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At least 1,585 records · Page 88

Golden rule kinetics of transfer reactions in condensed phase: The microscopic model of electron transfer reactions in disordered solid matrices

The algorithm for a theoretical calculation of transfer reaction rates for light quantum particles (i.e., the electron and H-atom transfers) in non-polar solid matrices is formulated and justified. The mechanism postulated involves a local mode (an either intra- or inter-molecular one) serving as a mediator which accomplishes the energy exchange between the reacting high-frequency quantum mode and the phonon modes belonging to the environment. This approach uses as a background the Fermi golden rule beyond the usually applied spin-boson approximation. The dynamical treatment rests on the one-dimensional version of the standard quantum relaxation equation for the reduced density matrix, which describes the frequency fluctuation spectrum for the local mode under consideration. The temperature dependence of a reaction rate is controlled by the dimensionless parameter ξ{sub 0}=ℏω{sub 0}/k{sub B}T where ω{sub 0} is the frequency of the local mode and T is the temperature. The realization of the computational scheme is different for the high/intermediate (ξ{sub 0} < 1 − 3) and for low (ξ{sub 0}≫ 1) temperature ranges. For the first (quasi-classical) kinetic regime, the Redfield approximation to the solution of the relaxation equation proved to be sufficient and efficient in practical applications. The study of the essentially quantum-mechanical low-temperature kinetic regime in its asymptotic limit requires the implementation of the exact relaxation equation. The coherent mechanism providing a non-vanishing reaction rate has been revealed when T→ 0. An accurate computational methodology for the cross-over kinetic regime needs a further elaboration. The original model of the hopping mechanism for electronic conduction in photosensitive organic materials is considered, based on the above techniques. The electron transfer (ET) in active centers of such systems proceeds via local intra- and intermolecular modes. The active modes, as a rule, operate beyond the kinetic regimes, which are usually postulated in the existing theories of the ET. Our alternative dynamic ET model for local modes immersed in the continuum harmonic medium is formulated for both classical and quantum regimes, and accounts explicitly for the mode/medium interaction. The kinetics of the energy exchange between the local ET subsystem and the surrounding environment essentially determine the total ET rate. The efficient computer code for rate computations is elaborated on. The computations are available for a wide range of system parameters, such as the temperature, external field, local mode frequency, and characteristics of mode/medium interaction. The relation of the present approach to the Marcus ET theory and to the quantum-statistical reaction rate theory [V. G. Levich and R. R. Dogonadze, Dokl. Akad. Nauk SSSR, Ser. Fiz. Khim. 124, 213 (1959); J. Ulstrup, Charge Transfer in Condensed Media (Springer, Berlin, 1979); M. Bixon and J. Jortner, Adv. Chem. Phys. 106, 35 (1999)] underlying it is discussed and illustrated by the results of computations for practically important target systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multi-mode advanced combustion engine with supervisory control

An engine system uses data associated with at least one operating condition of an engine to set the engine system to an AI mode when the engine is in an SI mode 1) within first operating condition limits, and 2) when a rate of change of a first operating condition is within rate of change limits, maintain the engine system in the SI mode when the engine is outside of first operating condition limits or when the rate of change of the first operating condition is not within rate of change limits, set the engine system to the SI mode when the engine is in the AI mode outside second operating condition limits, and maintain the engine system in the AI mode when the engine is within second operating condition limits, wherein the second operating condition limits are different from the first operating condition limits.

42 ENGINEERING↗

Influence of driving frequency on discharge modes in a dielectric-barrier discharge with multiple current pulses

A one-dimensional self-consistent fluid model was employed to investigate the effect of the driving frequency on the discharge modes in atmospheric-pressure argon discharge with multiple current pulses. The discharge mode was discussed in detail not only at current peaks but also between two adjacent peaks. The simulation results show that different transitions between the Townsend and glow modes during the discharge take place with the driving frequency increased. A complicated transition from the Townsend mode, through glow, Townsend, and glow, and finally back to the Townsend one is found in the discharge with the driving frequency of 8 kHz. There is a tendency of transition from the Townsend to glow mode for the discharge both at the current peaks and troughs with the increasing frequency. The discharge in the half period can all along operate in the glow mode with the driving frequency high enough. This is resulted from the preservation of more electrons in the gas gap and acquisition of more electron energy from the swiftly varying electric field with the increase in driving frequency. Comparison of the spatial and temporal evolutions of the electron density at different driving frequencies indicates that the increment of the driving frequency allows the plasma chemistry to be enhanced. This electrical characteristic is important for the applications, such as surface treatment and biomedical sterilization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Phenomena of oscillations in atmospheric pressure direct current glow discharges

Self-sustained oscillations in a dc glow discharge with a semiconductor layer at atmospheric pressure were investigated by means of a one-dimensional fluid model. It is found that the dc glow discharge initially becomes unstable in the subnormal glow region and gives rise to oscillations of plasma parameters. A variety of oscillations with one or more frequencies have been observed under different conditions. The discharge oscillates between the glow discharge mode and the Townsend discharge mode in the oscillations with large amplitude while operates in the subnormal glow discharge mode all the while in the oscillations with small amplitude. Fourier Transform spectra of oscillations reveal the transition mechanism between different oscillations. The effects of semiconductor conductivity on the oscillation frequency of the dominant mode, gas voltage, as well as the discharge current have also been analyzed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Three Way Catalyst-Selective Catalytic Reduction Aftertreatment System Evaluation for a Lean Burn Gasoline Engine Operating in Homogenous Charge Compression Ignition, Spark-Assisted Compression Ignition, and Spark-Ignited Combustion Modes

Low temperature and dilute homogenous charge compression ignition (HCCI) and spark-assisted compression ignition (SACI) can improve fuel efficiency and reduce engine-out NO x emissions, especially during lean operation. However, under lean operation, these combustion modes are unable to achieve Environmental Protection Agency (EPA) Tier 3 emissions standards without the use of lean aftertreatment. The three way catalyst (TWC)-SCR lean aftertreatment concept investigated in this work uses periodic-rich operation to produce NH 3 over a TWC to be stored on a selective catalytic reduction (SCR) catalyst for NO x conversion during subsequent lean operation. Experiments were performed with a modified 2.0 L gasoline engine that was cycled between lean HCCI and rich SACI operation and between lean and rich spark-ignited (SI) combustion to evaluate NO x conversion and fuel efficiency benefits. Different lambda values during rich operation and different times held in rich operation were investigated. Results are compared to a baseline case in which the engine is always operated at stoichiometric conditions. SCR system calculations are also presented to allow for comparisons of system performance for different levels of stored NH 3 . With the configuration used in this study, lean/rich HCCI/SACI operation resulted in a maximum NO x conversion efficiency of only 10%, while lean/rich SI operation resulted in a maximum NO x conversion efficiency of 60%. If the low conversion efficiency of HCCI/SACI operation could be improved through higher brick temperatures or additional SCR bricks, calculations indicate that TWC-SCR aftertreatment has the potential to provide attractive fuel efficiency benefits and near-zero tailpipe NO x . Calculated potential fuel efficiency improvement relative to stoichiometric SI is 7–17% for lean/rich HCCI/SACI with zero tailpipe NO x and -1 to 5% for lean/rich SI with zero tailpipe NO x emissions. Although the previous work indicated that the use of HCCI/SACI increases the time for NH 3 to start forming over the TWC during rich operation, reduces NH 3 production over the TWC per fuel amount, and increases NH 3 slip over the SCR catalyst, if NO x conversion efficiency could be enhanced, improvements in fuel efficiency could be realized while meeting stringent tailpipe NO x standards.

Engineering↗

POWER RECYCLING OF BURST-MODE LASER PULSES FOR LASER PARTICLE INTERACTIONS

A number of laser-particle interaction experiments such as the laser assisted hydrogen ion beam stripping or X-/ -ray generations via inverse-Compton scattering involve light sources operating in a burst mode to match the tem-poral structure of the particle beam. To mitigate the laser power challenge, it is important to make the interaction inside an optical cavity to recycle the laser power. In many cases, conventional cavity locking techniques will not work since the burst normally has a very small duty factor and low repetition rate and it is impossible to gen-erate an effective control signal. This work reports on the development of a doubly-resonant optical cavity scheme and its locking techniques that enables a simultaneous resonance of two laser beams with different spectra and/or temporal structures. We demonstrate that such a cavity can be used to recycle burst-mode ultra-violet laser pulses with arbitrary burst lengths and repetition rates.

burst mode laser↗

Spatiotemporal flame propagations, combustion and solid particle emissions from lean and stoichiometric gasoline direct injection engine operation

Increased particle number and mass emissions in gasoline direct injection (GDI) engines should require to investigate in-cylinder flame and combustion characteristics associated with primary source of particle emissions. In this article, in-cylinder spatiotemporal flame luminosity is quantitatively characterized to features combustion process and solid particle emissions from a GDI engine operating in two lean and one stoichiometric modes. Low- and high-steady state operating points were used to compare combustion strategies on flame development and emission characteristics. A fiber-optic sensor composed of eight measurement channels detected the flame front and the direction of the flame propagation in the combustion chamber. Solid particle emissions in the exhaust were measured using an engine exhaust particle sizer and a micro soot sensor. Results of the experiments showed that two lean combustion modes by injection strategies resulted in distinct combustion and flame development. Lean combustion modes generated high diffusion flame by burning stratified rich-mixture. Although the lean cases resulted in strong diffusion flames, the lean-homogeneous produced similar particle size distributions with the stoichiometric mode with high ash particles. Piston pool fires on the piston surface in the lean-stratified mode induced a large accumulation mode with high particle mass concentrations.

42 ENGINEERING↗

State-projective scheme for generating pair coherent states in traveling-wave optical fields

The pair coherent states of a two-mode quantized electromagnetic field introduced by Agarwal [Phys. Rev. Lett. 57, 827 (1986)] have yet to be generated in the laboratory. The states can mathematically be obtained from a product of ordinary coherent states via projection onto a subspace wherein identical photon number states of each mode are paired. We propose a scheme by which this projection can be engineered. The scheme requires relatively weak cross-Kerr nonlinearities, the ability to perform a displacement operation on a beam mode, and photon detection ability able to distinguish between zero and any other number of photons. These requirements can be fulfilled with currently available technology or technology that is on the horizon.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Performance study of the cross-flow Maisotsenko cycle in humid climate conditions

This paper presents a first numerical analysis of the cross-flow Maisotsenko cycle (M-Cycle) below dew-point evaporative cooler for humid climates with model including the water vapor condensation phenomenon. Proposed solution allows to cool ambient air below its dew-point temperature, by utilizing cooling energy in air extracted from the building, due to that it can be used as effective pre-cooling solution for traditional systems. Proposed unit has significant advantage over traditional counter and cross-flow units operating in heat recovery mode, hence it is almost insensitive on temperature of exhaust air. This is caused by effective pre-cooling of the exhaust air in its initial part. Operation in humid climates using cold extracted air results in condensation occurrence in the primary air channels, and hence partial dehumidification of the primary airflow (which allows to cool the air before its dew- point temperature). The Maisotsenko cycle exchanger used to recover heat in the air-conditioning system is compared with Maisotsenko exchanger that operates only on the ambient airflow and does not allow to recover heat from the exhaust airflow from a conditioned space. Achieved results showed that M-Cycle below dew-point air cooler can operate more effectively in humid climates than traditional cross-flow Maisotsenko cycle exchanger.

Condensation↗

Note: On the generation of sub-300 keV flash-X-rays using rod-pinch diode: An experimental investigation

Generation of flash X-rays (FXRs) at less than 500 keV is described with emphasis on experimental investigation. The pulser is a Tesla transformer-Water transmission line based pulsed power generator operating in double resonance mode to power a rod-pinch diode. The configuration of aspect ratio reported here falls much below the normally reported ratios for the rod-pinch diode operation. Experimental investigation at such low pulsed voltage has revealed “flowering” of the anode tip and “pitting” of the perspex window. A possible explanation in terms of Lorentz body force is discussed rather than the pinch mechanism generally suggested in literature. The experimental investigation for the FXR generation is corroborated by measuring the radiation dose using CaSO{sub 4} (Dy) thermo luminescent dosimeters.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The upgraded data acquisition system for beam loss monitoring at the Fermilab Tevatron and Main Injector

A VME-based data acquisition system for beam-loss monitors has been developed and is in use in the Tevatron and Main Injector accelerators at the Fermilab complex. The need for enhanced beam-loss protection when the Tevatron is operating in collider-mode was the main driving force for the new design. Prior to the implementation of the present system, the beam-loss monitor system was disabled during collider operation and protection of the Tevatron magnets relied on the quench protection system. The new Beam-Loss Monitor system allows appropriate abort logic and thresholds to be set over the full set of collider operating conditions. The system also records a history of beam-loss data prior to a beam-abort event for post-abort analysis. Installation of the Main Injector system occurred in the fall of 2006 and the Tevatron system in the summer of 2007. Both systems were fully operation by the summer of 2008. In this paper we report on the overall system design, provide a description of its normal operation, and show a number of examples of its use in both the Main Injector and Tevatron.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Ideas That Work! The Midnight Audit

The midnight audit provides valuable insight toward identifying opportunities to reduce energy consumption—insight that can be easily overlooked during the normal (daytime) energy auditing process. The purpose of the midnight audit is to observe after-hour operation with the mindset of seeking ways to further minimize energy consumption during the unoccupied mode and minimize energy waste by reducing unnecessary operation. The midnight audit should be used to verify that equipment is off when it is supposed to be, or operating in set-back mode when applicable. Even a facility that operates 2 shifts per day, 5 days per week experiences fewer annual hours in occupied mode than it does during unoccupied mode. Minimizing energy loads during unoccupied hours can save significant energy, which is why the midnight audit is an Idea That Works.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Decomposition of Nonlinear Dynamical Systems Using Koopman Gramians

In this paper we propose a new Koopman operator approach for nonlinear model decomposition using Koopman gramians. We introduce Koopman operators and discuss the notion of a input-Koopman operator. We show how input-Koopman operators can be used to cast a nonlinear system into the classical state-space form, as well as conditions under which input and state observable functions are well separated. We extend an existing method of dynamic mode decomposition for learning Koopman operators from data known as deep dynamic mode decomposition, for systems with control or disturbances. We illustrate the accuracy of the method on learning an input-state separable Koopman operator for an example system, even when the underlying system exhibits mixed state-input terms. Finally, we introduce a nonlinear decomposition algorithm, based on Koopman gramians, that maximizes internal subsystem observability and disturbance rejection from unwanted noise in other subsystems. To relieve the NP-hardness of the decomposition problem, we derive a relaxation based on Koopman gramians and multi-way partitioning. We illustrate our algorithm on a swing dynamics model for a IEEE 39 bus and discuss our findings.

Learning, Control, Distributed Control, koopman op↗

First-principles study of crystallographic slip modes in ω-Zr

We use first-principles density functional theory to study the preferred modes of slip in the high-pressure ω phase of Zr. The generalized stacking fault energy surfaces associated with shearing on nine distinct crystallographic slip modes in the hexagonal ω-Zr crystal are calculated, from which characteristics such as ideal shear stress, the dislocation Burgers vector, and possible accompanying atomic shuffles, are extracted. Comparison of energy barriers and ideal shear stresses suggests that the favorable modes are prismatic < c >, prismatic-II <101¯0> and pyramidal-II < c+a >, which are distinct from the ground state hexagonal close packed α phase of Zr. Operation of these three modes can accommodate any deformation state. The relative preferences among the identified slip modes are examined using a mean-field crystal plasticity model and comparing the calculated deformation texture with the measurement. In conclusion, knowledge of the basic crystallographic modes of slip is critical to understanding and analyzing the plastic deformation behavior of ω-Zr or mixed α-ω phase-Zr.

36 MATERIALS SCIENCE↗

In-line stirling energy system

A high efficiency generator is provided using a Stirling engine to amplify an acoustic wave by heating the gas in the engine in a forward mode. The engine is coupled to an alternator to convert heat input to the engine into electricity. A plurality of the engines and respective alternators can be coupled to operate in a timed sequence to produce multi-phase electricity without the need for conversion. The engine system may be operated in a reverse mode as a refrigerator/heat pump.

42 ENGINEERING↗

Gelator-doped liquid-crystal phase grating with multistable and dynamic modes

We demonstrate a gelator-doped nematic liquid-crystal (LC) phase grating, which can be operated in both the multistable mode and the dynamic mode. Thermoreversible association and dissociation of the gelator molecules can vary and fix the multistable diffraction efficiencies of the gratings. A voltage (V) can also be applied to modulate dynamically the diffraction efficiencies of the grating, which behaves as a conventional LC grating. Experimental results show that the variations of the diffraction efficiencies in the multistable and dynamic modes are similar. The maximum diffraction efficiency is approximately 30% at V = 2 V.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Characterization of a dimer preparation method for nanoscale organic aerosol

Nanoscale dimers have application in studies of aerosol physicochemical properties such as aerosol viscosity. These particle dimers can be synthesized using the dual tandem differential mobility analyzer (DTDMA) technique, wherein oppositely charged particle streams coagulate to form dimers that can be isolated using electrostatic filtration. Although some characterization of the technique has been published, a detailed thesis on the modes and theory of operation has remained outside the scope of prior work. In this paper we present new experimental data characterizing the output DTDMA size distribution and the physical processes underlying its apparent modes. Key experimental limitations for both general applications and for viscosity measurements are identified and quantified in six distinct types of DTDMA experiments. The primary consideration is the production of an adequate number of dimers, which typically requires high mobility-selected number concentration in the range 25,000-100,000 cm -3 . The requisite concentration threshold depends upon the rate of spontaneous monomer decharging, which arises predominately from interactions of the aerosol with ionizing radiation within the coagulation chamber and is instrument location dependent. Lead shielding of the coagulation chamber reduced the first-order decharging constant from ~2.0 x 10 -5 s -1 to ~0.8 x 10 -5 s -1 in our laboratory. Dimer production at monomer diameters less than 40 nm is hindered by low bipolar charging efficiency. Results from the characterization experiments shed light on design considerations for general applications and for characterization of viscous aerosol phase transitions.

54 ENVIRONMENTAL SCIENCES↗

A Two-stage Injection-locked Magnetron for Accelerators with Superconducting Cavities

A concept for a two-stage injection-locked CW magnetron intended to drive Superconducting Cavities (SC) for intensity-frontier accelerators has been proposed. The concept considers two magnetrons in which the output power differs by 15-20 dB and the lower power magnetron being frequency-locked from an external source locks the higher power magnetron. The injection-locked two-stage CW magnetron can be used as an RF power source for Fermilab's Project-X to feed separately each of the 1.3 GHz SC of the 8 GeV pulsed linac. We expect output/locking power ratio of about 30-40 dB assuming operation in a pulsed mode with pulse duration of ~ 8 ms and repetition rate of 10 Hz. The experimental setup of a two-stage magnetron utilising CW, S-band, 1 kW tubes operating at pulse duration of 1-10 ms, and the obtained results are presented and discussed in this paper.

43 PARTICLE ACCELERATORS↗