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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 1,135 records · Page 63

A control oriented comprehensive degradation model for battery energy storage system life prediction

In order to ensure that stationary battery energy storage systems (BESSs) provide reliable energy buffering, both for power quality and economic purposes, the degradation must be considered. Cell degradation involves various side reactions and is highly dependent on its operating conditions. To accurately track cell degradation and predict its impact on battery behavior, a comprehensive physics-based degradation model based on an electrolyte phase-enhanced single particle (SP) model is developed. Key degradation physics, namely solid electrolyte interphase (SEI) layer formation and growth, Li plating on the graphite anode, and Mn dissolution on cathode of nickel-cobalt-manganese oxide (NMC622) are considered. The model is validated against experimental capacity data. The results reveal that the deposition rate of both SEI layer and Li metal increase as the charge voltage increases. At the cathode side, the solvent oxidation rate determines the Mn dissolution rate. As a result, the volume fraction of NMC622 in the cathode continually decreases at a gradually increasing rate.

25 ENERGY STORAGE↗

DNA Reaction–Diffusion Attractor Patterns

Abstract Living systems can form and recover complex chemical patterns with precisely sized features in the ranges of tens or hundreds of microns. We show how designed reaction–diffusion processes can likewise produce precise patterns, termed attractor patterns, that reform their precise shape after being perturbed. We use oligonucleotide reaction networks, photolithography, and microfluidic delivery to form precisely controlled attractor patterns and study the responses of these patterns to different localized perturbations. Linear and “hill”‐shaped patterns formed and stabilized into shapes and at time scales consistent with reaction–diffusion models. When patterns were perturbed in particular locations with UV light, they reliably reformed their steady‐state profiles. Recovery also occurred after repeated perturbations. By designing the far‐from‐equilibrium dynamics of a chemical system, this study shows how it is possible to design spatial patterns of molecules that are sustained and regenerated by continually evolving towards a specific steady state configuration.

Dorsey, Phillip James↗

Biological Electron Transfer and Catalysis Energy Frontier Research Center

The overarching objective of the BETCy EFRC project is to investigate the mechanisms and structural basis controlling electron bifurcation, electron-ion coupling, and redox catalysis in model enzymes. This detailed understanding of how biological systems control and exploit electron flow will be used to develop modular biochemical conversions for the production of hydrocarbon and hydrogen biofuels. This project will conduct an in-depth study of metalloenzyme structure-function relationships that enable retuning of catalytic sites, electron-transfer thermodynamics, and the evolution of tailor-designed chemical reactions involving two model enzymes: hydrogenase and nitrogenase. The center is organized into three major thrust areas: Thrust 1. Energy conservation and electron flow; Thrust 2. ATP-coupled electron transfer; and Thrust 3. Atomic level determinants of enzymatic redox properties and their relationship to catalytic bias. We will develop a collective knowledge in metalloenzymes by applying physical science and computational tools to characterize biochemical reactions catalyzed specifically by multi-subunit enzymes harboring iron-sulfur clusters and flavin cofactors, as models for redox reactions throughout biology. Understanding these mechanisms is central to overcoming the key thermodynamic barriers currently limiting production of reduced products and biofuels. The research plan of the BETCy EFRC has been designed to provide the basis to exploit unique biochemical mechanisms that have yet to be explored substantively in the context of bioenergy but have the potential for game-changing advancement. The successful outcome of this research will be a collection of fundamental principles that serve as a blueprint to enable the tailored re-design of biological systems and enzymes to control matter and energy at the level of electrons and molecules to provide the foundations to create new energy technologies.

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Energy Conversion Alternatives Study (ECAS), Westinghouse phase 1. Volume 2: Materials considerations

Extensive studies are presented which were carried out on materials behavior in nine advanced energy conversion systems employing coal and coal-derived fuels. The areas of materials behavior receiving particular attention in this regard are: (1) fireside corrosion and erosion in boiler and heat exchanger materials, (2) oxidation and hot corrosion of gas turbine materials, (3) liquid metal corrosion and mass transport, (4) high temperature steam corrosion, (5) compatability of materials with coal slag and MHD seed, (6) reaction of materials with impure helium, (7) allowable stresses for boiler and heat exchanger materials, (8) environmental effects on mechanical properties, and (9) liquid metal purity control and instrumentation. Such information was then utilized in recommending materials for use in the critical components of the power systems, and at the same time to identify materials problem areas and to evaluate qualitatively the difficulty of solving those problems. Specific materials recommendations for critical components of the nine advanced systems under study are contained in summary tables.

Thomas, D. E.↗

A link-segment model of upright human posture for analysis of head-trunk coordination

Sensory-motor control of upright human posture may be organized in a top-down fashion such that certain head-trunk coordination strategies are employed to optimize visual and/or vestibular sensory inputs. Previous quantitative models of the biomechanics of human posture control have examined the simple case of ankle sway strategy, in which an inverted pendulum model is used, and the somewhat more complicated case of hip sway strategy, in which multisegment, articulated models are used. While these models can be used to quantify the gross dynamics of posture control, they are not sufficiently detailed to analyze head-trunk coordination strategies that may be crucial to understanding its underlying mechanisms. In this paper, we present a biomechanical model of upright human posture that extends an existing four mass, sagittal plane, link-segment model to a five mass model including an independent head link. The new model was developed to analyze segmental body movements during dynamic posturography experiments in order to study head-trunk coordination strategies and their influence on sensory inputs to balance control. It was designed specifically to analyze data collected on the EquiTest (NeuroCom International, Clackamas, OR) computerized dynamic posturography system, where the task of maintaining postural equilibrium may be challenged under conditions in which the visual surround, support surface, or both are in motion. The performance of the model was tested by comparing its estimated ground reaction forces to those measured directly by support surface force transducers. We conclude that this model will be a valuable analytical tool in the search for mechanisms of balance control.

NASA Discipline Neuroscience↗

How the Arrangement of Platinum Atoms on Ruthenium Nanoparticles Improves Hydrogen Evolution Activity

The platinum‐ruthenium (PtRu) system is highly active for hydrogen evolution reaction (HER) in alkaline media with both Pt and Ru playing active roles in the water dissociation step that generates adsorbed hydrogen atoms. Precise control of the arrangement of Pt atoms on Ru nanoparticles can maximize the Pt‐Ru sites for water dissociation and Pt‐Pt sites for hydrogen production and can considerably improve HER catalytic performance. By directing the growth and distribution of Pt on Ru hourglass nanoparticles, the arrangement of Pt on Ru is controlled into forming Pt islands, small Pt clusters, and strings of a few Pt atoms. Calculations show that the unique atomic string arrangements of Pt on Ru is the thermodynamically favorable configuration. Additionally, these strings have a favorable combination of Pt‐Ru and Pt‐Pt sites, making the Pt‐string on Ru the most active catalyst with a more than fivefold increase in turnover frequency for alkaline HER compared to the Pt‐island on Ru catalyst. The results show how controlling the Pt atomic arrangement on Ru nanoparticle surfaces for the tuning of Pt‐Pt and Pt‐Ru neighboring sites can direct toward a more efficient HER mechanism and thereby significantly enhancing HER performance.

36 MATERIALS SCIENCE↗

Deciphering a Reaction Network for the Switchable Production of Tetrahydroquinoline or Quinoline with MOF-Supported Pd Tandem Catalysts

A mechanistic study of heterogeneous tandem catalytic systems is crucial for understanding and improving catalyst activity and selectivity but remains challenging. Here, we demonstrate that a thorough mechanistic study of a multistep reaction can guide us to the controllable selective synthesis of phenyltetrahydroquinoline or phenylquinoline with easily accessible precursors. The one-pot production can be achieved, catalyzed by a well-defined, bifunctional metal–organic framework-supported Pd nanoparticles, with only water as the side product. Our mechanistic study identifies six transient intermediates and ten transformation steps from the operando magic angle spinning nuclear magnetic resonance study under 27.6 bar H 2 . In particular, reactive intermediate 2-phenyl-3,4-dihydroquinoline cannot be observed with conventional chromatographic techniques but is found to reach the maximal concentration of 0.11 mol L –1 under the operando condition. The most probable reaction network is further deduced based on the kinetic information of reaction species, obtained from both operando and ex situ reaction studies. This deep understanding of the complex reaction network enables the kinetic control of the conversions of key intermediate, 2-phenyl-3,4-dihydroquinoline, with the addition of a homogeneous co-catalyst, allowing the selective production of tetrahydroquinoline or quinoline on demand. Finally, the demonstrated methods in this work open up new avenues toward efficient modulation of reactions with a complex network to achieve desired selectivities.

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Steering CO 2 hydrogenation toward C–C coupling to hydrocarbons using porous organic polymer/metal interfaces

The conversion of CO 2 into fuels and chemicals is an attractive option for mitigating CO 2 emissions. Controlling the selectivity of this process is beneficial to produce desirable liquid fuels, but C–C coupling is a limiting step in the reaction that requires high pressures. Here, we propose a strategy to favor C–C coupling on a supported Ru/TiO 2 catalyst by encapsulating it within the polymer layers of an imine-based porous organic polymer that controls its selectivity. Such polymer confinement modifies the CO 2 hydrogenation behavior of the Ru surface, significantly enhancing the C 2+ production turnover frequency by 10-fold. We demonstrate that the polymer layers affect the adsorption of reactants and intermediates while being stable under the demanding reaction conditions. Our findings highlight the promising opportunity of using polymer/metal interfaces for the rational engineering of active sites and as a general tool for controlling selective transformations in supported catalyst systems.

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Influence of mobility restriction on habituation of the vestibular apparatus

Test results presented indicate that 30-day hypokinesia did not affect the intensity of nystagmus: velocity of slow phase, total number of jerks, and duration of the reaction in animals were the same as before mobility restriction and did not differ from those of the control group. However, hypokinesia resulted in the disappearance of habituation of the vestibulary system to repeated angular accelerations. The known hypokinetic changes in the endocrine system were studied. It was concluded that reduction in adrenergic function may be the cause of disappearance of vestibular apparatus habituation during hypokinesia.

Gorgiladze, G. I.↗

Nonlinear adaptive attitude control of spacecraft

A model reference adaptive control law is presented for large angle rotational maneuvers of spacecraft using reaction jets. It is assumed that the various parameters of the spacecraft are completely unknown, and unknown but bounded disturbance torques are acting on the spacecraft. The controller includes a dynamic system in the feedback path. Simulation results are presented to show that fast, large angle rotational maneuvers can be performed using the adaptive controller in spite of uncertainty in the system.

Singh, Sahjendra N.↗

Evaluation of telerobotic systems using an instrumented task board

An instrumented task board was developed at NASA Marshall Space Flight Center (MSFC). An overview of the task board design, and current development status is presented. The task board was originally developed to evaluate operator performance using the Protoflight Manipulator Arm (PFMA) at MSFC. The task board evaluates tasks for Orbital Replacement Unit (ORU), fluid connect and transfers, electrical connect/disconnect, bolt running, and other basic tasks. The instrumented task board measures the 3-D forces and torques placed on the board, determines the robot arm's 3-D position relative to the task board using IR optics, and provides the information in real-time. The PFMA joint input signals can also be measured from a breakout box to evaluate the sensitivity or response of the arm operation to control commands. The data processing system provides the capability for post processing of time-history graphics and plots of the PFMA positions, the operator's actions, and the PFMA servo reactions in addition to real-time force/torque data presentation. The instrumented task board's most promising use is developing benchmarks for NASA centers for comparison and evaluation of telerobotic performance.

Carroll, John D.↗

Interchangeable end effector tools utilized on the PFMA

An instrumented task board, used for measuring forces applied by the Protoflight Manipulator Arm (PFMA) to the task board, was fabricated and delivered to Marshall Space Flight Center. SRS Technologies phased out the existing IBM compatible data acquisition system, used with a instrumented task board, and integrated the force measuring electronic hardware in with the Macintosh II data acquisition system. The purpose of this change was to acquire all data with the same time tag, allowing easier and more accurate data reduction in addition to real-time graphics. A three-dimensional optical position sensing system for determining the location of the PFMA's end effect or in reference to the center of the instrumented task board was also designed and delivered under. An improved task board was fabricated which included an improved instrumented beam design. The modified design of the task board improved the force/torque measurement system by increasing the sensitivity, reliability, load range and ease of maintenance. A calibration panel for the optical position system was also designed and fabricated. The calibration method developed for the position sensors enhanced the performance of the sensors as well as simplified the installation and calibration procedures required. The modifications made under this effort expanded the capabilities of the task board system. The system developed determines the arm's position relative to the task board and measures the signals to the joints resulting from the operator's control signals in addition to the task board forces. The software and hardware required to calculate and record the position of the PFMA during the performance of tasks with the instrumented task board were defined, designed and delivered to MSFC. PFMA joint input signals can be measured from a breakout box to evaluate the sensitivity or response of the arm operation to control commands. The data processing system provides the capability for post processing of time-history graphics and plots of the PFMA positions, the operator's actions, and the PFMA servo reactions in addition to realtime force and position sensor data presentation.

Cody, Joe↗

Requirements Formulation and Dynamic Jitter Analysis for Fourier-Kelvin Stellar Interferometer

The Fourier-Kelvin Stellar Interferometer (FKSI) has been proposed to detect and characterize extra solar giant planets. The baseline configuration for FKSI is a two- aperture, structurally connected nulling interferometer, capable of providing null depth less than lo4 in the infrared. The objective of this paper is to summarize the process for setting the top level requirements and the jitter analysis performed on FKSI to date. The first part of the paper discusses the derivation of dynamic stability requirements, necessary for meeting the FKSI nulling demands. An integrated model including structures, optics, and control systems has been developed to support dynamic jitter analysis and requirements verification. The second part of the paper describes how the integrated model is used to investigate the effects of reaction wheel disturbances on pointing and optical path difference stabilities.

Liu, Kuo-Chia↗

Optical Control of Reactions between Water and Laser-Cooled Be + Ions

In this work, we investigate reactions between laser-cooled Be + ions and room-temperature water molecules using an integrated ion trap and high-resolution time-of-flight mass spectrometer. This system allows simultaneous measurement of individual reaction rates that are resolved by reaction product. The rate coefficient of the Be + ( 2 S 1/2 ) + H 2 O → BeOH + + H reaction is measured for the first time and is found to be approximately two times smaller than predicted by an ion–dipole capture model. Zero-point-corrected quasi-classical trajectory calculations on a highly accurate potential energy surface for the ground electronic state reveal that the reaction is capture-dominated, but a submerged barrier in the product channel lowers the reactivity. Furthermore, laser excitation of the ions from the 2 S 1/2 ground state to the 2 P 3/2 state opens new reaction channels, and we report the rate and branching ratio of the Be + ( 2 P 3/2 ) + H 2 O → BeOH + + H and H 2 O + + Be reactions. Lastly, the excited-state reactions are nonadiabatic in nature.

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Liquid Methane/Liquid Oxygen Propellant Conditioning Feed System (PCFS) Test Rigs

As part of their Propulsion and Cryogenic Advanced Development (PCAD) program, NASA has embarked upon an effort to develop chemical rocket engines which utilize non-toxic, cryogenic propellants such as liquid oxygen (LO2) and liquid methane (LCH4). This effort includes the development and testing of a 100 lbf Reaction Control Engine (RCE) that will be used to evaluate the performance of a LO2/LCH4 rocket engine over a broad range of propellant temperatures and pressures. This testing will take place at NASA-Glenn Research Center's (GRC) Research Combustion Laboratory (RCL) test facility in Cleveland, OH, and is currently scheduled to begin in late 2008. While the initial tests will be performed at sea level, follow-on testing will be performed at NASA-GRC's Altitude Combustion Stand (ACS) for altitude testing. In support of these tests, Sierra Lobo, Inc. (SLI) has designed, developed, and fabricated two separate portable propellant feed systems under the Propellant Conditioning and Feed System (PCFS) task: one system for LCH4, and one for LO2. These systems will be capable of supplying propellants over a large range of conditions from highly densified to several hundred pounds per square inch (psi) saturated. This paper presents the details of the PCFS design and explores the full capability of these propellant feed systems.

Skaff, A.↗

Long-term ultrasonic monitoring of concrete affected by alkali-silica reaction

This article presents continuous monitoring results of alkali-silica reaction (ASR) development in concrete specimens for over 400 days using ultrasonic testing and expansion measurements. Eight concrete specimens with nonreactive aggregate (Control), reactive coarse aggregate, and reactive fine aggregates were cast with two reinforced confinement conditions. The specimens were conditioned in an environmental chamber with high temperature and humidity (38°C and 90% relative humidity) to accelerate the ASR development. A multichannel ultrasonic monitoring system was developed to collect ultrasonic signals automatically, and the expansions in three directions were measured periodically. Results showed that the relative velocity change could detect the ASR initiation in all reactive specimens and show a correlation with expansion in the early stage. However, these correlations are inconsistent for different ASR specimens, and the velocity change becomes less sensitive to ASR damage in the late stage (after 300 days). Irrecoverable velocity drop was observed during every chamber shutdown period, especially in specimens with higher levels of ASR damage. This phenomenon suggests that the nonlinear ultrasonic response caused by the ambient temperature variation may indicate the ASR damage.

Engineering↗

Efficient Control of Atom Arrangement in Ternary Metal Chalcogenide Nanoparticles Using Precursor Oxidation State

Controlling both the concentration and the distribution of elements in a given material is often crucial to extracting and optimizing synergistic properties of the various constituents. An interesting class of such multielement materials is metal chalcogenide nanoparticles, which exhibit a wide range of composition-dependent optoelectronic properties including both bandgap-mediated processes and localized surface plasmon resonance properties, each of which is useful in applications ranging from energy conversion to sensing. Because metal chalcogenide nanoparticles can support several different metal elements in a variety of chalcogen lattices, this material class has particularly benefited from the ability to control both atom concentration and atom arrangement to tailor final particle properties. The primary method to access complex, multimetallic chalcogenide particles is via a postsynthetic cation exchange strategy. One-pot syntheses have been less explored to access these complex particles, although this route is desirable for economy and scalability. In this work, we compare the composition and morphology outcomes from cation exchange and one-pot preparation approaches using a Cu/Ag/Se system, which is already known to exhibit both binary and ternary metal chalcogenide phases. We show that at similar concentrations of the two metal cations, initial reaction conditions for the one-pot method yield multicomponent nanoparticles, whereas cation exchange yields homogeneous ternary metal chalcogenide structures. We then show that by tuning the precursor oxidation state for the one-pot method, this approach can be used to access homogeneous ternary metal chalcogenide particles that are similar in atom arrangement to the particles obtained using cation exchange. Taken together, our results demonstrate reliable synthetic methods that yield a variety of controlled compositions and composition morphologies in the Cu/Ag/Se system. Importantly, we demonstrate that this entire collection of architectures can all be accessed via a one-pot method simply by modifying metal precursor chemistry. The mechanistic insights gained and the resulting streamlined syntheses outlined indicate pathways to easily scaled, highly tailorable syntheses for rapid translation into downstream technologies.

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