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At least 73 records · Page 4

Full‐dimensional coupled‐channel statistical approach to atom‐triatom systems and applications to H/D + O 3 reaction

Abstract The statistical quantum model (SQM), which assumes that the reactivity is controlled by entrance/exit channel quantum capture probabilities, is well suited for chemical reactions with a long‐lived intermediate complex. In this work, a time‐independent coupled‐channel implementation of the SQM approach is developed for atom‐triatom systems in full dimensionality. As SQM treats the capture dynamics quantum mechanically, it is capable of handling quantum effects such as tunneling. A detailed study of the H/D + O 3 capture dynamics was performed by applying the newly developed SQM method on an accurate global potential energy surface. Agreement with previous ring polymer molecular dynamics (RPMD) results on the same potential energy surface is excellent except for very low temperatures. The SQM results are also in reasonably good agreement with available experimental rate coefficients. The strong H/D kinetic isotope effect underscores the dominant role of quantum tunneling under an entrance channel barrier at low temperatures.

Yang, Dongzheng

Hybrid Modeling for Testing Intelligent Software for Lunar-Mars Closed Life Support

Intelligent software is being developed for closed life support systems with biological components, for human exploration of the Moon and Mars. The intelligent software functions include planning/scheduling, reactive discrete control and sequencing, management of continuous control, and fault detection, diagnosis, and management of failures and errors. Four types of modeling information have been essential to system modeling and simulation to develop and test the software and to provide operational model-based what-if analyses: discrete component operational and failure modes; continuous dynamic performance within component modes, modeled qualitatively or quantitatively; configuration of flows and power among components in the system; and operations activities and scenarios. CONFIG, a multi-purpose discrete event simulation tool that integrates all four types of models for use throughout the engineering and operations life cycle, has been used to model components and systems involved in the production and transfer of oxygen and carbon dioxide in a plant-growth chamber and between that chamber and a habitation chamber with physicochemical systems for gas processing.

Malin, Jane T.

Pulsed radiolysis of model aromatic polymers and epoxy based matrix materials

Models of primary processes leading to deactivation of energy deposited by a pulse of high energy electrons were derived for epoxy matrix materials and polyl-vinyl naphthalene. The basic conclusion is that recombination of initially formed charged states is complete within 1 nanosecond, and subsequent degradation chemistry is controlled by the reactivity of these excited states. Excited states in both systems form complexes with ground state molecules. These excimers or exciplexes have their characteristics emissive and absorptive properties and may decay to form separated pairs of ground state molecules, cross over to the triplet manifold or emit fluorescence. ESR studies and chemical analyses subsequent to pulse radiolysis were performed in order to estimate bond cleavage probabilities and net reaction rates. The energy deactivation models which were proposed to interpret these data have led to the development of radiation stabilization criteria for these systems.

Gupta, A.

Predictive onboard flow control for packet switching satellites

We outline two alternate approaches to predicting the onset of congestion in a packet switching satellite, and argue that predictive, rather than reactive, flow control is necessary for the efficient operation of such a system. The first method discussed is based on standard, statistical techniques which are used to periodically calculate a probability of near-term congestion based on arrival rate statistics. If this probability exceeds a present threshold, the satellite would transmit a rate-reduction signal to all active ground stations. The second method discussed would utilize a neural network to periodically predict the occurrence of buffer overflow based on input data which would include, in addition to arrival rates, the distributions of packet lengths, source addresses, and destination addresses.

Bobinsky, Eric A.

Predictive onboard flow control in packet switching satellites

We outline two alternate approaches to predicting the onset of congestion in a packet switching satellite, and argue that predictive, rather than reactive, flow control is necessary for the efficient operation of such a system. The first method discussed is based on standard, statistical techniques which are used to periodically calculate a probability of near-term congestion based on arrival rate statistics. If this probability exceeds a present threshold, the satellite would transmit a rate-reduction signal to all active ground stations. The second method discussed would utilize a neural network to periodically predict the occurrence of buffer overflow based on input data which would include, in addition to arrival rates, the distributions of packet lengths, source addresses, and destination addresses.

Bobinsky, E. A.

An Environmental Impact Assessment of Perfluorocarbon Thermal Working Fluid Use On Board Crewed Spacecraft

The design and operation of crewed spacecraft requires identifying and evaluating chemical compounds that may present reactivity and compatibility risks with the environmental control and life support (ECLS) system. Such risks must be understood so that appropriate design and operational controls, including specifying containment levels, can be instituted or an appropriate substitute material selected. Operational experience acquired during the International Space Station (ISS) program has found that understanding ECLS system and environmental impact presented by thermal control system working fluids is imperative to safely operating any crewed space exploration vehicle. Perfluorocarbon fluids are used as working fluids in thermal control fluid loops on board the ISS. Also, payload hardware developers have identified perfluorocarbon fluids as preferred thermal control working fluids. Interest in using perfluorocarbon fluids as thermal control system working fluids for future crewed space vehicles and outposts is high. Potential hazards associated with perfluorocarbon fluids are discussed with specific attention given to engineering assessment of ECLS system compatibility, compatibility testing results, and spacecraft environmental impact. Considerations for perfluorocarbon fluid use on crewed spacecraft and outposts are summarized.

Perry, Jay L.

Adaptive planning for applications with dynamic objectives

We devise a qualitative control layer to be integrated into a real-time multi-agent reactive planner. The reactive planning system consists of distributed planning agents attending to various perspectives of the task environment. Each perspective corresponds to an objective. The set of objectives considered are sometimes in conflict with each other. Each agent receives information about events as they occur, and a set of actions based on heuristics can be taken by the agents. Within the qualitative control scheme, we use a set of qualitative feature vectors to describe the effects of applying actions. A qualitative transition vector is used to denote the qualitative distance between the current state and the target state. We will then apply on-line learning at the qualitative control level to achieve adaptive planning. Our goal is to design a mechanism to refine the heuristics used by the reactive planner every time an action is taken toward achieving the objectives, using feedback from the results of the actions. When the outcome is compared with expectations, our prior objectives may be modified and a new set of objectives (or a new assessment of the relative importance of the different objectives) can be introduced. Because we are able to obtain better estimates of the time-varying objectives, the reactive strategies can be improved and better prediction can be achieved.

Hadavi, Khosrow

Peer-to-peer communication control for resilient operations of networked cyberphysical systems

This report includes two main accomplishments of the peer-to-peer communication control for resilient operation of networked microgrids project in FY24, which include a scheme for cyberattack-aware coordination of networked microgrids for supporting voltages of bulk power systems and a scheme for price signal-based operations of EV-rich networked microgrids with mixed ownership. First, the cyberattack-aware scheme enables networked microgrids to distributedly determine the amount of reactive power injection to support the voltage of bulk power system (BPS) in a fair manner. In this scheme, a risk-informed algorithm is presented to generate the peer-to- peer (P2P) communication graph with minimal risk of attack on communication links. To deal with cyberattacks on MG controllers, the resilient consensus algorithm (CA) is utilized for MG controllers to robustly estimate the total reactive power headroom, from which the MGs can accurately provide the needed amount of reactive power injection for supporting the voltage of BPS. The CA implementation and performance within the P2P communication framework are demonstrated on the IEEE 39-bus system with 6 microgrids contained in the distribution feeder under different cyberattack scenarios. Second, the price-based scheme enables the usage of the real-time price signal for the operations of electric vehicle (EV)-rich networked-microgrids with mixed ownership, in which not all the microgrids can communicate with the distribution system operator (DSO). In this scheme, a max consensus is introduced to enable the real-time price signal to be propagated from the DSO to all the microgrids, from which each microgrid controller will manage the DERs to balance the load demand and the power injection from the EV charging stations within its microgrid. Numerical results over one day with 288 slots of 5-minute intervals on the modified 123-node test feeder including 3 microgrids with high penetration of EV are presented to evaluate how the price signal affects the operations of networked microgrids under different charging strategies of the EV charging stations. The result indicates that our proposed EVCS (dis)charging strategy, which leverages the flexibility of EVs to support the grid through discharging during peak demand, proves to be a cost-effective solution that reduces operational costs while improving the social welfare of EV charging.

24 POWER TRANSMISSION AND DISTRIBUTION

Planner-Based Control of Advanced Life Support Systems

The paper describes an approach to the integration of qualitative and quantitative modeling techniques for advanced life support (ALS) systems. Developing reliable control strategies that scale up to fully integrated life support systems requires augmenting quantitative models and control algorithms with the abstractions provided by qualitative, symbolic models and their associated high-level control strategies. This will allow for effective management of the combinatorics due to the integration of a large number of ALS subsystems. By focusing control actions at different levels of detail and reactivity we can use faster: simpler responses at the lowest level and predictive but complex responses at the higher levels of abstraction. In particular, methods from model-based planning and scheduling can provide effective resource management over long time periods. We describe reference implementation of an advanced control system using the IDEA control architecture developed at NASA Ames Research Center. IDEA uses planning/scheduling as the sole reasoning method for predictive and reactive closed loop control. We describe preliminary experiments in planner-based control of ALS carried out on an integrated ALS simulation developed at NASA Johnson Space Center.

Muscettola, Nicola

Impasse-driven tutoring for reactive skill acquisition

We are interested in developing effective performance-oriented training for the operation of systems that are used for monitor and control purposes. We have focused on one such system, the communications Link Monitor and Control (LMC) system used in NASA's Deep Space Network (DSN), which is a worldwide system for navigating, tracking and communicating with unmanned interplanetary spacecraft. The tasks in this domain are procedural in nature and require reactive, goal-oriented skills; we have previously described a cognitive model for problem solving that accounts for both novice and expert levels of behavior as well as how skill is acquired. Our cognitive modeling work in this task domain led us to make a number of predictions about tutoring that have influenced the design of the system described in this paper.

Hill, Randall W., Jr.

Impasse-Driven Tutoring for Reactive Skill Acquisition

We are interested in developing effective performance-oriented training for the operation of systems that are used for monitor and control purposes. We have focused on one such system, the communications Link Monitor and Control (LMC) system used in NASA's Deep Space Network (DSN), which is a worldwide system for navigating, tracking and communicating with unmanned interplanetary spacecraft. The tasks in this domain are procedural in nature and require reactive, goal-oriented skills; we have previously described a cognitive model for problem solving that accounts for both novice and expert levels of behavior as well as how skill is acquired [Hill and Johnson, 1993]. Our cognitive modeling work in this task domain led us to make a number of predictions about tutoring that have influenced the design of the system described in this paper.

Johnson, W. Lewis

Cavity Controlled Upconversion in CdSe Nanoplatelet Polaritons

Exciton-polaritons provide a versatile platform for investigating quantum electrodynamics effects in chemical systems, such as polariton-altered chemical reactivity. However, using polaritons in chemical contexts will require a better understanding of their photophysical properties under ambient conditions, where chemistry is typically performed. Here, we used cavity quality factor to control strong light–matter interactions and in particular the excited state dynamics of colloidal CdSe nanoplatelets (NPLs) coupled to a Fabry– Pérot optical cavity. With increasing cavity quality factor, we observe significant population of the upper polariton (UP) state, exemplified by the rare observation of substantial UP photoluminescence (PL). Excitation of the lower polariton (LP) states results in upconverted PL emission from the UP branch due to efficient exchange of population between the LP, UP and the reservoir of dark states present in collectively coupled polaritonic systems. In addition, we measure time scales for polariton dynamics ~100 ps, implying great potential for NPL based polariton systems to affect photochemical reaction rates. State-of-the-art quantum dynamical simulations show outstanding quantitative agreement with experiments, and thus provide important insight into polariton photophysical dynamics of collectively coupled nanocrystal-based systems. These findings represent a significant step toward the development of practical polariton photochemistry platforms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Gas Flow Controller

The Mass Flowmeter is a device used to measure flow of oxygen in spacecraft's life support system. Tylan Corporation's Mass Flow Controller's major application is accurate control of reactive gases-- such as hydrogen, phosphine and silane as they are diffused at extremely high temperatures into silicon wafers. Wafers are ultimately cut up into integrated circuits or "chips" for electronic products. Precise process control afforded by the Mass Flow Controller makes it possible to produce circuit chips of greater performance at lower cost.

Source record

Dynamic Response Testing in an Electrically Heated Reactor Test Facility

Non-nuclear testing can be a valuable tool in development of a space nuclear power or propulsion system. In a non-nuclear test bed, electric heaters are used to simulate the heat from nuclear fuel. Standard testing allows one to fully assess thermal, heat transfer, and stress related attributes of a given system, but fails to demonstrate the dynamic response that would be present in an integrated, fueled reactor system. The integration of thermal hydraulic hardware tests with simulated neutronic response provides a bridge between electrically heated testing and full nuclear testing. By implementing a neutronic response model to simulate the dynamic response that would be expected in a fueled reactor system, one can better understand system integration issues, characterize integrated system response times and response characteristics, and assess potential design improvements at a relatively small fiscal investment. Initial system dynamic response testing was demonstrated on the integrated SAFE-100a heat pipe cooled, electrically heated reactor and heat exchanger hardware, utilizing a one-group solution to the point kinetics equations to simulate the expected neutronic response of the system (Bragg-Sitton, 2005). The current paper applies the same testing methodology to a direct drive gas cooled reactor system, demonstrating the applicability of the testing methodology to any reactor type and demonstrating the variation in system response characteristics in different reactor concepts. In each testing application, core power transients were controlled by a point kinetics model with reactivity feedback based on core average temperature; the neutron generation time and the temperature feedback coefficient are provided as model inputs. Although both system designs utilize a fast spectrum reactor, the method of cooling the reactor differs significantly, leading to a variable system response that can be demonstrated and assessed in a non-nuclear test facility.

Bragg-Sitton, Shannon M.

Mechanisms of active control in cylindrical fuselage structures

This paper summarizes ongoing efforts to understand and exploit active control techniques for low frequency noise suppression in aerospace applications. Analytical models are utilized in an effort to understand the mechanisms that govern noise transmission into acoustic spaces enclosed by lightweight structures and to examine the results of experimental implementations of active control schemes. Emphasis is placed on attaining global noise reductions using a minimum number of actuators rather than localized control over many subregions. This program has demonstrated the effect of synchrophasing and interface modal filtering, in limiting the modal density within the acoustic space, and how strong reactive effects may occur in two dimensional geometries. Finally, the performance of active control systems utilizing acoustic and vibration actuators is evaluated. Suppressions of 10 to 30 dB are demonstrated in practice, and performance is discussed in relation to the physical mechanisms and parameters of the system.

Silcox, R. J.

Autonomous Infrared and Small (Wide) Angle X-Ray Scattering (IR-S(W)AXS) Capability

Thin water films are 2-D, nanoconfined layers that form on solid surfaces exposed to humid atmospheres—environments ubiquitous across catalysis, corrosion science, soil science, and subsurface geochemistry. At relative humidity (RH) values below saturation, these films are Å–nm thick and exhibit properties that differ sharply from bulk water, including disrupted H-bonding and impeded mass transport. Owing to their high surface-to-volume ratio, dissolution of the solid can rapidly drive strong supersaturation with respect to secondary phases. Reactivity in thin water films is highly sensitive to film thickness, and critically, thickness evolves during reaction because the hygroscopicity of the interfacial system changes as ions accumulate or diminish in the film and as reaction products transform. To accurately probe and control these dynamics, a capability is needed that can measure and automatically maintain a constant water-film thickness while simultaneously monitoring solid dissolution, nucleation, and growth. This project developed an autonomous Infrared/Small Angle X-ray Scattering-Wide Angle X-ray Scattering (IR/(W)SAXS) for investigating reactivity in thin water films on solid surfaces exposed to humidified gases. The capability consists of an IR spectrometer, a (W)SAXS instrument, and a mass flow controller system for generating variably humidified gas flows to a custom reaction cell. Progress on each of the major components of the capability are detailed below.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND

Experimental Demonstration and System Analysis for Plasmonic Force Propulsion

This project developed a higher-fidelity model of a recently envisioned small spacecraft propulsion system for precision pointing and proximity control. Plasmonic force propulsion harnesses solar light focused onto plasmon reactive subwavelength nanostructures to accelerate and expel nanoparticle propellant via strong optical forces. The goal of the project was to show that plasmonic space propulsion can provide the level of proximity and attitude control envisioned for future NASA nano/picosatellite missions, a level that is better than state-of-the-art approaches. We achieved this goal by showing that plasmonic force thrusters are feasible for a range of advanced mission concepts requiring swarm formations in a deep space environment. We performed three case studies that evaluated the performance of the plasmonic force propulsion thruster in a deep space, microsatellite swarm formation. These case studies assumed the propulsion system could generate thrust at the level predicted from our Phase 1 study (1.6 μN). Through these cases we were able to analyze the concept within a mission specific context through detailed orbital dynamics calculations. Results indicate that, with the Phase 1 estimated thrust level, the approach is promising for providing attitude control to swarm formation spacecraft. Further, we achieved goals related to technology development. Specifically, we experimentally demonstrated nanoparticle acceleration due to plasmonic forces with asymmetric nanostructures excited by focused laser light. Additionally, we investigated the thrust sensitivity and nanoparticle propellant injection dependencies upon thermal effects. As a result of our study, plasmonic force propulsion is at an early TRL 3. Active research and design has been conducted analytically and in the laboratory. Furthermore, practical applications such as the three case studies have been identified for the scientific basic principles that were observed. Future efforts related to fundamental understanding of these techniques should focus on 1) developing a standalone array of asymmetric nanostructures that can effectively interact with a stream or reservoir of particles or 2) experimentally evaluate a dielectrophoretic injector for nanoparticle propellant. The main limitation discovered about plasmonic propulsion regards performance estimates significantly below the Phase 1 estimations. Specifically, original assumptions in the Phase 1 project (notably, a linear array of asymmetric nanostructures) is not a viable approach to achieving significant acceleration, high exhaust velocity, of nanoparticles. More specifically, we assumed in Phase 1 that nanoparticles would be accelerated in series by a long linear array of asymmetric nanostructures. That is, the acceleration of the nanoparticle would build and increase with the kick received by each subsequent nanostructure. This is fundamentally flawed. The potential profile of a single nanostructure is such that it prohibits this phenomenon. The potential energy associated with the plasmon-generated dielectrophoretic force is a potential well, which is good for trapping nanoparticles, but cannot provide significant acceleration of particles to expel them out and away from the nanostructure. Further, a nanoparticle expelled from the first nanostructure would need to overcome the potential barrier for entry into the next nanostructure accelerating stage. Fundamentally, this effect means that a linear array of nanostructures is not a viable accelerating structure. Correspondingly then, acceleration can, or should, only be provided by one nanostructure, and the net acceleration and thrust force of a single nanostructure is small (~cm/s exhaust velocities, sub-nN level thrust vs. the 100’s m/s, μN originally envisioned). While our experiments demonstrated acceleration and manipulation of a nanoparticle using laser light in aqueous environment, the achievable energy and momentum addition to the nanoparticle from a single nanostructure stage is too low for useful propulsion. In terms of thrust prediction, the estimated thrust of 1.6 μN in Phase 1 is reduced to a few nN of thrust with this new insight and understanding of the concept. This thrust level is too small to achieve attitude control of swarms as originally envisioned.

Plasmonic Force

Transformation of CeO 2 Nanoparticles into Atomically Dispersed Ce Cations Leads to Enhanced Reactivity for Automotive Emissions Control

Nanosized cerium oxide (CeO 2 ) has been extensively used as the oxygen storage component in automotive emission control systems. However, the possible influence of atomically dispersed Ce in these catalysts has not been recognized. Here, in this study, we demonstrate the controllable transformation of ceria nanoparticles into isolated cerium cations on γ-Al 2 O 3 via reductive atom trapping in 10% H 2 at 800 °C, achieving over half-monolayer coverage. Dispersed Ce 1 ions anchored by surface penta- and octa-coordinated Al sites exhibit outstanding thermal stability in air up to 500 °C, enabling further loading of active metals with well-defined catalyst structures. With this strategy, supported single-atom Rh 1 surrounded by dispersed Ce 1 is confirmed to exhibit much superior performance to Rh 1 on bare Al 2 O 3 or nanocrystalline CeO 2 in catalyzing NO reduction by CO, exhibiting a striking one-order-of-magnitude increase in activity. Dispersed Ce 1 exhibits greatly enhanced oxygen transfer capability compared to ceria nanoparticles and introduces a modified reaction mechanism that involves an adjacent Rh 1 –Ce 1 motif, resulting in a greatly decreased activation barrier (from 192 to 96 kJ/mol). The reactivity enhancements are also seen with Ce 1 -promoted Pt nanoparticles for oxidation of CO and hydrocarbons.

Jiang, Dong [Washington State Univ., Pullman, WA (