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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.

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At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Manipulation and statistical analysis of the fluid flow of polymer semiconductor solutions during meniscus-guided coating

Recent work in structure–processing relationships of polymer semiconductors have demonstrated the versatility and control of thin-film microstructure offered by meniscusguided coating (MGC) techniques. Here, we analyze the qualitative and quantitative aspects of solution shearing, a model MGC method, using coating blades augmented with arrays of pillars. The pillars induce local regions of high strain rates—both shear and extensional—not otherwise possible with unmodified blades, and we use fluid mechanical simulations to model and study a variety of pillar spacings and densities. We then perform a statistical analysis of 130 simulation variables to find correlations with three dependent variables of interest: thin-film degree of crystallinity and transistor field-effect mobilities for charge-transport parallel (Μ para ) and perpendicular (Μ perp ) to the coating direction. Our study suggests that simple fluid mechanical models can reproduce substantive correlations between the induced fluid flow and important performance metrics, providing a methodology for optimizing blade design.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Dependable classical-quantum computing systems engineering

Increasing evidence suggests quantum computing (QC) complements traditional High-Performance Computing (HPC) by leveraging its unique capabilities, leading to the emergence of a new, hybrid paradigm, QHPC. However, this integration introduces new challenges, with dependability–defined by reproducibility, resiliency, and security and privacy–emerging as a central concern for building trustworthy systems that provide an advantage to the users. This paper proposes a framework for dependable QHPC system design, organized around these three pillars. We identify integration challenges, anticipate roadblocks, and highlight productive synergies across QC, HPC, cloud platforms, and network security. Drawing from both classical computing principles and quantum-specific insights, we present a roadmap for co-design that supports robust hybrid architectures. Our approach offers concrete metrics for assessing dependability, provides design guidance for engineers working at the QC-HPC interface, and surfaces new engineering questions around complexity, scale, and fault tolerance. Ultimately, designing for dependability is key to realizing practical, scalable QHPC systems and accelerating the broader quantum ecosystem capable of translating quantum promises into actual application delivery.

HPC↗
DOE OSTI2022

Initial soil organic carbon stocks govern changes in soil carbon: Reality or artifact?

Abstract Changes in soil organic carbon (SOC) storage have the potential to affect global climate; hence identifying environments with a high capacity to gain or lose SOC is of broad interest. Many cross‐site studies have found that SOC‐poor soils tend to gain or retain carbon more readily than SOC‐rich soils. While this pattern may partly reflect reality, here we argue that it can also be created by a pair of statistical artifacts. First, soils that appear SOC‐poor purely due to random variation will tend to yield more moderate SOC estimates upon resampling and hence will appear to accrue or retain more SOC than SOC‐rich soils. This phenomenon is an example of regression to the mean. Second, normalized metrics of SOC change—such as relative rates and response ratios—will by definition show larger changes in SOC at lower initial SOC levels, even when the absolute change in SOC does not depend on initial SOC. These two artifacts create an exaggerated impression that initial SOC stocks are a major control on SOC dynamics. To address this problem, we recommend applying statistical corrections to eliminate the effect of regression to the mean, and avoiding normalized metrics when testing relationships between SOC change and initial SOC. Careful consideration of these issues in future cross‐site studies will support clearer scientific inference that can better inform environmental management.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Two decades of fumigation data from the Soybean Free Air Concentration Enrichment facility

Abstract The Soybean Free Air Concentration Enrichment (SoyFACE) facility is the longest running open-air carbon dioxide and ozone enrichment facility in the world. For over two decades, soybean, maize, and other crops have been exposed to the elevated carbon dioxide and ozone concentrations anticipated for late this century. The facility, located in East Central Illinois, USA, exposes crops to different atmospheric concentrations in replicated octagonal ~280 m 2 Free Air Concentration Enrichment (FACE) treatment plots. Each FACE plot is paired with an untreated control (ambient) plot. The experiment provides important ground truth data for predicting future crop productivity. Fumigation data from SoyFACE were collected every four seconds throughout each growing season for over two decades. Here, we organize, quality control, and collate 20 years of data to facilitate trend analysis and crop modeling efforts. This paper provides the rationale for and a description of the SoyFACE experiments, along with a summary of the fumigation data and collation process, weather and ambient data collection procedures, and explanations of air pollution metrics and calculations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Biorefinery upgrading of herbaceous biomass to renewable hydrocarbon fuels, Part 2: Air pollutant emissions and permitting implications

The development of advanced biofuel production facilities is still at a nascent stage, and the biorefineries could face challenges in obtaining air permits required for their construction and operation because they are novel emission sources. To fill gaps in knowledge regarding potential emissions, we perform a detailed federal regulatory analysis and estimate air pollutant emissions for an advanced biorefinery that produces renewable diesel blendstock (RDB) from lignocellulosic biomass via aerobic respiration documented in Part 1 of the paper. We evaluate 12 design permutations that include two feedstocks, a uniform format blend (UFB) and corn stover; three biorefinery scales, 2,000, 5,200, and 9,100 dry metric tons per day (dmtd) of lignocellulosic biomass feed; and two lignin uses, as either a boiler fuel or for pellet production. We also evaluate 6 additional design permutations by incorporating non-emitting renewable power, which could reduce up to 63% carbon monoxide (CO) and nitrogen oxides (NO x ) each, 21% volatile organic compounds (VOC), and 43% hazardous air pollutants (HAP) as opposed to on-site power production, for biorefineries that produce pellets, using either UFB or corn stover. Our results indicate that all 18 design permutations would be classified as a major source under the Clean Air Act's New Source Review program without additional emission controls. Compared to using lignin as a boiler fuel, diverting lignin for pellet production reduces the emissions of CO up to 88%, NOx up to 73%, sulfur dioxide (SO 2 ) up to 99%, VOCs up to 72%, and HAPs up to 66%. Additionally, we explore control options that could further reduce emissions and assess whether reductions are enough to achieve minor source classification. Insights from our analysis can help biorefinery developers and regulators develop permitting strategies to mitigate investment risks.

09 BIOMASS FUELS↗
NASA NTRS2022

Model Evaluation of Short-Lived Climate Forcers for the Arctic Monitoring and Assessment Programme: A Multi-Species, Multi-Model Study

While carbon dioxide is the main cause for global warming, modeling short-lived climate forcers (SLCFs) such as methane, ozone, and particles in the Arctic allows us to simulate near-term climate and health impacts for a sensitive, pristine region that is warming at 3 times the global rate. Atmospheric modeling is critical for understanding the long-range transport of pollutants to the Arctic, as well as the abundance and distribution of SLCFs throughout the Arctic atmosphere. Modeling is also used as a tool to determine SLCF impacts on climate and health in the present and in future emissions scenarios. In this study, we evaluate 18 state-of-the-art atmospheric and Earth system models by assessing their representation of Arctic and Northern Hemisphere atmospheric SLCF distributions, considering a wide range of different chemical species (methane, tropospheric ozone and its precursors, black carbon, sulfate, organic aerosol, and particulate matter) and multiple observational datasets. Model simulations over 4 years (2008-2009 and 2014-2015) conducted for the 2022 Arctic Monitoring and Assessment Programme (AMAP) SLCF assessment report are thoroughly evaluated against satellite, ground, ship, and aircraft-based observations. The annual means, seasonal cycles, and 3-D distributions of SLCFs were evaluated using several metrics, such as absolute and percent model biases and correlation coefficients. The results show a large range in model performance, with no one particular model or model type performing well for all regions and all SLCF species. The multi-model mean (mmm) was able to represent the general features of SLCFs in the Arctic and had the best overall performance. For the SLCFs with the greatest radiative impact (CH4, 03, BC, and SO(sup 2-)(sub 4)), the mmm was within ±25 % of the measurements across the Northern Hemisphere. Therefore, we recommend a multi-model ensemble be used for simulating climate and health impacts of SLCFs. Of the SLCFs in our study, model biases were smallest for C"4 and greatest for OA. For most SLCFs, model biases skewed from positive to negative with increasing latitude. Our analysis suggests that vertical mixing, long-range transport, deposition, and wildfires remain highly uncertain processes. These processes need better representation within atmospheric models to improve their simulation of SLCFs in the Arctic environment. As model development proceeds in these areas, we highly recommend that the vertical and 3-D distribution of SLCFs be evaluated, as that information is critical to improving the uncertain processes in models.

Arctic Monitoring and Assessment Programme↗
DOE OSTI2020

Molecular Structure of Sphingomyelin in Fluid Phase Bilayers Determined by the Joint Analysis of Small-Angle Neutron and X-ray Scattering Data

In this work, we have determined the fluid bilayer structure of palmitoyl sphingomyelin (PSM) and stearoyl sphingomyelin (SSM) by simultaneously analyzing small-angle neutron and X-ray scattering data. Using a newly developed scattering density profile (SDP) model for sphingomyelin lipids, we report structural parameters including the area per lipid, total bilayer thickness, and hydrocarbon thickness, in addition to lipid volumes determined by densitometry. Unconstrained all-atom simulations of PSM bilayers at 55 °C using the C36 CHARMM force field produced a lipid area of 56 Å 2 , a value that is 10% lower than the one determined experimentally by SDP analysis (61.9 Å2). Furthermore, scattering form factors calculated from the unconstrained simulations were in poor agreement with experimental form factors, even though segmental order parameter (S CD ) profiles calculated from the simulations were in relatively good agreement with S CD profiles obtained from NMR experiments. Conversely, constrained area simulations at 61.9 Å 2 resulted in good agreement between the simulation and experimental scattering form factors, but not with S CD profiles from NMR. We discuss possible reasons for the discrepancies between these two types of data that are frequently used as validation metrics for molecular dynamics force fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Equilibrium Separation of Siloxanes in Metal–Organic Frameworks

We present an in silico assessment of metal–organic frameworks (MOFs) for the equilibrium separation of linear and cyclic siloxanes. Using a combination of configurational bias/continuous fractional component Monte Carlo (CB/CFCMC) simulations and Ideal Adsorbed Solution Theory (IAST), we investigated the adsorption of both equimolar and nonequimolar mixtures of linear and cyclic siloxanes in a selection of synthesizable MOFs with medium to large pore volumes. We showed that configurational entropy effects drive the preferential adsorption of linear siloxanes over cyclic siloxanes. Based on synthesizability metrics we identified ZIF-70 as a promising adsorbent for the separation of linear and cyclic siloxanes. Self-diffusivities of linear and cyclic siloxanes in ZIF-70 calculated from molecular dynamics simulations show that equilibrium can be reached on reasonable time scales. We explored vacuum-temperature swing adsorption (VTSA) as a potential method for the recovery of adsorbed linear siloxanes from ZIF-70, achieving a 75% reduction in adsorbed phase concentration. Additionally, we demonstrated that supercritical CO 2 offers an alternative desorption strategy by displacing adsorbed linear siloxanes in ZIF-70 at pressures above 200 bar driven by entropy effects.

Adsorption↗
NASA NTRS1992

Automated support for experience-based software management

To effectively manage a software development project, the software manager must have access to key information concerning a project's status. This information includes not only data relating to the project of interest, but also, the experience of past development efforts within the environment. This paper describes the concepts and functionality of a software management tool designed to provide this information. This tool, called the Software Management Environment (SME), enables the software manager to compare an ongoing development effort with previous efforts and with models of the 'typical' project within the environment, to predict future project status, to analyze a project's strengths and weaknesses, and to assess the project's quality. In order to provide these functions the tool utilizes a vast corporate memory that includes a data base of software metrics, a set of models and relationships that describe the software development environment, and a set of rules that capture other knowledge and experience of software managers within the environment. Integrating these major concepts into one software management tool, the SME is a model of the type of management tool needed for all software development organizations.

Valett, Jon D.↗
NASA NTRS1992

A new neural net approach to robot 3D perception and visuo-motor coordination

A novel neural network approach to robot hand-eye coordination is presented. The approach provides a true sense of visual error servoing, redundant arm configuration control for collision avoidance, and invariant visuo-motor learning under gazing control. A 3-D perception network is introduced to represent the robot internal 3-D metric space in which visual error servoing and arm configuration control are performed. The arm kinematic network performs the bidirectional association between 3-D space arm configurations and joint angles, and enforces the legitimate arm configurations. The arm kinematic net is structured by a radial-based competitive and cooperative network with hierarchical self-organizing learning. The main goal of the present work is to demonstrate that the neural net representation of the robot 3-D perception net serves as an important intermediate functional block connecting robot eyes and arms.

Lee, Sukhan↗
DOE OSTI2023

Revealing the Internal Architecture of Alkaline Fuel Cell Membranes with Cryo-4D-STEM and Cryo-STEM-EELS

Characterization of the internal architecture of polymer materials plays an important role in the development of energy devices such as fuel cells. The beam sensitivity of polymer materials coupled with their inherent low contrast makes imaging using conventional TEM and STEM techniques a challenge. Here, we demonstrate robust mapping of the internal architecture of fuel cell polymer membranes using cryo-4D-STEM and cryo-STEM-EELS. Here, we will focus on characterization of alkaline anion exchange membranes (AAEMs) used in AAEM fuel cells, a cheaper alternative to current fuel cell technologies as they allow for platinum group metal-free catalysts. In fuel cell polymer membranes, the internal architecture is critical in performance metrics such as conductivity, mechanical durability, and chemical stability.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Resilience Framework for Electric Energy Delivery Systems (R.1)

The intent of this document is to provide a Resilience Framework for electrical energy delivery systems which can be applied to Distributed Wind. However, the framework is not limited by application to any resource or system. This framework represents the defined steps to a cyclical process similar in mechanism to both cybersecurity and risk frameworks, while providing a common set of language and process for all stakeholders involved. The need for this Resilience Framework was established in a previous document, “Distributed Wind Resilience Metrics for Electric Energy Delivery Systems.” One important characteristic we see in resilience is the unique needs and perspectives of different systems, geographies, resources, stakeholders, perceived risks, and consequences, which we term the distinctiveness property. This distinctiveness property drives the requirement to have a resilience framework or methodology that can be implemented by different types of organizations and systems. The process or methodology should be cyclic. Recognizing that a system’s resilience is based on finite resources and time, it must continually evolve through this framework’s risk management and capital investment steps at an appropriate pace for its distinctiveness property.

17 WIND ENERGY↗
NASA NTRS1993

Intelligent Agent Architectures: Reactive Planning Testbed

An Integrated Agent Architecture (IAA) is a framework or paradigm for constructing intelligent agents. Intelligent agents are collections of sensors, computers, and effectors that interact with their environments in real time in goal-directed ways. Because of the complexity involved in designing intelligent agents, it has been found useful to approach the construction of agents with some organizing principle, theory, or paradigm that gives shape to the agent's components and structures their relationships. Given the wide variety of approaches being taken in the field, the question naturally arises: Is there a way to compare and evaluate these approaches? The purpose of the present work is to develop common benchmark tasks and evaluation metrics to which intelligent agents, including complex robotic agents, constructed using various architectural approaches can be subjected.

Rosenschein, Stanley J.↗
DOE OSTI2021

Resilience Metrics and Framework for Distributed Wind Presentation

This presentation communicates information about the MIRACL project Resilience Metrics report and Resilience Framework report. It was created for the 2021 MIRACL advisory board meeting. We propose a three-tiered approach for the resilience framework. At the top level, we consider the time horizons on which resilience will be evaluated and executed. At the middle level, we consider the core functions of resilience, which span across the time horizons. At the lower level, we consider the process steps that correspond to implementing practices for resilience in each of the core functions. The framework considers three time horizons in order to enable organizations to assess and improve their system’s resilience throughout its lifecycle. We call these time horizons the planning, operational, and future stages. The planning stage uses organizational needs and current system evaluation to prepare for potential hazards. The operational stage seeks to execute responses to hazards as prudently and efficiently as possible to maintain system resilience. The future stage seeks to improve on current system resilience and feeds back into the planning stage to promote continuous improvement. While all three time horizons are important when considering a specific topic, the planning and evaluation phase (i.e., what is done in advance of the event) is critical in defining a system’s resilience characteristics and in outlining how a system responds to an event. This framework intentionally emphasizes the planning stage to highlight the overarching emphasis of this effort, not to imply that the other two time-related horizons (i.e., operational and change the future) are less important. The core functions in the framework are identify, prepare, detect, adapt, and recover. These five functions stem from a rigorous analysis of definitions used across the industry, and they represent the core capabilities that an organization must have to enable lifecycle resilience. Within each core function, process steps are described that help walk an organization through the information gathering, evaluation, decision-making, and implementation processes they will need to ensure their resilience goals are maintained throughout the system and the system lifecycle. Also highlighted in the figure is the concept that a resilience framework should be cyclical in nature. Because a system’s resilience is based on finite resources and time, it must continually evolve through this framework’s risk management and capital investment steps at an appropriate level of scope and pace.

17 WIND ENERGY↗
DOE OSTI2021

The number of catalytic cycles in an enzyme’s lifetime and why it matters to metabolic engineering

Metabolic engineering uses enzymes as parts to build biosystems for specified tasks. Although a part’s working life and failure modes are key engineering performance indicators, this is not yet so in metabolic engineering because it is not known how long enzymes remain functional in vivo or whether cumulative deterioration (wear-out), sudden random failure, or other causes drive replacement. Consequently, enzymes cannot be engineered to extend life and cut the high energy costs of replacement. Guided by catalyst engineering, we adopted catalytic cycles until replacement (CCR) as a metric for enzyme functional life span in vivo. CCR is the number of catalytic cycles that an enzyme mediates in vivo before failure or replacement, i.e., metabolic flux rate/protein turnover rate. We used estimated fluxes and measured protein turnover rates to calculate CCRs for ~100–200 enzymes each from Lactococcus lactis, yeast, and Arabidopsis. CCRs in these organisms had similar ranges (<10 3 to >10 7 ) but different median values (3–4 × 10 4 in L. lactis and yeast versus 4 × 10 5 in Arabidopsis). In all organisms, enzymes whose substrates, products, or mechanisms can attack reactive amino acid residues had significantly lower median CCR values than other enzymes. Taken with literature on mechanism-based inactivation, the latter finding supports the proposal that 1) random active-site damage by reaction chemistry is an important cause of enzyme failure, and 2) reactive noncatalytic residues in the active-site region are likely contributors to damage susceptibility. Enzyme engineering to raise CCRs and lower replacement costs may thus be both beneficial and feasible.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Soil Microbiomes Under Climate Change and Implications for Carbon Cycling

Communities of soil microorganisms (soil microbiomes) play a major role in biogeochemical cycles and support of plant growth. Here we focus primarily on the roles that the soil microbiome plays in cycling soil organic carbon and the impact of climate change on the soil carbon cycle. We first discuss current challenges in understanding the roles carried out by highly diverse and heterogeneous soil microbiomes and review existing knowledge gaps in understanding how climate change will impact soil carbon cycling by the soil microbiome. Because soil microbiome stability is a key metric to understand as the climate changes, we discuss different aspects of stability, including resistance, resilience, and functional redundancy. We then review recent research pertaining to the impact of major climate perturbations on the soil microbiome and the functions that they carry out. Finally, we review new experimental methodologies and modeling approaches under development that should facilitate our understanding of the complex nature of the soil microbiome to better predict its future responses to climate change.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1998

Accelerating Ground-Test Cycle Time: The Six-Minute Model Change and Other Visions for the 21st Century

The advantage of managing organizations to minimize product development cycle time has been well established. This paper provides an overview of the wind tunnel testing cycle time reduction activities at Langley Research Center (LaRC) and gives the status of several improvements in the wind tunnel productivity and cost reductions that have resulted from these activities. Processes have been examined and optimized. Metric data from monitoring processes provides guidance for investments in advanced technologies. The most promising technologies under implementation today include the use of formally designed experiments, a diverse array of quick disconnect technology and the judicious use of advanced electronic and information technologies.

Kegelman, Jerome T.↗
NASA NTRS2018

Accommodations for Secondary Payloads in NASA's Space Launch System

NASA's new heavy-lift launch vehicle, the Space Launch System (SLS), is moving closer to its planned 2019 launch, with the in-space stage and spacecraft adapters complete and all other major elements of the rocket manufactured and currently being outfitted for flight. Exploration Mission-1 (EM-1), the first flight of SLS and the new Orion crew vehicle, will verify and validate new systems and provide an unparalleled opportunity for 13 6U CubeSat-class payloads to be released into deep space. Payloads are being developed by NASA, industry, international and academic partners and were selected for the EM-1 flight to address strategic knowledge gaps in the agency's plans for human deep space exploration. Destinations range from the lunar surface to an asteroid to an orbit around the Earth-moon L2 libration point. Missions include studying the effects of space radiation on a living organism (yeast), landing the smallest lander to date on the moon, and searching for water in permanently shaded lunar craters. Propulsion technology demonstrations include solar sails, use of inert water to carry out lunar gravity assist maneuvers, and use of new "green" chemical propellants. SLS employs an evolutionary design approach, with an initial capability of at least 26 metric tons (t) to trans-lunar injection (TLI). The later Block 1B configuration, which will become the Agency's workhorse launch vehicle into the 2020s, will lift at least 34 t to TLI in its crew configuration and at least 37 t in the cargo configuration. In addition to greater lift capability, Block 1B will also offer larger payload volume than Block 1 for both co-manifested and secondary payloads. In Block 1B, various combinations of 6U, 12U and 27U payloads may be accommodated in the vehicle's stage adapter. Opportunities for deep space research once out of reach for small science payloads will be within reach, opening many possibilities for exciting new technology demonstrations and scientific missions. This paper will provide an overview of the capabilities and the status of the Block 1 vehicle, with particular emphasis on the secondary payload accommodations and the deployment system. Brief descriptions of the 13 6U EM-1 payloads will be included. In addition, a discussion of the payload developers' responsibilities and the Space Launch System Program's roles and responsibilities in accommodating these and future payloads will be included. Finally, the author will look ahead to SLS Block 1B and missions beyond EM-1 and the opportunities for 6U, 12U and 27U CubeSats.

Robinson, Kimberly F.↗