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At least 1,189 records · Page 66

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NASA NTRS1998

Collaboration in Complex Medical Systems

Improving our understanding of collaborative work in complex environments has the potential for developing effective supporting technologies, personnel training paradigms, and design principles for multi-crew workplaces. USing a sophisticated audio-video-data acquisition system and a corresponding analysis system, the researchers at University of Maryland have been able to study in detail team performance during real trauma patient resuscitation. The first study reported here was on coordination mechanisms and on characteristics of coordination breakdowns. One of the key findings was that implicit communications were an important coordination mechanism (e.g. through the use of shared workspace and event space). The second study was on the sources of uncertainty during resuscitation. Although incoming trauma patients' status is inherently uncertain, the findings suggest that much of the uncertainty felt by care providers was related to communication and coordination. These two studies demonstrate the value of and need for creating a real-life laboratory for studying team performance with the use of comprehensive and integrated data acquisition and analysis tools.

Xiao, Yan↗

NASA NTRS2002

Research on Intelligent Synthesis Environment

The ultimate goal of this research project is to develop a methodology for the assessment and continuous improvement of engineering team effectiveness in distributed collaborative environments. This review provides the theoretical foundation upon which subsequent empirical work will be based. Our review of the team performance literature has identified the following 12 conceptually distinct team interaction processes as characteristic of effective teams. 1) Mission Analysis; 2) Resource Distribution; 3) Leadership; 4) Timing; 5) Intra-team Feedback; 6) Motivational Functions; 7) Team Orientation; 8) Communication; 9) Coordination; 10) Mutual Performance Monitoring; 11) Back-up Behaviors; and 12) Cooperation. In addition, this review summarizes how team task characteristics (i.e., task type, task complexity, motivation, and temporal changes), team characteristics (i.e., team structure and team knowledge), and individual team member characteristics (i.e., dispositions and teamwork knowledge, skills, and abilities) affect team interaction processes, determine the relevance of these processes, and influence team performance. The costs and benefits of distributed team collaboration are also considered. The review concludes with a brief discussion of the nature of collaborative team engineering tasks.

Loftin, R. Bowen↗

NASA NTRS1993

Evolution in vitro of an RNA enzyme with altered metal dependence

The Tetrahymena group I ribozyme catalyses a sequence-specific phosphodiester cleavage reaction on an external RNA oligonucleotide substrate in the presence of a divalent metal cation cofactor. This reaction proceeds readily with either Mg2+ or Mn2+, but no detectable reaction has been reported when other divalent cations are used as the sole cofactor. Cations such as Ca2+, Sr2+ and Ba2+ can stabilize the correct folded conformation of the ribozyme, thereby partially alleviating the Mg2+ or Mn2+ requirement. But catalysis by the ribozyme involves coordination of either Mg2+ or Mn2+ at the active site, resulting in an overall requirement for one of these two cations. Here we use an in vitro evolution process to obtain variants of the Tetrahymena ribozyme that are capable of cleaving an RNA substrate in reaction mixtures containing Ca2+ as the divalent cation. These findings extend the range of different chemical environments available to RNA enzymes and illustrate the power of in vitro evolution in generating macromolecular catalysts with desired properties.

NASA Discipline Exobiology↗

NASA NTRSDate not supplied

Results of the Field Test and Defining Sensormotor Fitness for Duty Standards

The primary goals of the Field Test were (1) to determine functional abilities associated with long-duration space flight crews beginning as soon after landing as possible (< 2 hours), and (2) to characterize the time course of recovery with additional follow-up measurement sessions within 24 hours after landing. The NASA and Russian teams have collected data on a total of 39 different United States Orbital Segment (USOS) and Russian crewmembers, with 9 Russian crewmembers being tested twice (total of 48 tests). Eighteen subjects (7 Russian, 11 USOS) completed a reduced Field Test (pilot) protocol and 30 subjects (19 Russian and 11 USOS) participated in the full Field Test. This presentation will focus on a subset of the measures that will be used in the upcoming ground study to determine sensorimotor fitness for duty standards, namely: tandem walk, obstacle walk, eye-hand coordination task, finger-to-nose task, and Computerized Dynamic Posturography (CDP). Exploration-class missions including Artemis, Gateway, and beyond will require a new level of autonomy around periods of gravitational transition, where sensorimotor disturbances increase. The operational support that is available upon return to Earth including rescue teams, medical interventions, and the ability to rest as needed will not be available after landing on the lunar or Martian surface. Because of this, there is a need to define fitness for duty standards that will help inform crew capabilities during and soon after gravitational transitions. Due to the new requirements of the exploration environment, we must utilize a set of exploration field measures, for which no previous spaceflight data exists to define fitness for duty standards. A Sensorimotor Adaptation Analog (SAA) that can provide different levels of acute disorientation through combined vestibular, visual, and proprioceptive disruptions will be used to increase the range of performance in exploration field measures, simulating the moderate-to-severe performance decrements observed in spaceflight. The levels of SAA will be titrated and validated by comparison to gold standard measures that have a wealth of spaceflight data at different time points during recovery. These data will be pulled directly from the results of Field Test and help ensure the range of performance while being exposed to SAA mimics the range of performance from pre-flight to immediately postflight in Field Test subjects. Specifically, we will be using the tandem walk, obstacle walk, eye-hand coordination task, finger-to-nose task, and CDP as the gold standard measures. Referencing this Field Test data in the form of gold standard measures will also help us characterize and contextualize how each magnitude of SAA disorientation compares to recovery from long-term microgravity exposure.

M J F Rosenberg↗

NASA NTRS2011

Physical Validation of GPM Retrieval Algorithms Over Land: An Overview of the Mid-Latitude Continental Convective Clouds Experiment (MC3E)

The joint NASA Global Precipitation Measurement (GPM) -- DOE Atmospheric Radiation Measurement (ARM) Midlatitude Continental Convective Clouds Experiment (MC3E) was conducted from April 22-June 6, 2011, centered on the DOE-ARM Southern Great Plains Central Facility site in northern Oklahoma. GPM field campaign objectives focused on the collection of airborne and ground-based measurements of warm-season continental precipitation processes to support refinement of GPM retrieval algorithm physics over land, and to improve the fidelity of coupled cloud resolving and land-surface satellite simulator models. DOE ARM objectives were synergistically focused on relating observations of cloud microphysics and the surrounding environment to feedbacks on convective system dynamics, an effort driven by the need to better represent those interactions in numerical modeling frameworks. More specific topics addressed by MC3E include ice processes and ice characteristics as coupled to precipitation at the surface and radiometer signals measured in space, the correlation properties of rainfall and drop size distributions and impacts on dual-frequency radar retrieval algorithms, the transition of cloud water to rain water (e.g., autoconversion processes) and the vertical distribution of cloud water in precipitating clouds, and vertical draft structure statistics in cumulus convection. The MC3E observational strategy relied on NASA ER-2 high-altitude airborne multi-frequency radar (HIWRAP Ka-Ku band) and radiometer (AMPR, CoSMIR; 10-183 GHz) sampling (a GPM "proxy") over an atmospheric column being simultaneously profiled in situ by the University of North Dakota Citation microphysics aircraft, an array of ground-based multi-frequency scanning polarimetric radars (DOE Ka-W, X and C-band; NASA D3R Ka-Ku and NPOL S-bands) and wind-profilers (S/UHF bands), supported by a dense network of over 20 disdrometers and rain gauges, all nested in the coverage of a six-station mesoscale rawinsonde network. As an exploratory effort to examine land-surface emissivity impacts on retrieval algorithms, and to demonstrate airborne soil moisture retrieval capabilities, the University of Tennessee Space Institute Piper aircraft carrying the MAPIR L-band radiometer was also flown during the latter half of the experiment in coordination with the ER-2. The observational strategy provided a means to sample the atmospheric column in a redundant framework that enables inter-calibration and constraint of measured and retrieved precipitation characteristics such as particle size distributions, or water contents- all within the umbrella of "proxy" satellite measurements (i.e., the ER-2). Complimenting the precipitation sampling framework, frequent and coincident launches of atmospheric soundings (e.g., 4-8/day) then provided a much larger mesoscale view of the thermodynamic and winds environment, a data set useful for initializing cloud models. The datasets collected represent a variety cloud and precipitation types including isolated cumulus clouds, severe thunderstorms, mesoscale convective systems, and widespread regions of light to moderate stratiform precipitation. We will present the MC3E experiment design, an overview of operations, and a summary of preliminary results.

Petersen, Walter A.↗

NASA NTRS1999

A Simple Tool for the Design and Analysis of Multiple-reflector Antennas in a Multi-disciplinary Environment

The process of designing and analyzing a multiple-reflector system has traditionally been time-intensive, requiring large amounts of both computational and human time. At many frequencies, a discrete approximation of the radiation integral may be used to model the system. The code which implements this physical optics (PO) algorithm was developed at the Jet Propulsion Laboratory. It analyzes systems of antennas in pairs, and for each pair, the analysis can be computationally time-consuming. Additionally, the antennas must be described using a local coordinate system for each antenna, which makes it difficult to integrate the design into a multi-disciplinary framework in which there is traditionally one global coordinate system, even before considering deforming the antenna as prescribed by external structural and/or thermal factors. Finally, setting up the code to correctly analyze all the antenna pairs in the system can take a fair amount of time, and introduces possible human error.

Katz, Daniel, S.↗

DOE OSTI2022

Improved Axisymmetric and High Temperature Material Structural Modeling in MOOSE and NEML

This report describes improvements made to the solid mechanics formulation in the MOOSE open source finite element simulation environment and the open source Nuclear Engineering Material model Library (NEML) for mechanical constitutive models. The focus of these improvements is to improve the usability and performance of simulations involving one or both pieces of software. Specifically, this work completes a new system for solid mechanics simulations in the MOOSE ecosystem providing exact linearizations and optimal (quadratic) convergence, for a variety of coordinate systems and material types, including large deformation simulations. This work then provides users a framework to build highly efficient mechanical simulations of structures or materials or to couple in additional MOOSE physics modules to build complex, scalable multiphysics simulations.

36 MATERIALS SCIENCE↗

NASA NTRS1973

Liapunov stability analysis of spinning flexible spacecraft.

The attitude stability of a class of spinning flexible spacecraft in a force-free environment is analyzed. The spacecraft is modeled as a rigid core having attached to it a flexible appendage idealized as a collection of elastically interconnected particles. Liapunov stability theorems are employed with the Hamiltonian of the system, constrained through the angular momentum integral so as to admit complete damping, used as a testing function. The Hamiltonian is written in terms of modal coordinates as interpreted by the hybrid coordinate formulation, thus allowing truncation to a level amenable to literal stability analysis. Testing functions are constructed for a spacecraft with an arbitrary (discretized) appendage, and closed form stability criteria are generated for the first mode of a restricted appendage model lying in a plane which contains the center of mass and is orthogonal to the spin axis. The criteria are (except for idealized cases on the stability boundary line in the parameter space) both necessary and sufficient for stability for any spacecraft characterized by the planar appendage model, such as a spacecraft containing solar panels and/or radial booms.

Barbera, F. J.↗

NASA NTRS1985

High-speed, automatic controller design considerations for integrating array processor, multi-microprocessor, and host computer system architectures

Modern control systems must typically perform real-time identification and control, as well as coordinate a host of other activities related to user interaction, online graphics, and file management. This paper discusses five global design considerations which are useful to integrate array processor, multimicroprocessor, and host computer system architectures into versatile, high-speed controllers. Such controllers are capable of very high control throughput, and can maintain constant interaction with the nonreal-time or user environment. As an application example, the architecture of a high-speed, closed-loop controller used to actively control helicopter vibration is briefly discussed. Although this system has been designed for use as the controller for real-time rotorcraft dynamics and control studies in a wind tunnel environment, the controller architecture can generally be applied to a wide range of automatic control applications.

Jacklin, S. A.↗

NASA NTRS2004

Identifying Organic Molecules in Space: The AstroBiology Explorer (ABE) Mission Concept

The AstroBiology Explorer (ABE) mission concept consists of a dedicated space observatory having a 60 cm class primary mirror cooled to T < 50 K equipped with medium resolution cross-dispersed spectrometers having cooled large format near- and mid-infrared detector arrays. Such a system would be capable of addressing outstanding problems in Astrochemistry and Astrophysics that are particularly relevant to Astrobiology and addressable via astronomical observation. The mission s observational program would make fundamental scientific progress in establishing the nature, distribution, formation and evolution of organic and other molecular materials in the following extra-terrestrial environments: 1) The Outflow of Dying Stars, 2) The Diffuse Interstellar Medium, 3) Dense Molecular Clouds, Star Formation Regions, and Young StellarPlanetary Systems, 4) Planets, Satellites, and Small Bodies within the Solar System, and 5 ) The Interstellar Media of Other Galaxies. ABE could make fundamental progress in all of these areas by conducting a 1 to 2 year mission to obtain a coordinated set of infrared spectroscopic observations over the 2.5-20 micron spectral range at a spectral resolution of R > 2000 of about 1500 objects including galaxies, stars, planetary nebulae, young stellar objects, and solar system objects. Keywords: Astrobiology, infrared, Explorers, interstellar organics, telescope, spectrometer, space, infrared detectors

Ennico, K. A.↗

NASA NTRS2014

Understanding the Effects of Spaceflight on Head-trunk Coordination during Walking and Obstacle Avoidance

Prolonged exposure to spaceflight conditions results in a battery of physiological changes, some of which contribute to sensorimotor and neurovestibular deficits. Upon return to Earth, functional performance changes are tested using the Functional Task Test (FTT), which includes an obstacle course to observe post‐flight balance and postural stability, specifically during turning. The goal of this study was to quantify changes in movement strategies during turning events by observing the latency between head‐and‐trunk coordinated movements. It was hypothesized that subjects experiencing neurovestibular adaptations would exhibit head‐to‐trunk locking ('en bloc' movement) during turning, exhibited by a decrease in latency between head and trunk movement. FTT data samples were collected from ISS missions. Samples were analyzed three times pre‐exposure, immediately postexposure (1 day post) and 2‐to‐3 times during recovery from the microgravity environment. Two 3D inertial measurements units (XSens MTx) were attached to subjects, one on the head and one on the upper back. This study focused primarily on the yaw movements about the subject's center of rotation. Time differences (latency) between head and trunk movement were calculated at two points on the obstacle course: the first turn to enter the obstacle course (approximately 90⁰ turn) and averaged across a slalom obstacle portion, consisting of three turns (approximately three 90⁰ turns). Preliminary analysis of the data shows a trend toward decreasing head‐to‐trunk movement latency during postflight ambulation in slalom turning after reintroduction to Earth gravity in ISS astronauts. It is clear that changes in movement strategies are adopted during exposure to the microgravity environment and upon reintroduction to a gravity environment. Most ISS subjects exhibit symptoms of neurovestibular changes ('en bloc head and trunk movement) which may impact their ability to perform post‐flight functional tasks.

Madansingh, S.↗

NASA NTRS2016

Overview of the Radiation Dosimetry Experiment (RaD-X) Flight Mission

The NASA Radiation Dosimetry Experiment (RaD-X) stratospheric balloon flight mission addresses the need to reduce the uncertainty in predicting human exposure to cosmic radiation in the aircraft environment. Measurements were taken that characterize the dosimetric properties of cosmic ray primaries, the ultimate source of aviation radiation exposure, and the cosmic ray secondary radiations that are produced and transported to aviation altitudes. In addition, radiation detectors were flown to assess their potential application to long-term, continuous monitoring of the aircraft radiation environment. RaD-X was successfully launched from Fort Sumner, New Mexico (34.5 N, 104.2 W), on 25 September 2015. Over 18 h of science data were obtained from a total of four different type dosimeters at altitudes above 20 km. The RaD-X flight mission was supported by laboratory radiation exposure testing of the balloon flight dosimeters and also by coordinated radiation measurements taken on ER-2 and commercial aircraft. This paper provides the science background and motivation for the RaD-X flight mission, a brief description of the balloon flight profile and the supporting aircraft flights, and a summary of the articles included in the RaD-X special collection and their contributions to the science goals of the RaD-X mission.

Mertens, Christopher J.↗

NASA NTRS2021

Cislunar Autonomous Positioning System Technology Operations and Navigation Experiment (CAPSTONE)

NASA has partnered with Advanced Space to develop and build the Cislunar Autonomous Positioning System Technology Operations and Navigation Experiment (CAPSTONE) mission which will serve as a pathfinder for Near Rectilinear Halo Orbit (NHRO) operations around the Moon. The NHRO, (Perilune = 3,200 km; Apolune = 70,000 km) will be the intended orbit for the NASA’s Artemis Gateway lunar orbital platform. The CAPSTONE mission will validate simulations and confirm operational planning for Gateway while also validating performance of navigation and station-keeping requirements for the Power and Propulsion Element. Thus, this mission will provide operational experience to NASA, commercial, and international missions for operations in a demanding orbital regime. The baseline for CAPSTONE is to fly a 12U cubesat developed, integrated, and tested by Tyvak Nanosatellite Systems carrying a payload communications system capable of cross-link ranging with the Lunar Reconnaissance Orbiter (LRO), a dedicated payload flight computer for software demonstration, and a camera. The launch, coordinated by NASA Launch Services Program, will be provided by a Rocket Lab launch vehicle utilizing their new Proton upper stage to deploy the CAPSTONE spacecraft into the lunar orbit. The CAPSTONE mission is targeting a launch no earlier than September 23, 2021. Upon launch, the spacecraft will traverse a highly efficient transfer taking approximately three months to enter a primary demonstration phase in an NRHO for six months followed by a twelve month technology enhancement operations phase. The CAPSTONE Project is lead by Advanced Space, LLC of Boulder Colorado. Spacecraft development and mission operations will be conducted by Tyvak Nanosatellite Systems of Irvine, California. Noted objectives for the CAPSTONE mission will be to demonstrate the accessibility of NHROs, validate key operational concepts in the NHRO environment, lay a foundation for commercial support of future lunar operations and accelerate the availability of peer-to-peer navigation capabilities provided by the Cislunar Autonomous Positioning System (CAPS). The CAPSTONE mission is funded through NASA's Small Spacecraft Technology Program (SSTP), which is one of several programs in NASA’s Space Technology Mission Directorate. SSTP is chartered to develop and demonstrate technologies to enhance and expand the capabilities of small spacecraft with a particular focus on enabling new mission architectures through the use of small spacecraft, expanding the reach of small spacecraft to new destinations, and augmenting future missions with supporting small spacecraft. The launch for the CAPSTONE Mission is provided by Human Exploration & Operations Missions Directorate Advanced Exploration Systems Division. Coordination and Acquisition of the Launch is managed by NASA’s Launch Services Program. The CAPSTONE Mission and project status will be presented.

CAPSTONE↗

NASA NTRS2021

Cislunar Autonomous Positioning System Technology Operations and Navigation Experiment (CAPSTONE) Mission

CAPSTONE↗

NASA NTRSDate not supplied

Cislunar Autonomous Positioning System Technology Operations and Navigation Experiment (CAPSTONE) Pathfinder for Artemis Gateway

The Cislunar Autonomous Positioning System Technology Operations and Navigation Experiment (CAPSTONE) mission was developed by NASA in collaboration with Advanced Space, LLC of Westminster, Colorado. This technology demonstration mission serves as a pathfinder for near rectilinear halo orbit (NHRO) operations around the Moon. The NHRO, (Perilune = 3,200 km; Apolune = 70,000 km) is the intended orbit for NASA’s Artemis Gateway, a small, human-tended space station planned for lunar orbit. The CAPSTONE mission will validate simulations and confirm operational planning for Gateway while also validating performance of navigation and stationkeeping requirements for Gateway’s Power and Propulsion Element. Therefore, this mission will provide operational experience to NASA, commercial, and international missions for operations in a demanding orbital regime. The CAPSTONE mission consists of a 12-unit (U)+ CubeSat developed, integrated, and tested by the Terran Orbital Corporation that carries a payload communications system capable of crosslink ranging with NASA’s Lunar Reconnaissance Orbiter (LRO). CAPSTONE contains a chip-scale atomic clock (CSAC) for a one-way ranging experiment with NASA’s Deep Space Network, a dedicated payload flight computer for software demonstration, and a camera. The launch, coordinated by NASA’s Launch Services Program, was provided by Rocket Lab on its Electron launch vehicle using their Photon upper stage to deploy the CAPSTONE spacecraft. The mission launched June 28, 2022. The CAPSTONE spacecraft deployed from the Photon stage and traversed an approximately 4-month, highly fuel-efficient transfer phase entering the NRHO November 13, 2022, for a six-month primary mission phase. The mission is currently in a twelve-month technology enhancement operations phase. The CAPSTONE technology demonstration mission is led by Advanced Space, LLC. Spacecraft development and mission operations are conducted by Terran Orbital Corporation of Irvine, California. Noted accomplishments for the CAPSTONE mission include demonstrating the accessibility of NHROs; validating key operational concepts in the NHRO environment; laying the foundation for commercial support of future lunar operations; and accelerating the availability of peer-to-peer navigation capabilities provided by the Cislunar Autonomous Positioning System (CAPS). The CAPSTONE mission is funded through NASA’s Small Spacecraft Technology (SST) program, which is one of several programs within NASA’s Space Technology Mission Directorate. The program is chartered to develop and demonstrate technologies to enhance and expand the capabilities of small spacecraft with a particular focus on enabling new mission architectures through the use of small spacecraft, expanding the reach of small spacecraft to new destinations, and augmenting future missions with supporting small spacecraft. The CAPSTONE mission launch was provided by NASA’s Exploration Systems Development Missions Directorate’s Advanced Exploration Systems Division. Coordination and acquisition of the launch was managed by NASA’s Launch Services Program. The CAPSTONE mission and project status will be presented.

Elwood Agasid↗

DOE OSTI2022

Resilience Design Patterns: A Structured Approach to Resilience at Extreme Scale (V.2.0)

Reliability is a serious concern for future extreme-scale high-performance computing (HPC) systems. Projections based on the current generation of HPC systems and technology roadmaps suggest the prevalence of very high fault rates in future systems. The errors resulting from these faults will propagate and generate various kinds of failures, which may result in outcomes ranging from result corruptions to catastrophic application crashes. Therefore, the resilience challenge for extreme-scale HPC systems requires coordination between various hardware and software technologies that are capable of handling a broad set of fault models at accelerated fault rates. Also, due to practical limits on power consumption in future HPC systems, they are likely to embrace innovative architectures, increasing the levels of hardware and software complexities. Therefore, the techniques that seek to improve resilience must navigate the complex trade-off space between resilience and the overheads to power consumption and performance. While the HPC community has developed various resilience solutions, application-level techniques as well as system-based solutions, the solution space of HPC resilience techniques remains fragmented. There are no formal methods to integrate the various HPC resilience techniques into composite solutions, nor are there methods to holistically evaluate the adequacy and efficacy of such solutions in terms of their protection coverage, and their performance & power efficiency characteristics. Additionally, few implementations of current resilience solutions are portable to newer architectures and software environments that will be deployed on future systems. We developed a new structured approach to the management of HPC resilience using the concept of resilience-based design patterns. In general, a design pattern is a repeatable solution to a commonly occurring problem. We identified the well-known solutions that are commonly used to deal with faults, errors and failures in HPC systems. In the initial design patterns specification (version 1.0), we described the various solutions, which address specific problems in the design of resilient HPC environments, in the form of patterns. Each pattern describes a problem caused by a fault, error or failure event in an HPC environment, and then describes the core of the solution of the problem in such a way that this solution may be adapted to different systems and implemented at different layers of the system stack. The catalog of these resilience design patterns provides designers with a collection of design elements. To construct complete resilience solutions using combinations of various patterns, we defined a framework that enhances HPC designers' understanding of the important constraints and the opportunities for the design patterns to be implemented and deployed at various layers of the system stack. The design framework is also useful for establishing interfaces and mechanisms to coordinate flexible fault management across hardware and software components, as well as to consider the trade-off between performance, resilience, and power consumption when constructing a solution. The resilience design patterns specification version 1.1 included more detailed explanations of the pattern solutions, the context in which the patterns are applicable, and the implications for hardware or software design. It also provided several additional examples and detailed case studies to demonstrate the use of patterns to build realistic solutions. In version 1.2 of the specification document, we have improved the pattern descriptions, including graphical representations of the pattern components. These improvements are largely based on critical comments, feedback and suggestions received from pattern experts and readers of the previous versions of the specification. The pattern classification has been modified to further clarify the relationships between pattern categories. This version of the specification also introduces a pattern language for resilience design patterns. The pattern language presents the patterns in the catalog as a network, revealing the relations among the resilience patterns. The language provides designers with the means to explore alternative techniques for handling a specific fault model that may have different efficiency and complexity characteristics. Using the pattern language also enables the design and implementation of comprehensive resilience solutions as a set of interconnected resilience patterns that can be instantiated across layers of the system stack. The overall goal of this work is to provide hardware and software designers, as well as the users and operators of HPC systems, a systematic methodology for the design and evaluation of resilience technologies in HPC systems that keep scientific applications running to a correct solution in a timely and cost-efficient manner despite frequent faults, errors, and failures of various types. Version 2.0 expands the resilience design pattern classification and catalog to include self-stabilization patterns and reliability, availability and performance models for each structural pattern.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Deep Understanding of Strong Metal Interface Confinement: A Journey of Pd/FeO x Catalysts

Tuning the atomic interface configuration of noble metals (NMs) and transition-metal oxides is an effective straightforward yet challenging strategy to modulate the activity and stability of heterogeneous catalysts. Herein, Pd supported on mesoporous Fe 2 O 3 with a high specific surface area was rationally designed and chosen to construct the Pd/iron oxide interface. As a versatile model, the physicochemical environments of Pd nanoparticles (NPs) could be precisely controlled by taming the reduction temperature. The experimental and density functional theory calculation results unveiled that the catalyst in the support–metal interface confinement (SMIC) state showed significantly enhanced catalytic activity and sintering resistance for CO oxidation. The constructed Fe sites at the interfaces between FeO x overlayers and Pd NPs not only provided additional coordinative unsaturated ferrous sites for the adsorption and activation of O 2 , thereby facilitating the activation efficiency of O 2 , but also impressively changed the reaction pathway of CO oxidation. As a result, the catalyst followed the Pd/Fe dual-site mechanism instead of the classical Mars–van Krevelen mechanism. For the catalyst in the strong metal–support interaction (SMSI) state, its catalytic activity was seriously suppressed because of the excessive encapsulation of the active Pd sites by FeO x overlayers. Thus, the present study therefore provides detailed insights into the SMIC and SMSI in ferric oxide-supported Pd catalysts, which could guide the preparation of highly efficient supported catalysts for practical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Revealing CO 2 dissociation pathways at vicinal copper (997) interfaces

Size- and shape-tailored copper (Cu) nanocrystals can offer vicinal planes for facile carbon dioxide (CO 2 ) activation. Despite extensive reactivity benchmarks, a correlation between CO 2 conversion and morphology structure has not yet been established at vicinal Cu interfaces. Herein, ambient pressure scanning tunneling microscopy reveals step-broken Cu nanocluster evolutions on the Cu(997) surface under 1 mbar CO 2 (g). The CO 2 dissociation reaction produces carbon monoxide (CO) adsorbate and atomic oxygen (O) at Cu step-edges, inducing complicated restructuring of the Cu atoms to compensate for increased surface chemical potential energy at ambient pressure. The CO molecules bound at under-coordinated Cu atoms contribute to the reversible Cu clustering with the pressure gap effect, whereas the dissociated oxygen leads to irreversible Cu faceting geometries. Synchrotron-based ambient pressure X-ray photoelectron spectroscopy identifies the chemical binding energy changes in CO-Cu complexes, which proves the characterized real-space evidence for the step-broken Cu nanoclusters under CO(g) environments. Our in situ surface observations provide a more realistic insight into Cu nanocatalyst designs for efficient CO 2 conversion to renewable energy sources during C 1 chemical reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗