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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

System and method for modeling and forecasting cyclical demand systems with dynamic controls and dynamic incentives

Systems and methods for modeling and forecasting cyclical demand systems in the presence of dynamic control or dynamic incentives. A method for modeling a cyclical demand system comprises obtaining historical data on one or more demand measurements over a plurality of demand cycles, obtaining historical data on incentive signals over the plurality of demand cycles, constructing a model using the obtained historical data on the one or more demand measurements and the incentive signals, wherein constructing the model comprises specifying a state-space model, specifying variance parameters in the model, and estimating unknown variance parameters.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2016

Controlling Proton Delivery with Catalyst Structural Dynamics

The fastest synthetic molecular catalysts for production and oxidation of H2 emulate components of the active site of natural hydrogenases. The role of controlled structural dynamics is recognized as a critical component in the catalytic performance of many enzymes, including hydrogenases, but is largely neglected in the design of synthetic molecular cata-lysts. In this work, the impact of controlling structural dynamics on the rate of production of H2 was studied for a series of [Ni(PPh2NC6H4-R2)2]2+ catalysts including R = n-hexyl, n-decyl, n-tetradecyl, n-octadecyl, phenyl, or cyclohexyl. A strong correlation was observed between the ligand structural dynamics and the rates of electrocatalytic hydrogen production in acetonitrile, acetonitrile-water, and protic ionic liquid-water mixtures. Specifically, the turnover frequencies correlate inversely with the rates of ring inversion of the amine-containing ligand, as this dynamic process dictates the positioning of the proton relay in the second coordination sphere and therefore governs protonation at either catalytically productive or non-productive sites. This study demonstrates that the dynamic processes involved in proton delivery can be controlled through modifications of the outer coordination sphere of the catalyst, similar to the role of the protein architecture in many enzymes. The present work provides new mechanistic insight into the large rate enhancements observed in aqueous protic ionic liquid media for the [Ni(PPh2NR2)]2+ family of catalysts. The incorporation of controlled structural dynamics as a design parameter to modulate proton delivery in molecular catalysts has enabled H2 production rates that are up to three orders of magnitude faster than the [Ni(PPh2NPh2)]2+complex. The observed turnover frequencies are up to 106 s-1 in acetonitrile-water, and over 107 s-1 in protic ionic liquid-water mixtures, with a minimal increase in overpotential. This material is based upon work supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, and was performed in part using the Molecular Science Computing Facility (MSCF) in the William R. Wiley Environmental Molecular Sciences Laboratory, a DOE national scientific user facility located at Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for DOE.

electrocatalysis, structural dynamics↗
DOE OSTI2015

Dynamic control of metastable remanent states in mesoscale magnetic elements

The formation of the vortex-antivortex-vortex (v-av-v) metastable remanent states in elongated magnetic elements have been systematically investigated using micromagnetic modeling. It is demonstrated that the v-av-v magnetization pattern can be effectively stabilized by exciting the single vortex state with an external RF field. Furthermore, we show that a set of different polarity combinations of the vortex cores can be achieved by adjusting the frequency and amplitude of the excitation field. The corresponding dynamic response in time- and frequency-domain has also been presented. Owing to the diversity of the collective modes with different vortex-antivortex combinations, this system may open promising perspectives in the area of spin transfer torque oscillators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Reversible Reactions, Mesh Size, and Segmental Dynamics Control Penetrant Diffusion in Ethylene Vitrimers

The diffusion of two aromatic dyes with nearly identical sizes was measured in ethylene vitrimers with precise linker lengths and borate ester cross-links using fluorescence recovery after photobleaching (FRAP). One dye possessed a reactive hydroxyl group, while the second was inert. The reaction of the hydroxyl group with the network is slow relative to the hopping times of the dye, resulting in a large slowdown by a factor of 50 for a reactive probe molecule. A kinetic model was fit to the fluorescence intensity data to determine rate constants for the reversible reaction of the dye from the network, which confirms the role of slow reaction kinetics. A second network cross-linker was also investigated with a substituted boronic ester showing ∼10,000 times faster exchange kinetics. In this system, the two dyes show the same diffusion coefficient, as the reaction is no longer the rate-limiting step. The role of dense meshes on small and large dyes is also discussed in the context of the existing theories. Finally, these results highlight the potential of dynamic networks to control penetrant transport through synergistic effects of the mesh size, dynamic bond kinetics, and penetrant–network interactions.

confinement↗
DOE OSTI2017

Classical-driving-assisted entanglement dynamics control

We propose a scheme of controlling entanglement dynamics of a quantum system by applying the external classical driving field for two atoms separately located in a single-mode photon cavity. It is shown that, with a judicious choice of the classical-driving strength and the atom–photon detuning, the effective atom–photon interaction Hamiltonian can be switched from Jaynes–Cummings model to anti-Jaynes–Cummings model. By tuning the controllable atom–photon interaction induced by the classical field, we illustrate that the evolution trajectory of the Bell-like entanglement states can be manipulated from entanglement-sudden-death to no-entanglement-sudden-death, from no-entanglement-invariant to entanglement-invariant. Furthermore, the robustness of the initial Bell-like entanglement can be improved by the classical driving field in the leaky cavities. This classical-driving-assisted architecture can be easily extensible to multi-atom quantum system for scalability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Dynamic control of the optical emission from GaN/InGaN nanowire quantum dots by surface acoustic waves

The optical emission of InGaN quantum dots embedded in GaN nanowires is dynamically controlled by a surface acoustic wave (SAW). The emission energy of both the exciton and biexciton lines is modulated over a 1.5 meV range at ∼330 MHz. A small but systematic difference in the exciton and biexciton spectral modulation reveals a linear change of the biexciton binding energy with the SAW amplitude. The present results are relevant for the dynamic control of individual single photon emitters based on nitride semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Dynamic control of laser driven proton beams by exploiting self-generated, ultrashort electromagnetic pulses

As part of the ultrafast charge dynamics initiated by high intensity laser irradiations of solid targets, high amplitude EM pulses propagate away from the interaction point and are transported along any stalks and wires attached to the target. The propagation of these high amplitude pulses along a thin wire connected to a laser irradiated target was diagnosed via the proton radiography technique, measuring a pulse duration of ∼20 ps and a pulse velocity close to the speed of light. The strong electric field associated with the EM pulse can be exploited for controlling dynamically the proton beams produced from a laser-driven source. Chromatic divergence control of broadband laser driven protons (upto 75% reduction in divergence of >5 MeV protons) was obtained by winding the supporting wire around the proton beam axis to create a helical coil structure. In addition to providing focussing and energy selection, the technique has the potential to post-accelerate the transiting protons by the longitudinal component of the curved electric field lines produced by the helical coil lens.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Dynamic control of polarization-inverted modes in three-dimensionally trapped multiple nanogaps

We propose a guiding principle for the dynamic control of polarization-inverted modes in multiple nanogaps for unconventional optical transitions of molecules at arbitrary three-dimensional spatial positions. Based on our developed self-consistent theory for the optical assembly of nanoparticles (NPs), we clarified that spherical silver NPs can be optically trapped and aligned in the light-propagating direction via longitudinally polarized light; they form a rod-like nano-composite with multiple nanogaps. During trapping, there is a possibility that an additional irradiation of linearly polarized far-field light may excite the bonding and anti-bonding dark plasmon modes with low radiative decay rate of several meV via cancellation of inverted polarization. Our finding reveals that not only the steep change in the enhanced intensity of light field but also the phase inversion of light field between the dynamically formed nanogaps will pave the way to the highly sensitive sensors for molecules, the unconventional chemical reactions, and so on.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

A dynamic control approach for energy-efficient production scheduling on a single machine under time-varying electricity pricing

This paper proposes a dynamic control algorithm to enable an energy-aware single machine scheduling under the time-varying electricity pricing policy, in which price rates remain fixed day-to-day over the season. The key issue is to assign a set of jobs to available time periods where different electricity prices are assigned, while considering requested due dates of jobs so as to minimize total penalty costs for earliness and tardiness of jobs and total energy consumption costs, simultaneously. As the first contribution of this study, we develop a new mixed integer nonlinear programming (MINLP) model that aims at determining job arrival times and resulting earliness and tardiness of jobs and energy consumption costs for machine idle and normal processing. Second, an efficient heuristic approach based on continuous-time variable control models and algorithm is developed. The proposed heuristic adaptively changes job arrival times and due dates, which finally determine production sequence over the time periods of different electricity prices, machine turn-off, and machine idle with minimum energy consumption costs and just-in-time (JIT) penalty. Energy and JIT performance of the proposed approach is examined using real energy and machining parameters of a HAAS machine and compared to those of the metaheuristic approach. For relatively large size data groups, the proposed approach incurs about higher energy consumption costs on average, which are offset by up to lower JIT costs, resulting in lower total costs on average compared to the metaheuristic approach. Further, the proposed time-scaled heuristic algorithm yields extremely short computational time, which enables production managers to flexibly select proper production strategies and to implement them for different production environments.

42 ENGINEERING↗
DOE OSTI2016

Steering microtubule shuttle transport with dynamically controlled magnetic fields

Nanoscale control of matter is critical to the design of integrated nanosystems. Here, we describe a method to dynamically control directionality of microtubule (MT) motion using programmable magnetic fields. MTs are combined with magnetic quantum dots (i.e., MagDots) that are manipulated by external magnetic fields provided by magnetic nanowires. MT shuttles thus undergo both ATP-driven and externally-directed motion with a fluorescence component that permits simultaneous visualization of shuttle motion. This technology is used to alter the trajectory of MTs in motion and to pin MT motion. Ultimately, such an approach could be used to evaluate the MT-kinesin transport system and could serve as the basis for improved lab-on-a-chip technologies based on MT transport.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

A flexible metal–organic framework: Guest molecules controlled dynamic gas adsorption

A flexible metal–organic framework (MOF) of [Zn 3 (btca) 2 (OH) 2 ]·(guest) n (H 2 btca = 1,2,3-benzotriazole-5-carboxylic acid) that exhibits guest molecule-controlled dynamic gas adsorption is reported in which carbon dioxide molecules rather than N 2 , He, and Ar induce a structural transition with a corresponding appearance of additional steps in the isotherms. Physical insights into the dynamic adsorption behaviors of flexible compound 1 were detected by gas adsorption at different temperatures and different pressures and confirmed by Fourier transform infrared spectroscopy and molecular simulations. Interestingly, by taking advantage of the flexible nature inherent to the framework, this MOF material enables highly selective adsorption of CO 2 /N 2 , CO 2 /Ar, and CO 2 /He of 36.3, 32.6, and 35.9, respectively, at 298 K. Furthermore, this class of flexible MOFs has potential applications for controlled release, molecular sensing, noble gas separation, smart membranes, and nanotechnological devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Data-driven Resilience Characterization of Control Dynamical Systems

In this paper, we define and quantify resiliency of a power network and propose data-driven algorithms for computing the same for the power grid. To do this, we use the Koopman operator framework to lift the controlled dynamical system to an abstract (possibly higher) dimensional space, where the evolution is linear. The linear system representation allows us to relate small time local controllability and observability of a general nonlinear control system to the controllability and observability of the lifted linear system. Finally, we define the resiliency of the underlying power grid in terms of the controllability and observability gramians of the lifted linear system. We illustrate the proposed approach to compute the resiliency metrics on time-series data obtained from a microgrid.

koopman operator, resilience, control↗