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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Where to look? Automating attending behaviors of virtual human characters

This research proposes a computational framework for generating visual attending behavior in an embodied simulated human agent. Such behaviors directly control eye and head motions, and guide other actions such as locomotion and reach. The implementation of these concepts, referred to as the AVA, draws on empirical and qualitative observations known from psychology, human factors and computer vision. Deliberate behaviors, the analogs of scanpaths in visual psychology, compete with involuntary attention capture and lapses into idling or free viewing. Insights provided by implementing this framework are: a defined set of parameters that impact the observable effects of attention, a defined vocabulary of looking behaviors for certain motor and cognitive activity, a defined hierarchy of three levels of eye behavior (endogenous, exogenous and idling) and a proposed method of how these types interact.

NASA Discipline Space Human Factors↗
NASA NTRS1990

Close binding of identity and location in visual feature perception

The binding of identity and location information in disjunctive feature search was studied. Ss searched a heterogeneous display for a color or a form target, and reported both target identity and location. To avoid better than chance guessing of target identity (by choosing the target less likely to have been seen), the difficulty of the two targets was equalized adaptively; a mathematical model was used to quantify residual effects. A spatial layout was used that minimized postperceptual errors in reporting location. Results showed strong binding of identity and location perception. After correction for guessing, no perception of identity without location was found. A weak trend was found for accurate perception of target location without identity. We propose that activated features generate attention-calling "interrupt" signals, specifying only location; attention then retrieves the properties at that location.

Orientation↗
NASA NTRS2006

Reduction of User Interaction by Autonomy

This paper describes experiments that quantify the improvement that autonomous behaviors enable in the amount of user interaction required to navigate a robot in urban environments. Many papers have discussed various ways to measure the absolute level of autonomy of a system; we measured the relative improvement of autonomous behaviors over teleoperation across multiple traverses of the same course. We performed four runs each on an 'easy' course and a 'hard' course, where half the runs were teleoperated and half used more autonomous behaviors. Statistics show 40-70% reductions in the amount of time the user interacts with the control station; however, with the behaviors tested, user attention remained on the control station even when he was not interacting. Reducing the need for attention will require better obstacle detection and avoidance and better absolute position estimation.

attention↗
DOE OSTI2020

TiO2 Nanocrystal-Framed Li 2 TiSiO 5 Platelets for Low-Voltage Lithium Battery Anode

Titanium-based anode materials are attracting considerable attention for use in high-performance lithium-ion batteries, but the compromised energy density caused by high voltage plateaus and unsatisfactory capacities severely retards their practical applications. Herein, a molten-salt synthesis of Li 2 TiSiO 5 crystalline platelets and a subsequent selective facet modification by in situ growth of TiO 2 nanocrystal frames are facilely achieved. The discharge voltage plateau at around 0.5 V renders the Li 2 TiSiO 5 anode safe compared with graphite and confers a high energy density compared with zero-strain Li 4 Ti 5 O 12 anode. With the optimized size, structure, and content of modified TiO2 nanocrystals associated with the exposed (001) plane of Li 2 TiSiO 5 , the Li 2 TiSiO 5 -based anodes can deliver a capacity of above 300 mAh g -1 , enhanced rate performance, and a capacity retention of 66% after 10 000 cycles. In situ X-ray diffraction and ex situ transmission electron microscopy have demonstrated the structural stability of the anodes upon charge/discharge. Further theoretical calculation reveals 3D migration paths of Li + ions in Li 2 TiSiO 5 . The selective modification of in situ grown TiO2 nanocrystals on certain facets of crystallites opens a new door for the development of electrode materials possessing superior electrochemical properties.

anodes↗
DOE OSTI2020

A Progress Report on Metal–Sulfur Batteries

Nonaqueous conversion-reaction sulfur chemistry has been attracting increasing attention over the past decade for the development of next-generation lithium-based batteries. Li–S batteries are currently approaching a nexus stage from lab-scale experiments to possible pragmatic applications. Inspired by the success of Li–S chemistry, other metal–sulfur batteries with a variety of metallic anodes, such as sodium, potassium, magnesium, calcium, and aluminum, have also started to attract attention. In comparison to lithium, Na, Mg, Al, K, and Ca are naturally more abundant and affordable. The Na-S, Mg-S, Al-S, K-S, and Ca-S battery systems provide a great potential for improving the volumetric energy density of sulfur-based batteries. The multivalent metal-sulfur systems, Mg-S, Al-S, and Ca-S, offer better safety features as well. However, the research and development on Na-S, Mg-S, Al-S, K-S, and Ca-S batteries is far behind the Li–S system due to many critical challenges. In this progress report, the fundamental principles of various metal–sulfur chemistries are first presented and compared. Then, the historical progress, recent advances, and key challenges of the Li–S, Na-S, Mg-S, Al-S, K-S, and Ca-S systems are summarized and discussed. Finally, future efforts and directions for both the fundamental and practical research are prospected.

25 ENERGY STORAGE↗
DOE OSTI2023

Incombustible Polymer Electrolyte Boosting Safety of Solid–State Lithium Batteries: A Review

Lithium-ion batteries with their portability, high energy density, and reusability are frequently used in today's world. Under extreme conditions, lithium-ion batteries leak, burn, and even explode. Therefore, improving the safety of lithium-ion batteries has become a focus of attention. Researchers believe using a solid electrolyte instead of a liquid one can solve the lithium battery safety issue. Due to the low price, good processability and high safety of the solid polymer electrolytes, increasing attention have been paid to them. However, polymer electrolytes can also decompose and burn under extreme conditions. Moreover, lithium dendrites are formed continuously due to the uneven charge distribution on the surface of the lithium metal anode. A short circuit caused by a lithium dendrite can cause the battery to thermal runaway. As a result, the safety of polymer solid-state batteries remains a challenge. In this review, the thermal runaway mechanism of the batteries is summarized, and the batteries abuse test standard is introduced. In addition, the recent works on the high-safety polymer electrolytes and the solution strategies of lithium anode problems in polymer batteries are reviewed. Finally, the development direction of safe polymer solid lithium batteries is prospected.

25 ENERGY STORAGE↗
DOE OSTI2024

Controlling Ion Uptake in Carboxylated Mixed Conductors

Organic mixed ionic‐electronic conductors (OMIECs) have garnered significant attention due to their capacity to transport both ions and electrons, making them ideal for applications in energy storage, neuromorphics, and bioelectronics. However, charge compensation mechanisms during the polymer redox process remain poorly understood, and are often oversimplified as single‐ion injection with little attention to counterion effects. To advance understanding and design strategies toward next‐generation OMIEC systems, a series of p‐channel carboxylated mixed conductors is investigated. Varying side‐chain functionality, distinctive swelling character is uncovered during electrochemical doping/dedoping with model chao‐/kosmotropic electrolytes. Carboxylic acid functionalized polymers demonstrate strong deswelling and mass reduction during doping, indicating cation expulsion, while ethoxycarbonyl counterparts exhibit prominent mass increase, pointing to an anion‐driven doping mechanism. By employing operando grazing incidence X‐ray fluorescence (GIXRF), it is revealed that the carboxyl functionalized polymer engages in robust cation interaction, whereas ester functionalization shifts the mechanism towards no cation involvement. It is demonstrated that cations are pivotal in mitigating swelling by counterbalancing anions, enabling efficient anion uptake without compromising performance. These findings underscore the transformative influence of functionality‐driven factors and side‐chain chemistry in governing ion dynamics and conduction, providing new frameworks for designing OMIECs with enhanced performance and reduced swelling.

carboxylated polythiophenes↗
DOE OSTI2023

Thermal Stability and Outgassing Behaviors of High‐nickel Cathodes in Lithium‐ion Batteries

Abstract LiNiO 2 ‐based high‐nickel layered oxide cathodes are regarded as promising cathode materials for high‐energy‐density automotive lithium batteries. Most of the attention thus far has been paid towards addressing their surface and structural instability issues brought by the increase of Ni content (>90 %) with an aim to enhance the cycle stability. However, the poor safety performance remains an intractable problem for their commercialization in the market, yet it has not received appropriate attention. In this review, we focus on the gas generation and thermal degradation behaviors of high‐Ni cathodes, which are critical factors in determining their overall safety performance. A comprehensive overview of the mechanisms of outgassing and thermal runaway reactions is presented and analyzed from a chemistry perspective. Finally, we discuss the challenges and the insights into developing robust, safe high‐Ni cathodes.

Cui, Zehao↗
DOE OSTI2023

Thermal Stability and Outgassing Behaviors of High–nickel Cathodes in Lithium–ion Batteries

LiNiO 2 -based high-nickel layered oxide cathodes are regarded as promising cathode materials for high-energy-density automotive lithium batteries. Most of the attention thus far has been paid towards addressing their surface and structural instability issues brought by the increase of Ni content (>90 %) with an aim to enhance the cycle stability. However, the poor safety performance remains an intractable problem for their commercialization in the market, yet it has not received appropriate attention. In this review, we focus on the gas generation and thermal degradation behaviors of high-Ni cathodes, which are critical factors in determining their overall safety performance. Furthermore, a comprehensive overview of the mechanisms of outgassing and thermal runaway reactions is presented and analyzed from a chemistry perspective. Finally, we discuss the challenges and the insights into developing robust, safe high-Ni cathodes.

25 ENERGY STORAGE↗
DOE OSTI2023

Biopolymer‐assisted Synthesis of P‐doped TiO 2 Nanoparticles for High‐performance Lithium‐ion Batteries: A Comprehensive Study

Abstract TiO 2 material has gained significant attention for large‐scale energy storage due to its abundant, low‐cost, and environmentally friendly properties, as well as the availability of various nanostructures. Phosphorus doping has been established as an effective technique for improving electronic conductivity and managing the slow ionic diffusion kinetics of TiO 2 . In this study, non‐doped and phosphorus doped TiO 2 materials were synthesized using sodium alginate biopolymer as chelating agent. The prepared materials were evaluated as anode materials for lithium‐ion batteries (LIBs). The electrodes exhibit remarkable electrochemical performance, including a high reversible capacity of 235 mAh g −1 at 0.1 C and excellent first coulombic efficiency of 99 %. An integrated approach, combining operando XRD and ex‐situ XAS, comprehensively investigates the relationship between phosphorus doping, material structure, and electrochemical performance, reinforced by analytical tools and first principles calculations. Furthermore, a full cell was designed using 2 %P‐doped TiO 2 anode and LiFePO 4 cathode. The output voltage was about 1.6 V with high initial specific capacity of 148 mAh g −1 , high rate‐capability of 120 mAh g −1 at 1 C, and high‐capacity retention of 96 % after 1000 cycles at 1 C.

El Halya, Nabil↗
DOE OSTI2024

Toward Rational Design of Nickel Catalysts for Thermocatalytic Decomposition of Methane for Carbon Dioxide-Free Hydrogen and Value-Added Carbon Co-Product: A Review

Thermocatalytic decomposition of methane provides opportunities for hydrogen (H2) production with no emission of carbon dioxide. However, high-value carbon products need to be produced for economic deployment of thermocatalytic decomposition and to achieve a minimum H 2 selling price below the U.S, Department of Energy target of $ 1/kg H 2 . In this review, we re-evaluate data on catalyst development reported in the literature and propose correlations between catalyst characteristics, catalytic stability, and properties of carbon co-products. In the first part of the review, growth mechanisms for carbon nanotubes using state-of-the-art chemical vapor deposition are reviewed to catalog the effects of catalyst characteristics, the influence of carbon sources, interactions between metal particles and supports, and metal particle sizes on carbon growth. In the second part, representative developments in mono-, bi-, and tri-metallic nickel catalysts are highlighted. We present kinetic analysis of reactions catalyzed by mono-metallic nickel catalysts, which generates a correlation between metal particle size and catalyst stability. Rational design of Ni-based catalysts for TCD of methane requires attention to the size of the metal particle and effective normalization of the reaction rates. Further attention to the distribution of the metal particle sizes may help identify catalyst properties that contribute longevity and selectivity to processes that use them. While it is tempting to focus on the highest valued carbon products (e.g., CNTs and CFs), analysis of the markets for other carbon products suggests that a more flexible approach may generate comparable returns without the risk associated with specialization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

A localized ensemble of approximate Gaussian processes for fast sequential emulation

More attention has been given to the computational cost associated with the fitting of an emulator. Substantially less attention is given to the computational cost of using that emulator for prediction. This is primarily because the cost of fitting an emulator is usually far greater than that of obtaining a single prediction, and predictions can often be obtained in parallel. In many settings, especially those requiring Markov Chain Monte Carlo, predictions may arrive sequentially and parallelization is not possible. In this case, using an emulator procedure which can produce accurate predictions efficiently can lead to substantial time savings in practice. In this paper, we propose a global model approximate Gaussian process framework via extension of a popular local approximate Gaussian process (laGP) framework. Our proposed emulator can be viewed as a treed Gaussian process where the leaf nodes are laGP models, and the tree structure is learned greedily as a function of the prediction stream. The suggested method (called leapGP) has interpretable tuning parameters which control the time‐memory trade‐off. One reasonable choice of settings leads to an emulator with a training cost and makes predictions rapidly with an asymptotic amortized cost of .

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Visualisation and outlier detection for probability density function ensembles

Abstract Exploratory data analysis (EDA) for functional data—data objects where observations are entire functions—is a difficult problem that has seen significant attention in recent literature. This surge in interest is motivated by the ubiquitous nature of functional data, which are prevalent in applications across fields such as meteorology, biology, medicine and engineering. Empirical probability density functions (PDFs) can be viewed as constrained functional data objects that must integrate to one and be nonnegative. They show up in contexts such as yearly income distributions, zooplankton size structure in oceanography and in connectivity patterns in the brain, among others. While PDF data are certainly common in modern research, little attention has been given to EDA specifically for PDFs. In this paper, we extend several methods for EDA on functional data for PDFs and compare them on simulated data that exhibit different types of variation, designed to mimic that seen in real‐world applications. We then use our new methods to perform EDA on the breakthrough curves observed in gas transport simulations for underground fracture networks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

McCormick envelopes in mixed-integer PDE-constrained optimization

McCormick envelopes are a standard tool for deriving convex relaxations of optimization problems that involve polynomial terms. Such McCormick relaxations provide lower bounds, for example, in branch-and-bound procedures for mixed-integer nonlinear programs but have not gained much attention in PDE-constrained optimization so far. This lack of attention may be due to the distributed nature of such problems, which on the one hand leads to infinitely many linear constraints (generally state constraints that may be difficult to handle) in addition to the state equation for a pointwise formulation of the McCormick envelopes and renders bound-tightening procedures that successively improve the resulting convex relaxations computationally intractable. We analyze McCormick envelopes for a model problem class that is governed by a semilinear PDE involving a bilinearity and integrality constraints. We approximate the nonlinearity and in turn the McCormick envelopes by averaging the involved terms over the cells of a partition of the computational domain on which the PDE is defined. This yields convex relaxations that underestimate the original problem up to an a priori error estimate that depends on the mesh size of the discretization. These approximate McCormick relaxations can be improved by means of an optimization-based bound-tightening procedure. We show that their minimizers converge to minimizers to a limit problem with a pointwise formulation of the McCormick envelopes when driving the mesh size to zero. We provide a computational example, for which we certify all of our imposed assumptions. The results point to both the potential of the methodology and the gaps in the research that need to be closed. Our methodology provides a framework first for obtaining pointwise underestimators for nonconvexities and second for approximating them with finitely many linear inequalities in an infinite-dimensional setting.

Approximations and Expansions↗
DOE OSTI2023

Root phenotypes for improved nitrogen capture

Abstract Background Suboptimal nitrogen availability is a primary constraint for crop production in low-input agroecosystems, while nitrogen fertilization is a primary contributor to the energy, economic, and environmental costs of crop production in high-input agroecosystems. In this article we consider avenues to develop crops with improved nitrogen capture and reduced requirement for nitrogen fertilizer. Scope Intraspecific variation for an array of root phenotypes has been associated with improved nitrogen capture in cereal crops, including architectural phenotypes that colocalize root foraging with nitrogen availability in the soil; anatomical phenotypes that reduce the metabolic costs of soil exploration, improve penetration of hard soil, and exploit the rhizosphere; subcellular phenotypes that reduce the nitrogen requirement of plant tissue; molecular phenotypes exhibiting optimized nitrate uptake kinetics; and rhizosphere phenotypes that optimize associations with the rhizosphere microbiome. For each of these topics we provide examples of root phenotypes which merit attention as potential selection targets for crop improvement. Several cross-cutting issues are addressed including the importance of soil hydrology and impedance, phenotypic plasticity, integrated phenotypes, in silico modeling, and breeding strategies using high throughput phenotyping for co-optimization of multiple phenes. Conclusions Substantial phenotypic variation exists in crop germplasm for an array of root phenotypes that improve nitrogen capture. Although this topic merits greater research attention than it currently receives, we have adequate understanding and tools to develop crops with improved nitrogen capture. Root phenotypes are underutilized yet attractive breeding targets for the development of the nitrogen efficient crops urgently needed in global agriculture.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Processing Compressed Expanded Natural Graphite for Phase Change Material Composites

Phase change materials (PCMs) are used in various thermal energy storage applications but are limited by their low thermal conductivity. One method to increase conductivity involves impregnating organic PCMs into highly porous conductive matrix materials. Of these materials, compressed expanded natural graphite (CENG) matrices have received the most attention. Despite this attention, the effect that CENG processing has on PCM saturation and overall matrix thermal conductivity has not been fully investigated. Therefore, the effect of the heat treatment process used to expand intercalated graphite flakes is evaluated here. Higher heat treatment temperatures yielded higher saturation rates and overall saturation at similar matrix porosities. For example, increasing temperature from 300 °C to 700 °C resulted in approximately 60%-70% increase in pore saturation after 100 minutes of soaking. The exposure time to heat treatment had less of an effect on PCM saturation. The exposure time had negligible effect above 30 min and above 500 °C heating temperatures. However, because the expanded graphite was found to oxidize around 700 °C, the use of longer exposure time in manufacturing applications can be beneficial if a shortened impregnation time is needed. Heat treatment conditions did not impact thermal conductivity. The composite latent heat of fusion was also reduced approximately proportionally to the PCM mass fraction. A local maximum in axial thermal conductivity was observed at around 83% porosity, which is similar to previous studies. The observed conductivity at this maximum was a factor of 81 times greater than the conductivity of the PCM.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The exceedingly strong two-dimensional ferromagnetism in bi-atomic layer SrRuO 3 with a critical conduction transition

In recent years, few-layer or even monolayer ferromagnetic materials have drawn a great deal of attention due to the promising integration of two-dimensional (2D) magnets into next-generation spintronic devices. The SrRuO 3 monolayer is a rare example of stable 2D magnetism under ambient conditions, but only weak ferromagnetism or antiferromagnetism has been found. The bi-atomic layer SrRuO3 as another environmentally inert 2D magnetic system has been paid less attention heretofore. Here we study both the bi-atomic layer and monolayer SrRuO 3 in (SrRuO 3 ) n /(SrTiO 3 ) m (n = 1, 2) superlattices in which the SrTiO 3 serves as a non-magnetic and insulating space layer. Although the monolayer exhibits arguably weak ferromagnetism, we find that the bi-atomic layer exhibits exceedingly strong ferromagnetism with a T c of 125 K and a saturation magnetization of 1.2 μ B /Ru, demonstrated by both superconducting quantum interference device (SQUID) magnetometry and element-specific X-ray circular dichroism. Moreover, in the bi-atomic layer SrRuO 3 , we demonstrate that random fluctuations and orbital reconstructions inevitably occurring in the 2D limit are critical to the electrical transport, but are much less critical to the ferromagnetism. Our study demonstrates that the bi-atomic layer SrRuO 3 is an exceedingly strong 2D ferromagnetic oxide which has great potentials for applications of ultracompact spintronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Review: Recent advances of ToF-SIMS for environmental analysis and imaging

Background: Time-of-flight secondary ion mass spectrometry (ToF-SIMS) is a powerful surface analysis technique, initially developed and applied in inorganic materials and semiconductors. In past decades, ToF-SIMS has attracted more attention in its analysis capabilities of organic materials, with increased applications in biology, medical, and health development. It has also become a versatile and effective tool in environmental analysis due to its high mass resolution, mass accuracy, and depth profiling. Results: In this review, we first give an overview of the principle of ToF-SIMS and follow with recent ToF-SIMS applications in exemplary environmental study cases, including atmospheric aerosol, soil, water, plant, and organic solvent analysis. Moreover, sample preparation techniques are summarized in relation to corresponding environmental applications. Specifically, we call attention to ToF-SIMS investigations showcasing studies in surface chemical compositions, images, and depth profile analysis. These findings emphasize the important role of interfacial chemistry in environmental processes and provide valuable insights into dynamic processes, such as chemical transformation, particle formation, plant biology, and microbial inspired biotechnology development. The mass spectral imaging results acquired by ToF-SIMS offer a deeper understanding of intermediate stages and transient phases for environmental specimens. Significance: In situ and operando imaging offer new possibilities in studying phenomena in real time with high spatial resolution. Furthermore, it is anticipated that more research groups will use ToF-SIMS in environmental research given recent advances in measurement capabilities and surging needs in chemical mapping of complex analytes and systems.

Aerosol↗