintaining the quality of solutions when their applications are simultaneously growing more complex. Code synthesis and code generation can provide mechanisms to mitigate this challenge. We have developed a divide and conquer approach where different aspects of performance are handled by different stand-alone tools that are interfaced with the application through generated code. This portability system, ORCHA, enables users to configure and orchestrate their computations among available resources on a platform by specifying a high-level recipe, thereby permitting a many-to-many paradigm where each recipe results in a different variant of the application. The core design goal is to let users decide the application’s hardware mapping and orchestration by editing only the high-level recipe—without modifying the maintained source code or binding the application to a particular runtime system. Tools in ORCHA distribution are: CG-Kit for translating the recipe into an execution graph; Milhoja to execute the graph by orchestrating data and task movement among hardware resources; and Macroprocessor that enables users to define their own code-shorthand for higher composability and easier management of code variants. Additionally, the design of ORCHA permits tools to work in a plug-and-play mode where the application can build and run without CG-Kit and Milhoja, and either tool can be swapped out for other tools with similar capabilities by modifying the code generation portion of ORCHA. In this paper, we describe the design of ORCHA and the role that code-generation plays in isolating applications from tools. We demonstrate the breadth of configurations ORCHA enables with a case study in which an application configuration is realized on three distinct hardware mappings—a GPU-centric, a CPU/GPU balanced, and a CPU/GPU concurrent layouts by using different recipes.

Lee, Youngjun↗
DOE OSTI2021

Facet-specific oxidation of Mn(II) and heterogeneous growth of manganese (oxyhydr)oxides on hematite nanoparticles

It is recognized that different facets of minerals vary distinctively in their chemical reactivity with aqueous solutions. However, detailed molecular and atomistic understandings of these phenomena are relatively limited. This study investigated the interaction of aqueous Mn2+ and dissolved oxygen on various facets of two morphology-types of iron oxide (hematite) nanocrystals. These interactions result in the oxidation of manganese and the heterogeneous nucleation and growth of Mn(II)/Mn(III), and Mn(III) oxides. The nanoscale morphology and atomic structure of the manganese oxide products were characterized in detail. Our results, for the first time, directly demonstrate the facet-dependent oxidation of Mn 2+ and nucleation of Mn(II/III) oxides, followed by their epitaxial growth on hematite. Scanning electron microscopy (SEM), transmission electron microscopy (TEM), and electron diffraction measurements reveal the growth of MnOx nanowires on {012} facets of both hematite nanoplates (HNP) and hematite nanocubes (HNC), while the basal {001} facets on the HNP particles do not produce precipitates. The average oxidation state of the MnO x on HNP and HNC determined using electron energy-loss spectroscopy (EELS) show that both Mn(II) and Mn(III) are present. The facet-dependent oxidation of Mn 2+ may be attributed to adsorption-induced electron transfer (ET), and hematite {001} facets generally exhibiting weaker ability in the uptake of ions relative to {012} facets, and the bulk ET from {012} to {001} facets through the conduction band of hematite. Nevertheless, the mineral composition and growth mechanisms of MnOx catalyzed by HNP and HNC are similar. High-resolution TEM analysis reveals the presence of both hausmannite and manganite on HNP and HNC. The nanoscale observations and thermodynamic considerations indicate that the growth mechanisms/processes of MnO x include heterogeneous nucleation of hausmannite nanoparticles, crystallization by particle attachment, transformation from hausmannite to manganite, and self-catalyzed MnO x growth. It is possible that all of these processes are concurrent. The crystallographic relationship between the heterogeneously formed manganite with hematite, which has not been reported before, proves that hematite provides reaction sites and functions as an atomic template for the formation of MnO x nanowires. These findings advance our understanding of the redox chemistry and heterogeneous growth of minerals as controlled by the surficial structure of the substrate mineral. This has important geochemical implications as the catalytic growth of less common, highly reactive phases like MnO x are known to be consequential in complex natural and anthropogenic environments.

36 MATERIALS SCIENCE↗
NASA NTRS1994

What we have learned about Mars from SNC meteorites

The SNC meteorites are thought to be igneous martian rocks, based on their young crystallization ages and a close match between the composition of gases implanted in them during shock and the atmosphere of Mars. A related meteorite, ALH84001, may be older and thus may represent ancient martian crust. These petrologically diverse basalts and ultramafic rocks are mostly cumulates, but their parent magmas share geochemical and radiogenic isotopic characteristics that suggest they may have formed by remelting the same mantle source region at different times. Information and inferences about martian geology drawn from these samples include the following: Planetary differentiation occured early at approximately 4.5 GA, probably concurrently with accretion. The martian mantle contains different abundances of moderately volatile and siderophile elements and is more Fe-rich than that of the Earth, which has implications for its mineralogy, density, and origin. The estimated core composition has a S abundance near the threshold value for inner core solidification. The former presence of a core dynamo may be suggested by remanent magnetization in Shergottite-Nakhlite-Chassignite (SNC) meteorites, although these rocks may have been magnetized during shock. The mineralogy of martian surface units, inferred from reflectance spectra, matches that of basaltic shergottites, but SNC lithologies thought to have crystallized in the subsurface are not presently recognized. The rheological properties of martian magmas are more accurately derived form these metorites than from observations of martian flow morphology, although the sampled range of magma compositions islimited. Estimates of planetary water abundance and the amount of outgassed water based on these meteorites are contridictory but overlap estimates based on geological observations and atmospheric measurements. Stable isotope measurements indicate that the martian hydrosphere experienced only limited exchange with the lithosphere, but it is in isotopic equilibrium with the atmosphere and has been since 1.3 Ga. The isotopically heavy atmosphere/hydrosphere composition deduced from these rocks reflects a loss process more severe than current atmospheric evolution models, and the occurence of carbonates in SNC meteorites suggest that they, rather than scapolite or hydrous carbonates, are the major crustal sink for CO2. Weathering products in SNC meteorites support the idea of limited alteration of the lithosphere by small volumes of saline, CO2-bearing water. Atmospheric composition and evolution are further constrained by noble gases in these meteorites, although Xe and Kr isotopes suggest different origins for the atmosphere. Planetary ejection of these rocks has promoted an advance in the understanding of impact physics, which has been accomplished by a model involving spallation during large cratering events. Ejection of all the SNC meteorites (except ALH84001) in one or two events may provide a plausible solution to most constraints imposed by chronology, geochemistry, and cosmic ray exposure, although problems remain with this scenario; ALH84001 may represent older martian crust sampled during a separate impact.

Mcsween, Harry Y., Jr.↗
DOE OSTI2024

Interfacial Pressure Improves Calendar Aging of Lithium Metal Anodes

Lithium metal is a very attractive anode material because its theoretical specific capacity is approximately 10 times higher than conventional graphite anodes. Despite great promise, Li anodes suffer from capacity fade due to instabilities with the electrolyte as well as stranding of active Li. We have previously shown that applied interfacial pressure improves Li anode cycling because the pressure reduces the propensity for Li isolation and enables easier reconnection. Many researchers have also shown that calendar aging can lead to Li capacity loss and this has been attributed to either electrolyte decomposition with concurrent Li corrosion or to the formation of stranded Li. Our prior research focused on calendar aging during cycling suggests the mechanism for calendar aging is largely related to stranding of Li during rest and reconnection of the stranded Li upon further cycling, evidenced by similar average Coulombic efficiencies and Li loss in cells with and without rest. Because our calendar aging studies suggest Li stranding as a major cause of Coulombic efficiency drops and our Li cycling studies suggest this can be mitigated partially through applied interfacial pressure, we hypothesized that applied pressure would improve calendar aging by reducing stranded Li and enabling reconnection. We systematically varied applied pressure (0-1000 kPa) on Li metal anodes during cycling tests with and without intermittent calendar aging periods. Though the Coulombic efficiency decreases during aging periods, the lost capacity is recovered during subsequent cycles, as shown though average Coulombic efficiency and cumulative Li capacity loss analysis. We find that application of pressure partially mitigates calendar aging, in accordance with our hypothesis that calendar aging is caused by Li standing and can be mitigated to some degree with interfacial pressure. This is further supported by our results showing that the average Coulombic efficiency and cumulative Li capacity losses are similar over 50 cycles for cells that were continuously cycled and cells with periodic calendar aging periods. This result indicates that the losses during aging are reversible, which is consistent with Li stranding and reconnection. We show that pressure is one mitigation technique that helps reduce Li calendar aging in this study, but our finding that calendar aging is primarily governed by the stranding and reconnection of dead Li has wider implications. This research suggests that other mitigations which have been shown to prevent dead Li formation or encourage reconnection during cycling would also likely be successful for the purpose of improving calendar aging. The authors were supported by a Laboratory Directed Research and Development (LDRD) program. This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC (NTESS), a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration (DOE/NNSA) under contract DE-NA0003525. This written work is authored by an employee of NTESS. The employee, not NTESS, owns the right, title and interest in and to the written work and is responsible for its contents. This work was authored in part by the National Renewable Energy Laboratory, operated by Alliance for Sustainable Energy, LLC, for the U.S. Department of Energy (DOE) under Contract No. DE-AC36-08GO28308. Any subjective views or opinions that might be expressed in the written work do not necessarily represent the views of the U.S. Government.

applied pressure↗