Laboratory Studies of Thermal Energy Charge Transfer of Silicon and Iron Ions in Astrophysical Plasmas

NASA Technical Reports Server (NTRS)

Kwong, Victor H. S.

1996-01-01

Charge transfer at electron-volt energies between multiply charged atomic ions and neutral atoms and molecules is of considerable importance in astrophysics, plasma physics, and in particular, fusion plasmas. In the year covered by this report, several major tasks were completed. These include: (1) the re-calibration of the ion gauge to measure the absolute particle densities of H2, He, N2, and CO for our current measurements; (2) the analysis of data for charge transfer reactions of N(exp 2 plus) ion and He, H2, N2, and CO; (3) measurement and data analysis of the charge transfer reaction of (Fe(exp 2 plus) ion and H2; (4) charge transfer measurement of Fe(exp 2 plus) ion and H2; and (5) redesign and modification of the ion detection and data acquisition system for the low energy beam facility (reflection time of flight mass spectrometer) dedicated to the study of state select charge transfer.

Interference of interchromophoric energy-transfer pathways in π-conjugated macrocycles

DOE PAGES

Alfonso Hernandez, Laura; Nelson, Tammie Renee; Gelin, Maxim F.; ...

2016-11-10

The interchromophoric energy-transfer pathways between weakly coupled units in a π-conjugated phenylene–ethynylene macrocycle and its half-ring analogue have been investigated using the nonadiabatic excited-state molecular dynamics approach. To track the flow of electronic transition density between macrocycle units, we formulate a transition density flux analysis adapted from the statistical minimum flow method previously developed to investigate vibrational energy flow. Following photoexcitation, transition density is primarily delocalized on two chromophore units and the system undergoes ultrafast energy transfer, creating a localized excited state on a single unit. In the macrocycle, distinct chromophore units donate transition density to a single acceptor unitmore » but do not interchange transition density among each other. We find that energy transfer in the macrocycle is slower than in the corresponding half ring because of the presence of multiple interfering energy-transfer pathways. Finally, simulation results are validated by modeling the fluorescence anisotropy decay.« less

Fast mean and variance computation of the diffuse sound transmission through finite-sized thick and layered wall and floor systems

NASA Astrophysics Data System (ADS)

Decraene, Carolina; Dijckmans, Arne; Reynders, Edwin P. B.

2018-05-01

A method is developed for computing the mean and variance of the diffuse field sound transmission loss of finite-sized layered wall and floor systems that consist of solid, fluid and/or poroelastic layers. This is achieved by coupling a transfer matrix model of the wall or floor to statistical energy analysis subsystem models of the adjacent room volumes. The modal behavior of the wall is approximately accounted for by projecting the wall displacement onto a set of sinusoidal lateral basis functions. This hybrid modal transfer matrix-statistical energy analysis method is validated on multiple wall systems: a thin steel plate, a polymethyl methacrylate panel, a thick brick wall, a sandwich panel, a double-leaf wall with poro-elastic material in the cavity, and a double glazing. The predictions are compared with experimental data and with results obtained using alternative prediction methods such as the transfer matrix method with spatial windowing, the hybrid wave based-transfer matrix method, and the hybrid finite element-statistical energy analysis method. These comparisons confirm the prediction accuracy of the proposed method and the computational efficiency against the conventional hybrid finite element-statistical energy analysis method.

Redistribution of carbonyl stretch mode energy in isolated and solvated N-methylacetamide: kinetic energy spectral density analyses.

PubMed

Jeon, Jonggu; Cho, Minhaeng

2011-12-07

The vibrational energy transfer from the excited carbonyl stretch mode in N-deuterated N-methylacetamide (NMA-d), both in isolation and in a heavy water cluster, is studied with nonequilibrium molecular dynamics (NEMD) simulations, employing a quantum mechanical/molecular mechanical (QM∕MM) force field at the semiempirical PM3 level. The nonequilibrium ensemble of vibrationally excited NMA-d is prepared by perturbing the positions and velocities of the carbonyl C and O atoms and its NEMD trajectories are obtained with a leap-frog algorithm properly modified for the initial perturbation. In addition to the time-domain analysis of the kinetic and potential energies, a novel method for the spectral analysis of the atomic kinetic energies is developed, in terms of the spectral density of kinetic energy, which provides the time-dependent changes of the frequency-resolved kinetic energies without the complications of normal mode analysis at every MD time step. Due to the QM description of the solute electronic structure, the couplings among the normal modes are captured more realistically than with classical force fields. The energy transfer in the isolated NMA-d is found to proceed first from the carbonyl bond to other modes with time scales of 3 ps or less, and then among the other modes over 3-21 ps. In the solvated NMA-d, most of the excess energy is first transferred to other intramolecular modes within 5 ps, which is subsequently dissipated to solvent with 7-19 ps time scales. The contribution of the direct energy transfer from the carbonyl bond to solvent was only 5% with ~7 ps time scale. Solvent reorganization that leads to destabilization of the electrostatic interactions is found to be crucial in the long time relaxation of the excess energy, while the water intramolecular modes do not contribute significantly. Detailed mode-specific energy transfer pathways are deduced for the isolated and solvated NMA-d and they show that the energy transfer in NMA-d is a highly cooperative process among the intramolecular modes and there is no single dominant pathway with more than 30% of transient contribution. © 2011 American Institute of Physics

Nonequilibrium Energy Transfer at Nanoscale: A Unified Theory from Weak to Strong Coupling

NASA Astrophysics Data System (ADS)

Wang, Chen; Ren, Jie; Cao, Jianshu

2015-07-01

Unraveling the microscopic mechanism of quantum energy transfer across two-level systems provides crucial insights to the optimal design and potential applications of low-dimensional nanodevices. Here, we study the non-equilibrium spin-boson model as a minimal prototype and develop a fluctuation-decoupled quantum master equation approach that is valid ranging from the weak to the strong system-bath coupling regime. The exact expression of energy flux is analytically established, which dissects the energy transfer as multiple boson processes with even and odd parity. Our analysis provides a unified interpretation of several observations, including coherence-enhanced heat flux and negative differential thermal conductance. The results will have broad implications for the fine control of energy transfer in nano-structural devices.

Nonequilibrium Energy Transfer at Nanoscale: A Unified Theory from Weak to Strong Coupling

PubMed Central

Wang, Chen; Ren, Jie; Cao, Jianshu

2015-01-01

Unraveling the microscopic mechanism of quantum energy transfer across two-level systems provides crucial insights to the optimal design and potential applications of low-dimensional nanodevices. Here, we study the non-equilibrium spin-boson model as a minimal prototype and develop a fluctuation-decoupled quantum master equation approach that is valid ranging from the weak to the strong system-bath coupling regime. The exact expression of energy flux is analytically established, which dissects the energy transfer as multiple boson processes with even and odd parity. Our analysis provides a unified interpretation of several observations, including coherence-enhanced heat flux and negative differential thermal conductance. The results will have broad implications for the fine control of energy transfer in nano-structural devices. PMID:26152705

Broadband down-conversion based near infrared quantum cutting in Eu{sup 2+}–Yb{sup 3+} co-doped SrAl{sub 2}O{sub 4} for crystalline silicon solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tai, Yuping, E-mail: yupingtai@126.com; Zheng, Guojun, E-mail: zhengguojun88@126.com; Wang, Hui, E-mail: huiwang@nwu.edu.cn

2015-03-15

Near infrared (NIR) quantum cutting involving the down conversion of an absorbed visible photon to emission of two NIR photons was achieved in SrAl{sub 2}O{sub 4}:0.01Eu{sup 2+}, xYb{sup 3+} (x=0, 1, 2, 5, 10, 20, 30 mol%) samples. The photoluminescence properties of samples in visible and NIR regions were measured to verify the energy transfer (ET) from Eu{sup 2+} to Yb{sup 3+}. The results demonstrated that Eu{sup 2+} was an efficient sensitizer for Yb{sup 3+} in the SrAl{sub 2}O{sub 4} host lattice. According to Gaussian fitting analysis and temperature-dependent luminescence experiments, the conclusion was drawn that the cooperative energy transfermore » (CET) process dominated the ET process and the influence of charge transfer state (CTS) of Yb{sup 3+} could be negligible. As a result, the high energy transfer efficiency (ETE) and quantum yield (QY) have been acquired, the maximum value approached 73.68% and 147.36%, respectively. Therefore, this down-conversion material has potential application in crystalline silicon solar cells to improve conversion efficiency. - Graphical abstract: Near infrared quantum cutting was achieved in Eu{sup 2+}–Yb{sup 3+} co-doped SrAl{sub 2}O{sub 4} samples. The cooperative energy transfer process dominated energy transfer process and high energy transfer efficiency was acquired. - Highlights: • The absorption spectrum of Eu{sup 2+} ion is strong in intensity and broad in bandwidth. • The spectra of Eu{sup 2+} in SrAl{sub 2}O{sub 4} lies in the strongest region of solar spectrum. • The cooperative energy transfer (CET) dominated the energy transfer process. • The domination of CET is confirmed by experimental analysis. • SrAl{sub 2}O{sub 4}:Eu{sup 2+},Yb{sup 3+} show high energy transfer efficiency and long lifetime.« less

Three-dimensional single-molecule localization with nanometer accuracy using Metal-Induced Energy Transfer (MIET) imaging

NASA Astrophysics Data System (ADS)

Karedla, Narain; Chizhik, Anna M.; Stein, Simon C.; Ruhlandt, Daja; Gregor, Ingo; Chizhik, Alexey I.; Enderlein, Jörg

2018-05-01

Our paper presents the first theoretical and experimental study using single-molecule Metal-Induced Energy Transfer (smMIET) for localizing single fluorescent molecules in three dimensions. Metal-Induced Energy Transfer describes the resonant energy transfer from the excited state of a fluorescent emitter to surface plasmons in a metal nanostructure. This energy transfer is strongly distance-dependent and can be used to localize an emitter along one dimension. We have used Metal-Induced Energy Transfer in the past for localizing fluorescent emitters with nanometer accuracy along the optical axis of a microscope. The combination of smMIET with single-molecule localization based super-resolution microscopy that provides nanometer lateral localization accuracy offers the prospect of achieving isotropic nanometer localization accuracy in all three spatial dimensions. We give a thorough theoretical explanation and analysis of smMIET, describe its experimental requirements, also in its combination with lateral single-molecule localization techniques, and present first proof-of-principle experiments using dye molecules immobilized on top of a silica spacer, and of dye molecules embedded in thin polymer films.

Modeling Cr-to-Tm and Cr-to-Tm-to-Ho energy transfer in YAG crystals

NASA Technical Reports Server (NTRS)

Swetits, John J.

1991-01-01

A systematic analysis of energy transfer processes in crystals of YAG doped with varying concentrations of Cr and Tm is described. Both spectral measurements and measurements of the temporal response to pulsed excitation are used to give independent determinations of the microscopic interaction parameter for Cr to Tm transfer. The different factors in influencing the temperature dependence of the Cr to Tm transfer are discussed. The dependence of the Tm cross-relaxation rate on Tm concentration is determined.

Single-wave-number representation of nonlinear energy spectrum in elastic-wave turbulence of the Föppl-von Kármán equation: energy decomposition analysis and energy budget.

PubMed

Yokoyama, Naoto; Takaoka, Masanori

2014-12-01

A single-wave-number representation of a nonlinear energy spectrum, i.e., a stretching-energy spectrum, is found in elastic-wave turbulence governed by the Föppl-von Kármán (FvK) equation. The representation enables energy decomposition analysis in the wave-number space and analytical expressions of detailed energy budgets in the nonlinear interactions. We numerically solved the FvK equation and observed the following facts. Kinetic energy and bending energy are comparable with each other at large wave numbers as the weak turbulence theory suggests. On the other hand, stretching energy is larger than the bending energy at small wave numbers, i.e., the nonlinearity is relatively strong. The strong correlation between a mode a(k) and its companion mode a(-k) is observed at the small wave numbers. The energy is input into the wave field through stretching-energy transfer at the small wave numbers, and dissipated through the quartic part of kinetic-energy transfer at the large wave numbers. Total-energy flux consistent with energy conservation is calculated directly by using the analytical expression of the total-energy transfer, and the forward energy cascade is observed clearly.

Moisture transfer through the membrane of a cross-flow energy recovery ventilator: Measurement and simple data-driven modeling

Treesearch

CR Boardman; Samuel V. Glass

2015-01-01

The moisture transfer effectiveness (or latent effectiveness) of a cross-flow, membrane based energy recovery ventilator is measured and modeled. Analysis of in situ measurements for a full year shows that energy recovery ventilator latent effectiveness increases with increasing average relative humidity and surprisingly increases with decreasing average temperature. A...

Energy transfer dynamics in trimers and aggregates of light-harvesting complex II probed by 2D electronic spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Enriquez, Miriam M.; Zhang, Cheng; Tan, Howe-Siang, E-mail: howesiang@ntu.edu.sg

2015-06-07

The pathways and dynamics of excitation energy transfer between the chlorophyll (Chl) domains in solubilized trimeric and aggregated light-harvesting complex II (LHCII) are examined using two-dimensional electronic spectroscopy (2DES). The LHCII trimers and aggregates exhibit the unquenched and quenched excitonic states of Chl a, respectively. 2DES allows direct correlation of excitation and emission energies of coupled states over population time delays, hence enabling mapping of the energy flow between Chls. By the excitation of the entire Chl b Q{sub y} band, energy transfer from Chl b to Chl a states is monitored in the LHCII trimers and aggregates. Global analysismore » of the two-dimensional (2D) spectra reveals that energy transfer from Chl b to Chl a occurs on fast and slow time scales of 240–270 fs and 2.8 ps for both forms of LHCII. 2D decay-associated spectra resulting from the global analysis identify the correlation between Chl states involved in the energy transfer and decay at a given lifetime. The contribution of singlet–singlet annihilation on the kinetics of Chl energy transfer and decay is also modelled and discussed. The results show a marked change in the energy transfer kinetics in the time range of a few picoseconds. Owing to slow energy equilibration processes, long-lived intermediate Chl a states are present in solubilized trimers, while in aggregates, the population decay of these excited states is significantly accelerated, suggesting that, overall, the energy transfer within the LHCII complexes is faster in the aggregated state.« less

Interaction-component analysis of the effects of urea and its alkylated derivatives on the structure of T4-lysozyme

NASA Astrophysics Data System (ADS)

Yamamori, Yu; Matubayasi, Nobuyuki

2017-06-01

The effects of urea and its alkylated derivatives on the structure of T4-lysozyme were analyzed from the standpoint of energetics. Molecular dynamics simulations were conducted with explicit solvent, and the energy-representation method was employed to compute the free energy of transfer of the protein from pure-water solvent to the mixed solvents of water with urea, methylurea, 1,1-dimethylurea, and isopropylurea. Through the decomposition of the transfer free energy into the cosolvent and water contributions, it was observed that the former is partially cancelled by the latter and governs the total free energy of transfer. To determine the interaction component responsible for the transfer energetics, the correlations of the transfer free energy were also examined against the change in the solute-solvent interaction energy upon transfer and the corresponding changes in the electrostatic, van der Waals, and excluded-volume components. It was then found over the set of protein structures ranging from native to (partially) unfolded ones that the transfer free energy changes in parallel with the van der Waals component even when the cosolvent is alkylated. The electrostatic and excluded-volume components play minor roles in the structure modification of the protein, and the denaturing ability of alkylurea is brought by the van der Waals interaction.

Photoexcited energy transfer in a weakly coupled dimer

DOE PAGES

Hernandez, Laura Alfonso; Nelson, Tammie; Tretiak, Sergei; ...

2015-01-08

Nonadiabatic excited-state molecular dynamics (NA-ESMD) simulations have been performed in order to study the time-dependent exciton localization during energy transfer between two chromophore units of the weakly coupled anthracene dimer dithia-anthracenophane (DTA). Simulations are done at both low temperature (10 K) and room temperature (300 K). The initial photoexcitation creates an exciton which is primarily localized on a single monomer unit. Subsequently, the exciton experiences an ultrafast energy transfer becoming localized on either one monomer unit or the other, whereas delocalization between both monomers never occurs. In half of the trajectories, the electronic transition density becomes completely localized on themore » same monomer as the initial excitation, while in the other half, it becomes completely localized on the opposite monomer. In this article, we present an analysis of the energy transfer dynamics and the effect of thermally induced geometry distortions on the exciton localization. Finally, simulated fluorescence anisotropy decay curves for both DTA and the monomer unit dimethyl anthracene (DMA) are compared. As a result, our analysis reveals that changes in the transition density localization caused by energy transfer between two monomers in DTA is not the only source of depolarization and exciton relaxation within a single DTA monomer unit can also cause reorientation of the transition dipole.« less

Photoexcited Energy Transfer in a Weakly Coupled Dimer.

PubMed

Alfonso Hernandez, Laura; Nelson, Tammie; Tretiak, Sergei; Fernandez-Alberti, Sebastian

2015-06-18

Nonadiabatic excited-state molecular dynamics (NA-ESMD) simulations have been performed in order to study the time-dependent exciton localization during energy transfer between two chromophore units of the weakly coupled anthracene dimer dithia-anthracenophane (DTA). Simulations are done at both low temperature (10 K) and room temperature (300 K). The initial photoexcitation creates an exciton which is primarily localized on a single monomer unit. Subsequently, the exciton experiences an ultrafast energy transfer becoming localized on either one monomer unit or the other, whereas delocalization between both monomers never occurs. In half of the trajectories, the electronic transition density becomes completely localized on the same monomer as the initial excitation, while in the other half, it becomes completely localized on the opposite monomer. In this article, we present an analysis of the energy transfer dynamics and the effect of thermally induced geometry distortions on the exciton localization. Finally, simulated fluorescence anisotropy decay curves for both DTA and the monomer unit dimethyl anthracene (DMA) are compared. Our analysis reveals that changes in the transition density localization caused by energy transfer between two monomers in DTA is not the only source of depolarization and exciton relaxation within a single DTA monomer unit can also cause reorientation of the transition dipole.

Volume-energy parameters for heat transfer to supercritical fluids

NASA Technical Reports Server (NTRS)

Kumakawa, A.; Niino, M.; Hendricks, R. C.; Giarratano, P. J.; Arp, V. D.

1986-01-01

Reduced Nusselt numbers of supercritical fluids from different sources were grouped by several volume-energy parameters. A modified bulk expansion parameter was introduced based on a comparative analysis of data scatter. Heat transfer experiments on liquefied methane were conducted under near-critical conditions in order to confirm the usefulness of the parameters. It was experimentally revealed that heat transfer characteristics of near-critical methane are similar to those of hydrogen. It was shown that the modified bulk expansion parameter and the Gibbs-energy parameter grouped the heat transfer data of hydrogen, oxygen and methane including the present data on near-critical methane. It was also indicated that the effects of surface roughness on heat transfer were very important in grouping the data of high Reynolds numbers.

Vibronic Wavepackets and Energy Transfer in Cryptophyte Light-Harvesting Complexes.

PubMed

Jumper, Chanelle C; van Stokkum, Ivo H M; Mirkovic, Tihana; Scholes, Gregory D

2018-06-21

Determining the key features of high-efficiency photosynthetic energy transfer remains an ongoing task. Recently, there has been evidence for the role of vibronic coherence in linking donor and acceptor states to redistribute oscillator strength for enhanced energy transfer. To gain further insights into the interplay between vibronic wavepackets and energy-transfer dynamics, we systematically compare four structurally related phycobiliproteins from cryptophyte algae by broad-band pump-probe spectroscopy and extend a parametric model based on global analysis to include vibrational wavepacket characterization. The four phycobiliproteins isolated from cryptophyte algae are two "open" structures and two "closed" structures. The closed structures exhibit strong exciton coupling in the central dimer. The dominant energy-transfer pathway occurs on the subpicosecond timescale across the largest energy gap in each of the proteins, from central to peripheral chromophores. All proteins exhibit a strong 1585 cm -1 coherent oscillation whose relative amplitude, a measure of vibronic intensity borrowing from resonance between donor and acceptor states, scales with both energy-transfer rates and damping rates. Central exciton splitting may aid in bringing the vibronically linked donor and acceptor states into better resonance resulting in the observed doubled rate in the closed structures. Several excited-state vibrational wavepackets persist on timescales relevant to energy transfer, highlighting the importance of further investigation of the interplay between electronic coupling and nuclear degrees of freedom in studies on high-efficiency photosynthesis.

Cascades of energy and helicity in axisymmetric turbulence

NASA Astrophysics Data System (ADS)

Qu, Bo; Naso, Aurore; Bos, Wouter J. T.

2018-01-01

A spectral analysis of strictly axisymmetric turbulence is performed. Both freely decaying and statistically steady flows are considered. In helical flows we identify a dual cascade, where energy is transferred towards the large scales and helicity to the smallest ones. It is shown that even in the absence of net helicity, a dual cascade persists, transferring energy backward and positively and negatively polarized helicity fluctuations forward.

The impact of symmetric modes on intramolecular electron transfer: A semi-classical approach

NASA Astrophysics Data System (ADS)

Coropceanu, Veaceslav; Boldyrev, Sergei I.; Risko, Chad; Brédas, Jean-Luc

2006-07-01

We have generalized the Hush equations developed for the analysis of intervalence charge-transfer bands by including into the model the interaction with symmetric vibrations. Our results indicate that in symmetric class-II systems the maximum of the intervalence charge-transfer band is equal to the reorganization energy λ related to the antisymmetric vibrations as is the case in the conventional Hush model. In contrast, the corresponding transition dipole moment and the activation barrier for thermal electron transfer, in addition to their dependence on λ, also depend on the reorganization energy L related to symmetric vibrational modes. We show that the interaction with symmetric vibrational modes reduces the activation barrier and that the thermal electron-transfer rates derived on the basis of a Hush-type analysis of the optical data are generally underestimated.

An enzymatically-sensitized sequential and concentric energy transfer relay self-assembled around semiconductor quantum dots

NASA Astrophysics Data System (ADS)

Samanta, Anirban; Walper, Scott A.; Susumu, Kimihiro; Dwyer, Chris L.; Medintz, Igor L.

2015-04-01

The ability to control light energy within de novo nanoscale structures and devices will greatly benefit their continuing development and ultimate application. Ideally, this control should extend from generating the light itself to its spatial propagation within the device along with providing defined emission wavelength(s), all in a stand-alone modality. Here we design and characterize macromolecular nanoassemblies consisting of semiconductor quantum dots (QDs), several differentially dye-labeled peptides and the enzyme luciferase which cumulatively demonstrate many of these capabilities by engaging in multiple-sequential energy transfer steps. To create these structures, recombinantly-expressed luciferase and the dye-labeled peptides were appended with a terminal polyhistidine sequence allowing for controlled ratiometric self-assembly around the QDs via metal-affinity coordination. The QDs serve to provide multiple roles in these structures including as central assembly platforms or nanoscaffolds along with acting as a potent energy harvesting and transfer relay. The devices are activated by addition of coelenterazine H substrate which is oxidized by luciferase producing light energy which sensitizes the central 625 nm emitting QD acceptor by bioluminescence resonance energy transfer (BRET). The sensitized QD, in turn, acts as a relay and transfers the energy to a first peptide-labeled Alexa Fluor 647 acceptor dye displayed on its surface. This dye then transfers energy to a second red-shifted peptide-labeled dye acceptor on the QD surface through a second concentric Förster resonance energy transfer (FRET) process. Alexa Fluor 700 and Cy5.5 are both tested in the role of this terminal FRET acceptor. Photophysical analysis of spectral profiles from the resulting sequential BRET-FRET-FRET processes allow us to estimate the efficiency of each of the transfer steps. Importantly, the efficiency of each step within this energy transfer cascade can be controlled to some extent by the number of enzymes/peptides displayed on the QD. Further optimization of the energy transfer process(es) along with potential applications of such devices are finally discussed.The ability to control light energy within de novo nanoscale structures and devices will greatly benefit their continuing development and ultimate application. Ideally, this control should extend from generating the light itself to its spatial propagation within the device along with providing defined emission wavelength(s), all in a stand-alone modality. Here we design and characterize macromolecular nanoassemblies consisting of semiconductor quantum dots (QDs), several differentially dye-labeled peptides and the enzyme luciferase which cumulatively demonstrate many of these capabilities by engaging in multiple-sequential energy transfer steps. To create these structures, recombinantly-expressed luciferase and the dye-labeled peptides were appended with a terminal polyhistidine sequence allowing for controlled ratiometric self-assembly around the QDs via metal-affinity coordination. The QDs serve to provide multiple roles in these structures including as central assembly platforms or nanoscaffolds along with acting as a potent energy harvesting and transfer relay. The devices are activated by addition of coelenterazine H substrate which is oxidized by luciferase producing light energy which sensitizes the central 625 nm emitting QD acceptor by bioluminescence resonance energy transfer (BRET). The sensitized QD, in turn, acts as a relay and transfers the energy to a first peptide-labeled Alexa Fluor 647 acceptor dye displayed on its surface. This dye then transfers energy to a second red-shifted peptide-labeled dye acceptor on the QD surface through a second concentric Förster resonance energy transfer (FRET) process. Alexa Fluor 700 and Cy5.5 are both tested in the role of this terminal FRET acceptor. Photophysical analysis of spectral profiles from the resulting sequential BRET-FRET-FRET processes allow us to estimate the efficiency of each of the transfer steps. Importantly, the efficiency of each step within this energy transfer cascade can be controlled to some extent by the number of enzymes/peptides displayed on the QD. Further optimization of the energy transfer process(es) along with potential applications of such devices are finally discussed. Electronic supplementary information (ESI) available: This material includes control experimental data and select deconvoluted spectra. See DOI: 10.1039/c5nr00828j

Studies on the interaction between 7-(dimethyl amino)-4-(trifluoromethyl)-2H-1-benzopyran-2-one and cadmium sulfide quantum dots

NASA Astrophysics Data System (ADS)

Kuriakose, Alina C.; Pradeep, C.; Nampoori, V. P. N.; Thomas, Sheenu

2018-04-01

Quantum dots (QDs) are well known for their optical properties which differ from those of bulk semiconductors. Herein, we have created an energy transfer platform that combines CdS QDs with a coumarin based dye C485 [7-(dimethyl amino)-4-(trifluoromethyl)-2H-1-benzopyran-2-one]. Spectroscopic studies of energy transfer between the dye donor and CdS QDs as acceptors reveal the occurrence of dynamic quenching. Analysis of the steady-state and time resolved fluorescence measurements of C485 in the presence of CdS QDs infers fluorescence resonance (Förster type) energy transfer (FRET) as responsible for the quenching phenomena. The energy transfer efficiency as well as energy transfer distance for the donor-acceptor pair is calculated using steady-state fluorescence method. Luminescence enhancement of CdS QDs play a critical role in device performance for solar applications and also in the field of biological applications.

Dynamics of pulsed expansion of polyatomic gas cloud: Internal-translational energy transfer contribution

NASA Astrophysics Data System (ADS)

Morozov, A. A.

2007-08-01

Polyatomic gas cloud expansion under pulsed laser evaporation is studied on the basis of one-dimensional direct Monte Carlo simulation. The effect of rotational-translational (RT) and vibrational-translational (VT) energy transfer on dynamics of the cloud expansion is considered. Efficiency of VT energy transfer dependence on the amount of evaporated matter is discussed. To analyze VT energy transfer impact, the number of collisions per molecule during the expansion is calculated. The data are generally in good agreement with available analytical and numerical predictions. Dependencies of the effective number of vibrational degrees of freedom on the number of vibrationally inelastic collisions are obtained and generalized. The importance of the consideration of energy transfer from the internal degrees of freedom to the translational ones is illustrated by an example of pulsed laser evaporation of polytetrafluoroethylene (PTFE). Based on the obtained regularities, analysis of experimental data on pulsed laser evaporation of aniline is performed. The calculated aniline vibrational temperature correlates well with the experimentally measured one.

Predictive performance modeling framework for a novel enclosed particle receiver configuration and application for thermochemical energy storage

DOE PAGES

Martinek, Janna; Wendelin, Timothy; Ma, Zhiwen

2018-04-05

Concentrating solar power (CSP) plants can provide dispatchable power with a thermal energy storage capability for increased renewable-energy grid penetration. Particle-based CSP systems permit higher temperatures, and thus, potentially higher solar-to-electric efficiency than state-of-the-art molten-salt heat-transfer systems. This paper describes a detailed numerical analysis framework for estimating the performance of a novel, geometrically complex, enclosed particle receiver design. The receiver configuration uses arrays of small tubular absorbers to collect and subsequently transfer solar energy to a flowing particulate medium. The enclosed nature of the receiver design renders it amenable to either an inert heat-transfer medium, or a reactive heat-transfer medium that requires a controllable ambient environment. The numerical analysis framework described in this study is demonstrated for the case of thermal reduction of CaCr 0.1Mn 0.9O 3-more » $$\\delta$$ for thermochemical energy storage. The modeling strategy consists of Monte Carlo ray tracing for absorbed solar-energy distributions from a surround heliostat field, computational fluid dynamics modeling of small-scale local tubular arrays, surrogate response surfaces that approximately capture simulated tubular array performance, a quasi-two-dimensional reduced-order description of counter-flow reactive solids and purge gas, and a radiative exchange model applied to embedded-cavity structures at the size scale of the full receiver. In this work we apply the numerical analysis strategy to a single receiver configuration, but the framework can be generically applicable to alternative enclosed designs. In conclusion, we assess sensitivity of receiver performance to surface optical properties, heat-transfer coefficients, solids outlet temperature, and purge-gas feed rates, and discuss the significance of model assumptions and results for future receiver development.« less

Predictive performance modeling framework for a novel enclosed particle receiver configuration and application for thermochemical energy storage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martinek, Janna; Wendelin, Timothy; Ma, Zhiwen

Concentrating solar power (CSP) plants can provide dispatchable power with a thermal energy storage capability for increased renewable-energy grid penetration. Particle-based CSP systems permit higher temperatures, and thus, potentially higher solar-to-electric efficiency than state-of-the-art molten-salt heat-transfer systems. This paper describes a detailed numerical analysis framework for estimating the performance of a novel, geometrically complex, enclosed particle receiver design. The receiver configuration uses arrays of small tubular absorbers to collect and subsequently transfer solar energy to a flowing particulate medium. The enclosed nature of the receiver design renders it amenable to either an inert heat-transfer medium, or a reactive heat-transfer medium that requires a controllable ambient environment. The numerical analysis framework described in this study is demonstrated for the case of thermal reduction of CaCr 0.1Mn 0.9O 3-more » $$\\delta$$ for thermochemical energy storage. The modeling strategy consists of Monte Carlo ray tracing for absorbed solar-energy distributions from a surround heliostat field, computational fluid dynamics modeling of small-scale local tubular arrays, surrogate response surfaces that approximately capture simulated tubular array performance, a quasi-two-dimensional reduced-order description of counter-flow reactive solids and purge gas, and a radiative exchange model applied to embedded-cavity structures at the size scale of the full receiver. In this work we apply the numerical analysis strategy to a single receiver configuration, but the framework can be generically applicable to alternative enclosed designs. In conclusion, we assess sensitivity of receiver performance to surface optical properties, heat-transfer coefficients, solids outlet temperature, and purge-gas feed rates, and discuss the significance of model assumptions and results for future receiver development.« less

Low energy e-Ar momentum transfer cross-section

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brennan, M.J.

1992-12-01

Recent work has shown that solutions of the Boltzmann equation which use the so called {open_quotes}two-term{close_quotes} approximation provide an inadequate description of the transverse diffusion of electrons in argon gas at low values of E/N, contrary to earlier evidence. Previous determinations of the momentum transfer cross section for argon from the analysis of transport data have used two-term codes in good faith. Progress towards the determination of a new cross section in the energy range O - 4 eV, including an analysis of the energy dependence of the uncertainty in the derived cross section is reported.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alfonso Hernandez, Laura; Nelson, Tammie Renee; Gelin, Maxim F.

The interchromophoric energy-transfer pathways between weakly coupled units in a π-conjugated phenylene–ethynylene macrocycle and its half-ring analogue have been investigated using the nonadiabatic excited-state molecular dynamics approach. To track the flow of electronic transition density between macrocycle units, we formulate a transition density flux analysis adapted from the statistical minimum flow method previously developed to investigate vibrational energy flow. Following photoexcitation, transition density is primarily delocalized on two chromophore units and the system undergoes ultrafast energy transfer, creating a localized excited state on a single unit. In the macrocycle, distinct chromophore units donate transition density to a single acceptor unitmore » but do not interchange transition density among each other. We find that energy transfer in the macrocycle is slower than in the corresponding half ring because of the presence of multiple interfering energy-transfer pathways. Finally, simulation results are validated by modeling the fluorescence anisotropy decay.« less

Nonlinear network model analysis of vibrational energy transfer and localisation in the Fenna-Matthews-Olson complex

NASA Astrophysics Data System (ADS)

Morgan, Sarah E.; Cole, Daniel J.; Chin, Alex W.

2016-11-01

Collective protein modes are expected to be important for facilitating energy transfer in the Fenna-Matthews-Olson (FMO) complex of photosynthetic green sulphur bacteria, however to date little work has focussed on the microscopic details of these vibrations. The nonlinear network model (NNM) provides a computationally inexpensive approach to studying vibrational modes at the microscopic level in large protein structures, whilst incorporating anharmonicity in the inter-residue interactions which can influence protein dynamics. We apply the NNM to the entire trimeric FMO complex and find evidence for the existence of nonlinear discrete breather modes. These modes tend to transfer energy to the highly connected core pigments, potentially opening up alternative excitation energy transfer routes through their influence on pigment properties. Incorporating localised modes based on these discrete breathers in the optical spectra calculations for FMO using ab initio site energies and excitonic couplings can substantially improve their agreement with experimental results.

Analysis of influence mechanism of energy-related carbon emissions in Guangdong: evidence from regional China based on the input-output and structural decomposition analysis.

PubMed

Wang, Changjian; Wang, Fei; Zhang, Xinlin; Deng, Haijun

2017-11-01

It is important to analyze the influence mechanism of energy-related carbon emissions from a regional perspective to effectively achieve reductions in energy consumption and carbon emissions in China. Based on the "energy-economy-carbon emissions" hybrid input-output analysis framework, this study conducted structural decomposition analysis (SDA) on carbon emissions influencing factors in Guangdong Province. Systems-based examination of direct and indirect drivers for regional emission is presented. (1) Direct effects analysis of influencing factors indicated that the main driving factors of increasing carbon emissions were economic and population growth. Carbon emission intensity was the main contributing factor restraining carbon emissions growth. (2) Indirect effects analysis of influencing factors showed that international and interprovincial trades significantly affected the total carbon emissions. (3) Analysis of the effects of different final demands on the carbon emissions of industrial sector indicated that the increase in carbon emission arising from international and interprovincial trades is mainly concentrated in energy- and carbon-intensive industries. (4) Guangdong had to compromise a certain amount of carbon emissions during the development of its export-oriented economy because of industry transfer arising from the economic globalization, thereby pointing to the existence of the "carbon leakage" problem. At the same time, interprovincial export and import resulted in Guangdong transferring a part of its carbon emissions to other provinces, thereby leading to the occurrence of "carbon transfer."

Bridge-mediated hopping or superexchange electron-transfer processes in bis(triarylamine) systems

NASA Astrophysics Data System (ADS)

Lambert, Christoph; Nöll, Gilbert; Schelter, Jürgen

2002-09-01

Hopping and superexchange are generally considered to be alternative electron-transfer mechanisms in molecular systems. In this work we used mixed-valence radical cations as model systems for the investigation of electron-transfer pathways. We show that substituents attached to a conjugated bridge connecting two triarylamine redox centres have a marked influence on the near-infrared absorption spectra of the corresponding cations. Spectral analysis, followed by evaluation of the electron-transfer parameters using the Generalized Mulliken-Hush theory and simulation of the potential energy surfaces, indicate that hopping and superexchange are not alternatives, but are both present in the radical cation with a dimethoxybenzene bridge. We found that the type of electron-transfer mechanism depends on the bridge-reorganization energy as well as on the bridge-state energy. Because superexchange and hopping follow different distance laws, our findings have implications for the design of new molecular and polymeric electron-transfer materials.

Theoretical analysis of co-solvent effect on the proton transfer reaction of glycine in a water-acetonitrile mixture

NASA Astrophysics Data System (ADS)

Kasai, Yukako; Yoshida, Norio; Nakano, Haruyuki

2015-05-01

The co-solvent effect on the proton transfer reaction of glycine in a water-acetonitrile mixture was examined using the reference interaction-site model self-consistent field theory. The free energy profiles of the proton transfer reaction of glycine between the carboxyl oxygen and amino nitrogen were computed in a water-acetonitrile mixture solvent at various molar fractions. Two types of reactions, the intramolecular proton transfer and water-mediated proton transfer, were considered. In both types of the reactions, a similar tendency was observed. In the pure water solvent, the zwitterionic form, where the carboxyl oxygen is deprotonated while the amino nitrogen is protonated, is more stable than the neutral form. The reaction free energy is -10.6 kcal mol-1. On the other hand, in the pure acetonitrile solvent, glycine takes only the neutral form. The reaction free energy from the neutral to zwitterionic form gradually increases with increasing acetonitrile concentration, and in an equally mixed solvent, the zwitterionic and neutral forms are almost isoenergetic, with a difference of only 0.3 kcal mol-1. The free energy component analysis based on the thermodynamic cycle of the reaction also revealed that the free energy change of the neutral form is insensitive to the change of solvent environment but the zwitterionic form shows drastic changes. In particular, the excess chemical potential, one of the components of the solvation free energy, is dominant and contributes to the stabilization of the zwitterionic form.

Gyrokinetic turbulence: between idealized estimates and a detailed analysis of nonlinear energy transfers

NASA Astrophysics Data System (ADS)

Teaca, Bogdan; Jenko, Frank; Told, Daniel

2017-04-01

Using large resolution numerical simulations of gyrokinetic (GK) turbulence, spanning an interval ranging from the end of the fluid scales to the electron gyroradius, we study the energy transfers in the perpendicular direction for a proton-electron plasma in a slab equilibrium magnetic geometry. The plasma parameters employed here are relevant to kinetic Alfvén wave turbulence in solar wind conditions. In addition, we use an idealized test representation for the energy transfers between two scales, to aid our understanding of the diagnostics applicable to the nonlinear cascade in an infinite inertial range. For GK turbulence, a detailed analysis of nonlinear energy transfers that account for the separation of energy exchanging scales is performed. Starting from the study of the energy cascade and the scale locality problem, we show that the general nonlocal nature of GK turbulence, captured via locality functions, contains a subset of interactions that are deemed local, are scale invariant (i.e. a sign of asymptotic locality) and possess a locality exponent that can be recovered directly from measurements on the energy cascade. It is the first time that GK turbulence is shown to possess an asymptotic local component, even if the overall locality of interactions is nonlocal. The results presented here and their implications are discussed from the perspective of previous findings reported in the literature and the idea of universality of GK turbulence.

Compendium of Methods for Applying Measured Data to Vibration and Acoustic Problems

DTIC Science & Technology

1985-10-01

statistical energy analysis , finite element models, transfer function...Procedures for the Modal Analysis Method .............................................. 8-22 8.4 Summary of the Procedures for the Statistical Energy Analysis Method... statistical energy analysis . 8-1 • o + . . i... "_+,A" L + "+..• •+A ’! i, + +.+ +• o.+ -ore -+. • -..- , .%..% ". • 2 -".-2- ;.-.’, . o . It is helpful

Neutron transfer in the C 13 + Au 197 reaction from gold isotope residuals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Daub, B. H.; Bleuel, D. L.; Wiedeking, M.

Residual gold nuclei were produced in this paper via neutron transfer at multiple energies using a 130-MeV 13C beam incident on a stacked-foil target consisting of alternating layers of 197Au and 27Al. Production cross sections, over an energy range of 56 to 129 MeV, for seven gold isotopes and two gold isomers were determined through activation analysis. By using the Wilczynski binary transfer model with a modified version of the recoil formula and a standard evaporation model, we were able to reproduce the isotopic production cross sections at high beam energy, with some disagreement at lower beam energies. Finally, thismore » limiting angular momentum model does not predict the transfer of sufficient angular momentum to reproduce the observed isomeric populations.« less

Neutron transfer in the C 13 + Au 197 reaction from gold isotope residuals

DOE PAGES

Daub, B. H.; Bleuel, D. L.; Wiedeking, M.; ...

2017-08-01

Residual gold nuclei were produced in this paper via neutron transfer at multiple energies using a 130-MeV 13C beam incident on a stacked-foil target consisting of alternating layers of 197Au and 27Al. Production cross sections, over an energy range of 56 to 129 MeV, for seven gold isotopes and two gold isomers were determined through activation analysis. By using the Wilczynski binary transfer model with a modified version of the recoil formula and a standard evaporation model, we were able to reproduce the isotopic production cross sections at high beam energy, with some disagreement at lower beam energies. Finally, thismore » limiting angular momentum model does not predict the transfer of sufficient angular momentum to reproduce the observed isomeric populations.« less

[Modeling and analysis of volume conduction based on field-circuit coupling].

PubMed

Tang, Zhide; Liu, Hailong; Xie, Xiaohui; Chen, Xiufa; Hou, Deming

2012-08-01

Numerical simulations of volume conduction can be used to analyze the process of energy transfer and explore the effects of some physical factors on energy transfer efficiency. We analyzed the 3D quasi-static electric field by the finite element method, and developed A 3D coupled field-circuit model of volume conduction basing on the coupling between the circuit and the electric field. The model includes a circuit simulation of the volume conduction to provide direct theoretical guidance for energy transfer optimization design. A field-circuit coupling model with circular cylinder electrodes was established on the platform of the software FEM3.5. Based on this, the effects of electrode cross section area, electrode distance and circuit parameters on the performance of volume conduction system were obtained, which provided a basis for optimized design of energy transfer efficiency.

Pathways of energy transfer in LHCII revealed by room-temperature 2D electronic spectroscopy.

PubMed

Wells, Kym L; Lambrev, Petar H; Zhang, Zhengyang; Garab, Gyözö; Tan, Howe-Siang

2014-06-21

We present here the first room-temperature 2D electronic spectroscopy study of energy transfer in the plant light-harvesting complex II, LHCII. Two-dimensional electronic spectroscopy has been used to study energy transfer dynamics in LHCII trimers from the chlorophyll b Qy band to the chlorophyll a Qy band. Observing cross-peak regions corresponding to couplings between different excitonic states reveals partially resolved fine structure at the exciton level that cannot be isolated by pump-probe or linear spectroscopy measurements alone. Global analysis of the data has been performed to identify the pathways and time constants of energy transfer. The measured waiting time (Tw) dependent 2D spectra are found to be composed of 2D decay-associated spectra with three timescales (0.3 ps, 2.3 ps and >20 ps). Direct and multistep cascading pathways from the high-energy chlorophyll b states to the lowest-energy chlorophyll a states have been resolved occurring on time scales of hundreds of femtoseconds to picoseconds.

ENERGY TRANSFERS IN THREE-FREQUENCY CIRCUITS WITH MAGNETIC COUPLING,

DTIC Science & Technology

core are studied. Rules are given to determine the type of nonlinear characteristic needed to make energy transfers possible for given frequency...combinations. General energy relations of the Manley Rowe type are discussed, examining the validity and limitations of these relations for the practical...case where the frequency ratios are not irrational. Examples of the use of the analysis are given for oscillators, subringers and amplifiers with a variety of frequency ratios. (Author)

Jason Woods | NREL

Science.gov Websites

doctoral student since 2007. Jason's area of expertise is heat and mass transfer, including the design , analysis, and testing of heat and mass transfer devices and processes. Research Interests Membrane Thermal energy storage Heat and mass transfer enhancements Combined cooling, heat, and power (CCHP

Unveiling the excited state energy transfer pathways in peridinin-chlorophyll a-protein by ultrafast multi-pulse transient absorption spectroscopy.

PubMed

Redeckas, Kipras; Voiciuk, Vladislava; Zigmantas, Donatas; Hiller, Roger G; Vengris, Mikas

2017-04-01

Time-resolved multi-pulse methods were applied to investigate the excited state dynamics, the interstate couplings, and the excited state energy transfer pathways between the light-harvesting pigments in peridinin-chlorophyll a-protein (PCP). The utilized pump-dump-probe techniques are based on perturbation of the regular PCP energy transfer pathway. The PCP complexes were initially excited with an ultrashort pulse, resonant to the S 0 →S 2 transition of the carotenoid peridinin. A portion of the peridinin-based emissive intramolecular charge transfer (ICT) state was then depopulated by applying an ultrashort NIR pulse that perturbed the interaction between S 1 and ICT states and the energy flow from the carotenoids to the chlorophylls. The presented data indicate that the peridinin S 1 and ICT states are spectrally distinct and coexist in an excited state equilibrium in the PCP complex. Moreover, numeric analysis of the experimental data asserts ICT→Chl-a as the main energy transfer pathway in the photoexcited PCP systems. Copyright © 2017 Elsevier B.V. All rights reserved.

Hotspot-mediated non-dissipative and ultrafast plasmon passage

NASA Astrophysics Data System (ADS)

Roller, Eva-Maria; Besteiro, Lucas V.; Pupp, Claudia; Khorashad, Larousse Khosravi; Govorov, Alexander O.; Liedl, Tim

2017-08-01

Plasmonic nanoparticles hold great promise as photon handling elements and as channels for coherent transfer of energy and information in future all-optical computing devices. Coherent energy oscillations between two spatially separated plasmonic entities via a virtual middle state exemplify electron-based population transfer, but their realization requires precise nanoscale positioning of heterogeneous particles. Here, we show the assembly and optical analysis of a triple-particle system consisting of two gold nanoparticles with an inter-spaced silver island. We observe strong plasmonic coupling between the spatially separated gold particles, mediated by the connecting silver particle, with almost no dissipation of energy. As the excitation energy of the silver island exceeds that of the gold particles, only quasi-occupation of the silver transfer channel is possible. We describe this effect both with exact classical electrodynamic modelling and qualitative quantum-mechanical calculations. We identify the formation of strong hotspots between all particles as the main mechanism for the lossless coupling and thus coherent ultrafast energy transfer between the remote partners. Our findings could prove useful for quantum gate operations, as well as for classical charge and information transfer processes.

Low-energy transfers to cislunar periodic orbits visiting triangular libration points

NASA Astrophysics Data System (ADS)

Lei, Hanlun; Xu, Bo

2018-01-01

This paper investigates the cislunar periodic orbits that pass through triangular libration points of the Earth-Moon system and studies the techniques on design low-energy transfer trajectories. In order to compute periodic orbits, families of impulsive transfers between triangular libration points are taken to generate the initial guesses of periodic orbits, and multiple shooting techniques are applied to solving the problem. Then, varieties of periodic orbits in cislunar space are obtained, and stability analysis shows that the majority of them are unstable. Among these periodic orbits, an unstable periodic orbit in near 3:2 resonance with the Moon is taken as the nominal orbit of an assumed mission. As the stable manifolds of the target orbit could approach the Moon, low-energy transfer trajectories can be designed by combining lunar gravity assist with the invariant manifold structure of the target orbit. In practice, both the natural and perturbed invariant manifolds are considered to obtain the low-energy transfers, which are further refined to the Sun-perturbed Earth-Moon system. Results indicate that (a) compared to the case of natural invariant manifolds, the optimal transfers using perturbed invariant manifolds could reduce flight time at least 50 days, (b) compared to the cheapest direct transfer, the optimal low-energy transfer obtained by combining lunar gravity assist and invariant manifolds could save on-board fuel consumption more than 200 m/s, and (c) by taking advantage of the gravitational perturbation of the Sun, the low-energy transfers could save more fuel consumption than the corresponding ones obtained in the Earth-Moon system.

Nature and potency interactions of the hydrogen bond through the NBO analysis for charge transfer complex between 2-amino-4-hydroxy-6-methylpyrimidine and 2,3-pyrazinedicarboxylic acid

NASA Astrophysics Data System (ADS)

Faizan, Mohd; Afroz, Ziya; Alam, Mohammad Jane; Bhat, Sheeraz Ahmad; Ahmad, Shabbir; Ahmad, Afaq

2018-05-01

The intermolecular interactions in complex formation between 2-amino-4-hydroxy-6-methylpyrimidine (AHMP) and 2,3-pyrazinedicarboxylicacid (PDCA) have been explored using density functional theory calculations. The isolated 1:1 molecular geometry of proton transfer (PT) complex between AHMP and PDCA has been optimized on a counterpoise corrected potential energy surface (PES) at DFT-B3LYP/6-31G(d,p) level of theory in the gaseous phase. Further, the formation of hydrogen bonded charge transfer (HBCT) complex between PDCA and AHMP has been also discussed. PT energy barrier between two extremes is calculated using potential energy surface (PES) scan by varying bond length. The intermolecular interactions have been analyzed from theoretical perspective of natural bond orbital (NBO) analysis. In addition, the interaction energy between molecular fragments involved in the complex formation has been also computed by counterpoise procedure at same level of theory.

Analysis of electron transfer processes across liquid/liquid interfaces: estimation of free energy of activation using diffuse boundary model.

PubMed

Harinipriya, S; Sangaranarayanan, M V

2006-01-31

The evaluation of the free energy of activation pertaining to the electron-transfer reactions occurring at liquid/liquid interfaces is carried out employing a diffuse boundary model. The interfacial solvation numbers are estimated using a lattice gas model under the quasichemical approximation. The standard reduction potentials of the redox couples, appropriate inner potential differences, dielectric permittivities, as well as the width of the interface are included in the analysis. The methodology is applied to the reaction between [Fe(CN)6](3-/4-) and [Lu(biphthalocyanine)](3+/4+) at water/1,2-dichloroethane interface. The rate-determining step is inferred from the estimated free energy of activation for the constituent processes. The results indicate that the solvent shielding effect and the desolvation of the reactants at the interface play a central role in dictating the free energy of activation. The heterogeneous electron-transfer rate constant is evaluated from the molar reaction volume and the frequency factor.

Performance characteristics of a thermal energy storage module - A transient PCM/forced convection conjugate analysis

NASA Technical Reports Server (NTRS)

Cao, Y.; Faghri, A.

1991-01-01

The performance of a thermal energy storage module is simulated numerically. The change of phase of the phase-change material (PCM) and the transient forced convective heat transfer for the transfer fluid with low Prandtl numbers are solved simultaneously as a conjugate problem. A parametric study and a system optimization are conducted. The numerical results show that module geometry is crucial to the design of a space-based thermal energy storage system.

Interacting scales and energy transfer in isotropic turbulence

NASA Technical Reports Server (NTRS)

Zhou, YE

1993-01-01

The dependence of the energy transfer process on the disparity of the interacting scales is investigated in the inertial and far-dissipation ranges of isotropic turbulence. The strategy for generating the simulated flow fields and the choice of a disparity parameter to characterize the scaling of the interactions is discussed. The inertial range is found to be dominated by relatively local interactions, in agreement with the Kolmogorov assumption. The far-dissipation is found to be dominated by relatively non-local interactions, supporting the classical notion that the far-dissipation range is slaved to the Kolmogorov scales. The measured energy transfer is compared with the classical models of Heisenberg, Obukhov, and the more detailed analysis of Tennekes and Lumley. The energy transfer statistics measured in the numerically simulated flows are found to be nearly self-similar for wave numbers in the inertial range. Using the self-similar form measured within the limited scale range of the simulation, an 'ideal' energy transfer function and the corresponding energy flux rate for an inertial range of infinite extent are constructed. From this flux rate, the Kolmogorov constant is calculated to be 1.5, in excellent agreement with experiments.

Energy transfer between surface-immobilized light-harvesting chlorophyll a/b complex (LHCII) studied by surface plasmon field-enhanced fluorescence spectroscopy (SPFS).

PubMed

Lauterbach, Rolf; Liu, Jing; Knoll, Wolfgang; Paulsen, Harald

2010-11-16

The major light-harvesting chlorophyll a/b complex (LHCII) of the photosynthetic apparatus in green plants can be viewed as a protein scaffold binding and positioning a large number of pigment molecules that combines rapid and efficient excitation energy transfer with effective protection of its pigments from photobleaching. These properties make LHCII potentially interesting as a light harvester (or a model thereof) in photoelectronic applications. Most of such applications would require the LHCII to be immobilized on a solid surface. In a previous study we showed the immobilization of recombinant LHCII on functionalized gold surfaces via a 6-histidine tag (His tag) in the protein moiety. In this work the occurrence and efficiency of Förster energy transfer between immobilized LHCII on a functionalized surface have been analyzed by surface plasmon field-enhanced fluorescence spectroscopy (SPFS). A near-infrared dye was attached to some but not all of the LHC complexes, serving as an energy acceptor to chlorophylls. Analysis of the energy transfer from chlorophylls to this acceptor dye yielded information about the extent of intercomplex energy transfer between immobilized LHCII.

Interaction-component analysis of the hydration and urea effects on cytochrome c

NASA Astrophysics Data System (ADS)

Yamamori, Yu; Ishizuka, Ryosuke; Karino, Yasuhito; Sakuraba, Shun; Matubayasi, Nobuyuki

2016-02-01

Energetics was analyzed for cytochrome c in pure-water solvent and in a urea-water mixed solvent to elucidate the solvation effect in the structural variation of the protein. The solvation free energy was computed through all-atom molecular dynamics simulation combined with the solution theory in the energy representation, and its correlations were examined over sets of protein structures against the electrostatic and van der Waals components in the average interaction energy of the protein with the solvent and the excluded-volume component in the solvation free energy. It was observed in pure-water solvent that the solvation free energy varies in parallel to the electrostatic component with minor roles played by the van der Waals and excluded-volume components. The effect of urea on protein structure was then investigated in terms of the free-energy change upon transfer of the protein solute from pure-water solvent to the urea-water mixed solvent. The decomposition of the transfer free energy into the contributions from urea and water showed that the urea contribution is partially canceled by the water contribution and governs the total free energy of transfer. When correlated against the change in the solute-solvent interaction energy upon transfer and the corresponding changes in the electrostatic, van der Waals, and excluded-volume components, the transfer free energy exhibited strong correlations with the total change in the solute-solvent energy and its van der Waals component. The solute-solvent energy was decomposed into the contributions from the protein backbone and side chain, furthermore, and neither of the contributions was seen to be decisive in the correlation to the transfer free energy.

Energy transfer efficiency from Cr(3+) to Nd(3+) in solar-pumped laser using transparent Nd/Cr:Y(3)Al(5)O(12) ceramics.

PubMed

Hasegawa, Kazuo; Ichikawa, Tadashi; Mizuno, Shintaro; Takeda, Yasuhiko; Ito, Hiroshi; Ikesue, Akio; Motohiro, Tomoyoshi; Yamaga, Mitsuo

2015-06-01

We report energy transfer efficiency from Cr³⁺ to Nd³⁺ in Nd (1.0 at.%)/Cr (0.4 at.%) co-doped Y₃Al₅O₁₂ (YAG) transparent ceramics in the laser oscillation states. The laser oscillation has performed using two pumping lasers operating at 808 nm and 561 nm; the former pumps Nd³⁺ directly to create the 1064 nm laser oscillation, whereas the latter assists the performance via Cr³⁺ absorption and sequential energy transfer to Nd³⁺. From the laser output power properties and laser mode analysis, the energy transfer efficiency was determined to be around 65%, which is close to that obtained from the spontaneous Nd³⁺ emission.

Spectroscopic analysis and efficient diode-pumped 2.0 μm emission in Ho3+/Tm3+ codoped fluoride glass

NASA Astrophysics Data System (ADS)

Tian, Ying; Jing, Xufeng; Xu, Shiqing

2013-11-01

Intense 2.0 μm emission has been obtained in Ho3+/Tm3+ codoped ZBLAY glass pumped by common laser diode. Three intensity parameters and radiative properties have been determined from the absorption spectrum based on the Judd-Ofelt theory. The 2 μm emission characteristics and the energy transfer mechanism upon excitation of a conventional 800 nm laser diode are investigated. Efficient Tm3+ to Ho3+ energy transfer processes have been observed in present glass and investigated using steady-state and time-resolved optical spectroscopy measurement. The energy transfer microscopic parameter has been calculated with the Inokuti-Hirayama and Förster-Dexter models. High quantum efficiency of 2 μm emission (80.35%) and large energy transfer coefficient from Tm3+ to Ho3+ indicates this Ho3+/Tm3+ codoped ZBLAY glass is a promising material for 2.0 μm laser.

Theoretical analysis of co-solvent effect on the proton transfer reaction of glycine in a water–acetonitrile mixture

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kasai, Yukako; Yoshida, Norio, E-mail: noriwo@chem.kyushu-univ.jp; Nakano, Haruyuki

2015-05-28

The co-solvent effect on the proton transfer reaction of glycine in a water–acetonitrile mixture was examined using the reference interaction-site model self-consistent field theory. The free energy profiles of the proton transfer reaction of glycine between the carboxyl oxygen and amino nitrogen were computed in a water–acetonitrile mixture solvent at various molar fractions. Two types of reactions, the intramolecular proton transfer and water-mediated proton transfer, were considered. In both types of the reactions, a similar tendency was observed. In the pure water solvent, the zwitterionic form, where the carboxyl oxygen is deprotonated while the amino nitrogen is protonated, is moremore » stable than the neutral form. The reaction free energy is −10.6 kcal mol{sup −1}. On the other hand, in the pure acetonitrile solvent, glycine takes only the neutral form. The reaction free energy from the neutral to zwitterionic form gradually increases with increasing acetonitrile concentration, and in an equally mixed solvent, the zwitterionic and neutral forms are almost isoenergetic, with a difference of only 0.3 kcal mol{sup −1}. The free energy component analysis based on the thermodynamic cycle of the reaction also revealed that the free energy change of the neutral form is insensitive to the change of solvent environment but the zwitterionic form shows drastic changes. In particular, the excess chemical potential, one of the components of the solvation free energy, is dominant and contributes to the stabilization of the zwitterionic form.« less

Quantum chemical characterization of N-(2-hydroxybenzylidene)acetohydrazide (HBAH): a detailed vibrational and NLO analysis.

PubMed

Tamer, Ömer; Avcı, Davut; Atalay, Yusuf

2014-01-03

The molecular modeling of N-(2-hydroxybenzylidene)acetohydrazide (HBAH) was carried out using B3LYP, CAMB3LYP and PBE1PBE levels of density functional theory (DFT). The molecular structure of HBAH was solved by means of IR, NMR and UV-vis spectroscopies. In order to find the stable conformers, conformational analysis was performed based on B3LYP level. A detailed vibrational analysis was made on the basis of potential energy distribution (PED). HOMO and LUMO energies were calculated, and the obtained energies displayed that charge transfer occurs in HBAH. NLO analysis indicated that HBAH can be used as an effective NLO material. NBO analysis also proved that charge transfer, conjugative interactions and intramolecular hydrogen bonding interactions occur through HBAH. Additionally, major contributions from molecular orbitals to the electronic transitions were investigated theoretically. Copyright © 2013 Elsevier B.V. All rights reserved.

Inner reorganization limiting electron transfer controlled hydrogen bonding: intra- vs. intermolecular effects.

PubMed

Martínez-González, Eduardo; Frontana, Carlos

2014-05-07

In this work, experimental evidence of the influence of the electron transfer kinetics during electron transfer controlled hydrogen bonding between anion radicals of metronidazole and ornidazole, derivatives of 5-nitro-imidazole, and 1,3-diethylurea as the hydrogen bond donor, is presented. Analysis of the variations of voltammetric EpIcvs. log KB[DH], where KB is the binding constant, allowed us to determine the values of the binding constant and also the electron transfer rate k, confirmed by experiments obtained at different scan rates. Electronic structure calculations at the BHandHLYP/6-311++G(2d,2p) level for metronidazole, including the solvent effect by the Cramer/Truhlar model, suggested that the minimum energy conformer is stabilized by intramolecular hydrogen bonding. In this structure, the inner reorganization energy, λi,j, contributes significantly (0.5 eV) to the total reorganization energy of electron transfer, thus leading to a diminishment of the experimental k.

An in vitro FRET-based assay for the analysis of SUMO conjugation and isopeptidase cleavage.

PubMed

Stankovic-Valentin, Nicolas; Kozaczkiewicz, Lukasz; Curth, Katja; Melchior, Frauke

2009-01-01

To measure rates of sumoylation and isopeptidase cleavage in vitro, we developed an enzyme assay that is based on fluorescence resonance energy transfer (FRET). FRET is a process by which the excited state energy of a fluorescent donor molecule is transferred to an acceptor molecule. Efficient energy transfer requires very close proximity, and can therefore be used as a read-out for covalent and non-covalent protein interactions. The assay described here uses bacterially expressed and purified YFP-SUMO-1 and CFP-RanGAP1 as model substrates that are covalently coupled in the presence of recombinant SUMO E1 and E2 enzymes and ATP. Reactions of 25 microl volume, set up in 384-wells plates, give sufficient signal for analysis. Consequently, this assay requires very low amounts of recombinant proteins and allows measurement of time courses in high-throughput format.

A new energy transfer model for turbulent free shear flow

NASA Technical Reports Server (NTRS)

Liou, William W.-W.

1992-01-01

A new model for the energy transfer mechanism in the large-scale turbulent kinetic energy equation is proposed. An estimate of the characteristic length scale of the energy containing large structures is obtained from the wavelength associated with the structures predicted by a weakly nonlinear analysis for turbulent free shear flows. With the inclusion of the proposed energy transfer model, the weakly nonlinear wave models for the turbulent large-scale structures are self-contained and are likely to be independent flow geometries. The model is tested against a plane mixing layer. Reasonably good agreement is achieved. Finally, it is shown by using the Liapunov function method, the balance between the production and the drainage of the kinetic energy of the turbulent large-scale structures is asymptotically stable as their amplitude saturates. The saturation of the wave amplitude provides an alternative indicator for flow self-similarity.

Energy distribution analysis in boosted HCCI-like / LTGC engines – Understanding the trade-offs to maximize the thermal efficiency

DOE PAGES

Dernotte, Jeremie; Dec, John E.; Ji, Chunsheng

2015-04-14

A detailed understanding of the various factors affecting the trends in gross-indicated thermal efficiency with changes in key operating parameters has been carried out, applied to a one-liter displacement single-cylinder boosted Low-Temperature Gasoline Combustion (LTGC) engine. This work systematically investigates how the supplied fuel energy splits into the following four energy pathways: gross-indicated thermal efficiency, combustion inefficiency, heat transfer and exhaust losses, and how this split changes with operating conditions. Additional analysis is performed to determine the influence of variations in the ratio of specific heat capacities (γ) and the effective expansion ratio, related to the combustion-phasing retard (CA50), onmore » the energy split. Heat transfer and exhaust losses are computed using multiple standard cycle analysis techniques. Furthermore, the various methods are evaluated in order to validate the trends.« less

Theoretical insights of proton transfer and hydrogen bonded charge transfer complex of 1,2-dimethylimidazolium-3,5-dinitrobenzoate crystal

NASA Astrophysics Data System (ADS)

Afroz, Ziya; Faizan, Mohd.; Alam, Mohammad Jane; Ahmad, Shabbir; Ahmad, Afaq

2018-04-01

Proton transfer (PT) and hydrogen bonded charge transfer (HBCT) 1:1 complex of 1,2-dimethylimidazole (DMI) and 3,5-dinitrobenzoic acid (DNBA) have been theoretically analyzed and compared with reported experimental results. Both the structures in the isolated gaseous state have been optimized at DFT/B3LYP/6-311G(d,p) level of theory and further, the PT energy barrier has been calculated from potential energy surface scan. Along with structural investigations, theoretical vibrational spectra have been inspected and compared with the FTIR spectrum. Moreover, frontier molecular analysis has also been carried out.

Fatal hand tool injuries in construction.

PubMed

Trent, R B; Wyant, W D

1990-08-01

Past research on occupational hand tool injuries has generally focused on nonfatal injuries. Most such injuries occur at the point where energy is transferred to the material being worked, eg, at the edge of a saw blade or the point of a drill. Assuming that hand tool injuries that are fatal will differ from nonfatal injuries, 62 Occupation Safety and Health Administration reports were analyzed. Four patterns emerged when the type of contact with energy was used to classify incidents. Fatal injuries occurred when (1) contact was made with energy that supplies power to the hand tool, (2) energy normally transferred to the material being worked is transferred to the worker, (3) workers or materials fall, and (4) potential energy is encountered in the work environment. Analysis showed that almost all such injuries could be prevented by application of existing safe work practices.

Energy and charge transfer dynamics between Alq3 and CdSeS nanocrystals.

PubMed

Zhang, Shuping; Liu, Yuqiang; Yang, Yanqiang

2010-03-01

The photoluminescence properties of the blend films consisting of organic small molecules and nanocrystals (NCs)--Alq3 and CdSeS NCs--were studied by steady-state and time-resolved photoluminescence (PL) spectroscopy with different excited wavelengths. Both the fluorescence intensity and lifetime are intensively dependent on the NC concentration. The detailed analysis of experiment data proves that Forster energy transfer from the Alq3 to the NCs exists simultaneously with the charge transfer and both compete with each other in the blend films.

Electronic energy transfer through non-adiabatic vibrational-electronic resonance. I. Theory for a dimer

NASA Astrophysics Data System (ADS)

Tiwari, Vivek; Peters, William K.; Jonas, David M.

2017-10-01

Non-adiabatic vibrational-electronic resonance in the excited electronic states of natural photosynthetic antennas drastically alters the adiabatic framework, in which electronic energy transfer has been conventionally studied, and suggests the possibility of exploiting non-adiabatic dynamics for directed energy transfer. Here, a generalized dimer model incorporates asymmetries between pigments, coupling to the environment, and the doubly excited state relevant for nonlinear spectroscopy. For this generalized dimer model, the vibrational tuning vector that drives energy transfer is derived and connected to decoherence between singly excited states. A correlation vector is connected to decoherence between the ground state and the doubly excited state. Optical decoherence between the ground and singly excited states involves linear combinations of the correlation and tuning vectors. Excitonic coupling modifies the tuning vector. The correlation and tuning vectors are not always orthogonal, and both can be asymmetric under pigment exchange, which affects energy transfer. For equal pigment vibrational frequencies, the nonadiabatic tuning vector becomes an anti-correlated delocalized linear combination of intramolecular vibrations of the two pigments, and the nonadiabatic energy transfer dynamics become separable. With exchange symmetry, the correlation and tuning vectors become delocalized intramolecular vibrations that are symmetric and antisymmetric under pigment exchange. Diabatic criteria for vibrational-excitonic resonance demonstrate that anti-correlated vibrations increase the range and speed of vibronically resonant energy transfer (the Golden Rule rate is a factor of 2 faster). A partial trace analysis shows that vibronic decoherence for a vibrational-excitonic resonance between two excitons is slower than their purely excitonic decoherence.

Electronic energy transfer through non-adiabatic vibrational-electronic resonance. I. Theory for a dimer.

PubMed

Tiwari, Vivek; Peters, William K; Jonas, David M

2017-10-21

Non-adiabatic vibrational-electronic resonance in the excited electronic states of natural photosynthetic antennas drastically alters the adiabatic framework, in which electronic energy transfer has been conventionally studied, and suggests the possibility of exploiting non-adiabatic dynamics for directed energy transfer. Here, a generalized dimer model incorporates asymmetries between pigments, coupling to the environment, and the doubly excited state relevant for nonlinear spectroscopy. For this generalized dimer model, the vibrational tuning vector that drives energy transfer is derived and connected to decoherence between singly excited states. A correlation vector is connected to decoherence between the ground state and the doubly excited state. Optical decoherence between the ground and singly excited states involves linear combinations of the correlation and tuning vectors. Excitonic coupling modifies the tuning vector. The correlation and tuning vectors are not always orthogonal, and both can be asymmetric under pigment exchange, which affects energy transfer. For equal pigment vibrational frequencies, the nonadiabatic tuning vector becomes an anti-correlated delocalized linear combination of intramolecular vibrations of the two pigments, and the nonadiabatic energy transfer dynamics become separable. With exchange symmetry, the correlation and tuning vectors become delocalized intramolecular vibrations that are symmetric and antisymmetric under pigment exchange. Diabatic criteria for vibrational-excitonic resonance demonstrate that anti-correlated vibrations increase the range and speed of vibronically resonant energy transfer (the Golden Rule rate is a factor of 2 faster). A partial trace analysis shows that vibronic decoherence for a vibrational-excitonic resonance between two excitons is slower than their purely excitonic decoherence.

2013 MOLECULAR ENERGY TRANSFER GORDON RESEARCH CONFERENCE (JANUARY 13-18, 2013 - VENTURA BEACH MARRIOTT, VENTURA CA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reid, Scott A.

2012-10-18

Sessions covered all areas of molecular energy transfer, with 10 sessions of talks and poster sessions covering the areas of :  Energy Transfer in Inelastic and Reactive Scattering  Energy Transfer in Photoinitiated and Unimolecular Reactions  Non-adiabatic Effects in Energy Transfer  Energy Transfer at Surfaces and Interfaces  Energy Transfer in Clusters, Droplets, and Aerosols  Energy Transfer in Solution and Solid  Energy Transfer in Complex Systems  Energy Transfer: New vistas and horizons  Molecular Energy Transfer: Where Have We Been and Where are We Going?

Efficient energy transfer in light-harvesting systems: Quantum-classical comparison, flux network, and robustness analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu Jianlan; Department of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, Massachusetts 02139; Liu Fan

2012-11-07

Following the calculation of optimal energy transfer in thermal environment in our first paper [J. L. Wu, F. Liu, Y. Shen, J. S. Cao, and R. J. Silbey, New J. Phys. 12, 105012 (2010)], full quantum dynamics and leading-order 'classical' hopping kinetics are compared in the seven-site Fenna-Matthews-Olson (FMO) protein complex. The difference between these two dynamic descriptions is due to higher-order quantum corrections. Two thermal bath models, classical white noise (the Haken-Strobl-Reineker (HSR) model) and quantum Debye model, are considered. In the seven-site FMO model, we observe that higher-order corrections lead to negligible changes in the trapping time ormore » in energy transfer efficiency around the optimal and physiological conditions (2% in the HSR model and 0.1% in the quantum Debye model for the initial site at BChl 1). However, using the concept of integrated flux, we can identify significant differences in branching probabilities of the energy transfer network between hopping kinetics and quantum dynamics (26% in the HSR model and 32% in the quantum Debye model for the initial site at BChl 1). This observation indicates that the quantum coherence can significantly change the distribution of energy transfer pathways in the flux network with the efficiency nearly the same. The quantum-classical comparison of the average trapping time with the removal of the bottleneck site, BChl 4, demonstrates the robustness of the efficient energy transfer by the mechanism of multi-site quantum coherence. To reconcile with the latest eight-site FMO model which is also investigated in the third paper [J. Moix, J. L. Wu, P. F. Huo, D. F. Coker, and J. S. Cao, J. Phys. Chem. Lett. 2, 3045 (2011)], the quantum-classical comparison with the flux network analysis is summarized in Appendix C. The eight-site FMO model yields similar trapping time and network structure as the seven-site FMO model but leads to a more disperse distribution of energy transfer pathways.« less

Ab Initio Analysis of Auger-Assisted Electron Transfer.

PubMed

Hyeon-Deuk, Kim; Kim, Joonghan; Prezhdo, Oleg V

2015-01-15

Quantum confinement in nanoscale materials allows Auger-type electron-hole energy exchange. We show by direct time-domain atomistic simulation and analytic theory that Auger processes give rise to a new mechanism of charge transfer (CT) on the nanoscale. Auger-assisted CT eliminates the renown Marcus inverted regime, rationalizing recent experiments on CT from quantum dots to molecular adsorbates. The ab initio simulation reveals a complex interplay of the electron-hole and charge-phonon channels of energy exchange, demonstrating a variety of CT scenarios. The developed Marcus rate theory for Auger-assisted CT describes, without adjustable parameters, the experimental plateau of the CT rate in the region of large donor-acceptor energy gap. The analytic theory and atomistic insights apply broadly to charge and energy transfer in nanoscale systems.

Resonant electronic excitation energy transfer by exchange mechanism in the quantum dot system

NASA Astrophysics Data System (ADS)

Chikalova-Luzina, O. P.; Samosvat, D. M.; Vyatkin, V. M.; Zegrya, G. G.

2017-11-01

A microscopic theory of nonradiative resonance energy transfer between spherical A3B5 semiconductor quantum dots by the exchange mechanism is suggested. The interdot Coulomb interaction is taken into consideration. It is assumed that the quantum dot-donor and the quantum dot-acceptor are made from the same A3B5 compound and are embedded in the matrix of another material that produces potential barriers for electrons and holes. The dependences of the energy transfer rate on the quantum-dot system parameters are found in the frame of the Kane model that provides the most adequate description of the real spectra of A3B5 semiconductors. The analytical treatment is carried out with using the density matrix method, which enabled us to perform an energy transfer analysis both in the weak-interaction approximation and in the strong-interaction approximation. The numerical calculations showed the saturation of the energy transfer rate at the distances between the donor and the acceptor approaching the contact one. The contributions of the exchange and direct Coulomb intractions can be of the same order at the small distances and can have the same value in the saturation range.

Hot spot-mediated non-dissipative and ultrafast plasmon passage.

PubMed

Roller, Eva-Maria; Besteiro, Lucas V; Pupp, Claudia; Khorashad, Larousse Khosravi; Govorov, Alexander O; Liedl, Tim

2017-08-01

Plasmonic nanoparticles hold great promise as photon handling elements and as channels for coherent transfer of energy and information in future all-optical computing devices.1-5 Coherent energy oscillations between two spatially separated plasmonic entities via a virtual middle state exemplify electron-based population transfer, but their realization requires precise nanoscale positioning of heterogeneous particles.6-10 Here, we show the assembly and optical analysis of a triple particle system consisting of two gold nanoparticles with an inter-spaced silver island. We observe strong plasmonic coupling between the spatially separated gold particles mediated by the connecting silver particle with almost no dissipation of energy. As the excitation energy of the silver island exceeds that of the gold particles, only quasi-occupation of the silver transfer channel is possible. We describe this effect both with exact classical electrodynamic modeling and qualitative quantum-mechanical calculations. We identify the formation of strong hot spots between all particles as the main mechanism for the loss-less coupling and thus coherent ultra-fast energy transfer between the remote partners. Our findings could prove useful for quantum gate operations, but also for classical charge and information transfer processes.

Sensitivity Analysis of Flux Determination in Heart by H2 18O -provided Labeling Using a Dynamic Isotopologue Model of Energy Transfer Pathways

PubMed Central

Schryer, David W.; Peterson, Pearu; Illaste, Ardo; Vendelin, Marko

2012-01-01

To characterize intracellular energy transfer in the heart, two organ-level methods have frequently been employed: inversion and saturation transfer, and dynamic labeling. Creatine kinase (CK) fluxes obtained by following oxygen labeling have been considerably smaller than the fluxes determined by saturation transfer. It has been proposed that dynamic labeling determines net flux through CK shuttle, whereas saturation transfer measures total unidirectional flux. However, to our knowledge, no sensitivity analysis of flux determination by oxygen labeling has been performed, limiting our ability to compare flux distributions predicted by different methods. Here we analyze oxygen labeling in a physiological heart phosphotransfer network with active CK and adenylate kinase (AdK) shuttles and establish which fluxes determine the labeling state. A mathematical model consisting of a system of ordinary differential equations was composed describing enrichment in each phosphoryl group and inorganic phosphate. By varying flux distributions in the model and calculating the labeling, we analyzed labeling sensitivity to different fluxes in the heart. We observed that the labeling state is predominantly sensitive to total unidirectional CK and AdK fluxes and not to net fluxes. We conclude that measuring dynamic incorporation of into the high-energy phosphotransfer network in heart does not permit unambiguous determination of energetic fluxes with a higher magnitude than the ATP synthase rate when the bidirectionality of fluxes is taken into account. Our analysis suggests that the flux distributions obtained using dynamic labeling, after removing the net flux assumption, are comparable with those from inversion and saturation transfer. PMID:23236266

Polaron effects on the performance of light-harvesting systems: a quantum heat engine perspective

NASA Astrophysics Data System (ADS)

Xu, Dazhi; Wang, Chen; Zhao, Yang; Cao, Jianshu

2016-02-01

We explore energy transfer in a generic three-level system, which is coupled to three non-equilibrium baths. Built on the concept of quantum heat engine, our three-level model describes non-equilibrium quantum processes including light-harvesting energy transfer, nano-scale heat transfer, photo-induced isomerization, and photovoltaics in double quantum-dots. In the context of light-harvesting, the excitation energy is first pumped up by sunlight, then is transferred via two excited states which are coupled to a phonon bath, and finally decays to the reaction center. The efficiency of this process is evaluated by steady state analysis via a polaron-transformed master equation; thus the entire range of the system-phonon coupling strength can be covered. We show that the coupling with the phonon bath not only modifies the steady state, resulting in population inversion, but also introduces a finite steady state coherence which optimizes the energy transfer flux and efficiency. In the strong coupling limit, the steady state coherence disappears and the efficiency recovers the heat engine limit given by Scovil and Schultz-Dubois (1959 Phys. Rev. Lett. 2 262).

Technical Assistance | NREL

Science.gov Websites

Multi-Wind Heat Smart Grid Project. Advancing Energy Solutions in Alaska NREL provides analysis mission to transfer knowledge and innovation to solve the nation's energy challenges. The goal of this transportation energy efficiency and reduce transportation energy costs State Technical Assistance-solar market

Analysis of intrinsic optical bistability in Tm-doped laser-related crystals

NASA Astrophysics Data System (ADS)

Noginov, M. A.; Vondrova, M.; Casimir, D.

2003-11-01

We predict and theoretically study intrinsic optical bistability (IOB) mediated by nonlinear energy transfer processes in rare-earth-doped laser-related crystals. In particular, we investigate Tm-Ho and Tm-Yb systems, in which avalanche pumping is overimposed by energy transfer up-conversion. We predict that IOB can be experimentally observed in (Tm,Yb):BaY2F8 crystals in a wide range of experimentally achievable parameters.

Gunshot energy transfer profile in ballistic gelatine, determined with computed tomography using the total crack length method.

PubMed

Bolliger, Stephan A; Thali, Michael J; Bolliger, Michael J; Kneubuehl, Beat P

2010-11-01

By measuring the total crack lengths (TCL) along a gunshot wound channel simulated in ordnance gelatine, one can calculate the energy transferred by a projectile to the surrounding tissue along its course. Visual quantitative TCL analysis of cut slices in ordnance gelatine blocks is unreliable due to the poor visibility of cracks and the likely introduction of secondary cracks resulting from slicing. Furthermore, gelatine TCL patterns are difficult to preserve because of the deterioration of the internal structures of gelatine with age and the tendency of gelatine to decompose. By contrast, using computed tomography (CT) software for TCL analysis in gelatine, cracks on 1-cm thick slices can be easily detected, measured and preserved. In this, experiment CT TCL analyses were applied to gunshots fired into gelatine blocks by three different ammunition types (9-mm Luger full metal jacket, .44 Remington Magnum semi-jacketed hollow point and 7.62 × 51 RWS Cone-Point). The resulting TCL curves reflected the three projectiles' capacity to transfer energy to the surrounding tissue very accurately and showed clearly the typical energy transfer differences. We believe that CT is a useful tool in evaluating gunshot wound profiles using the TCL method and is indeed superior to conventional methods applying physical slicing of the gelatine.

Wave energy transfer in elastic half-spaces with soft interlayers.

PubMed

Glushkov, Evgeny; Glushkova, Natalia; Fomenko, Sergey

2015-04-01

The paper deals with guided waves generated by a surface load in a coated elastic half-space. The analysis is based on the explicit integral and asymptotic expressions derived in terms of Green's matrix and given loads for both laminate and functionally graded substrates. To perform the energy analysis, explicit expressions for the time-averaged amount of energy transferred in the time-harmonic wave field by every excited guided or body wave through horizontal planes and lateral cylindrical surfaces have been also derived. The study is focused on the peculiarities of wave energy transmission in substrates with soft interlayers that serve as internal channels for the excited guided waves. The notable features of the source energy partitioning in such media are the domination of a single emerging mode in each consecutive frequency subrange and the appearance of reverse energy fluxes at certain frequencies. These effects as well as modal and spatial distribution of the wave energy coming from the source into the substructure are numerically analyzed and discussed.

Substituent and Solvent Effects on Excited State Charge Transfer Behavior of Highly Fluorescent Dyes Containing Thiophenylimidazole-Based Aldehydes

NASA Technical Reports Server (NTRS)

Santos, Javier; Bu, Xiu R.; Mintz, Eric A.

2001-01-01

The excited state charge transfer for a series of highly fluorescent dyes containing thiophenylimidazole moiety was investigated. These systems follow the Twisted Intramolecular Charge Transfer (TICT) model. Dual fluorescence was observed for each substituted dye. X-ray structures analysis reveals a twisted ground state geometry for the donor substituted aryl on the 4 and 5 position at the imidazole ring. The excited state charge transfer was modeled by a linear solvation energy relationship using Taft's pi and Dimroth's E(sub T)(30) as solvent parameters. There is linear relation between the energy of the fluorescence transition and solvent polarity. The degree of stabilization of the excited state charge transfer was found to be consistent with the intramolecular molecular charge transfer. Excited dipole moment was studied by utilizing the solvatochromic shift method.

Vibrational studies of Thyroxine hormone: Comparative study with quantum chemical calculations

NASA Astrophysics Data System (ADS)

Borah, Mukunda Madhab; Devi, Th. Gomti

2017-11-01

The FTIR and Raman techniques have been used to record spectra of Thyroxine. The stable geometrical parameters and vibrational wave numbers were calculated based on potential energy distribution (PED) using vibrational energy distribution analysis (VEDA) program. The vibrational energies are assigned to monomer, chain dimer and cyclic dimers of this molecule using the basis set B3LYP/LANL2DZ. The computational scaled frequencies are in good agreements with the experimental results. The study is extended to calculate the HOMO-LUMO energy gap, Molecular Electrostatic Potential (MEP) surface, hardness (η), chemical potential (μ), Global electrophilicity index (ω) and different thermo dynamical properties of Thyroxine in different states. The calculated HOMO-LUMO energies show the charge transfer occurs within the molecule. The calculated Natural bond orbital (NBO) analysis confirms the presence of intra-molecular charge transfer as well as the hydrogen bonding interaction.

Amplification of large scale magnetic fields in a decaying MHD system

NASA Astrophysics Data System (ADS)

Park, Kiwan

2017-10-01

Dynamo theory explains the amplification of magnetic fields in the conducting fluids (plasmas) driven by the continuous external energy. It is known that the nonhelical continuous kinetic or magnetic energy amplifies the small scale magnetic field; and the helical energy, the instability, or the shear with rotation effect amplifies the large scale magnetic field. However, recently it was reported that the decaying magnetic energy independent of helicity or instability could generate the large scale magnetic field. This phenomenon may look somewhat contradictory to the conventional dynamo theory. But it gives us some clues to the fundamental mechanism of energy transfer in the magnetized conducting fluids. It also implies that an ephemeral astrophysical event emitting the magnetic and kinetic energy can be a direct cause of the large scale magnetic field observed in space. As of now the exact physical mechanism is not yet understood in spite of several numerical results. The plasma motion coupled with a nearly conserved vector potential in the magnetohydrodynamic (MHD) system may transfer magnetic energy to the large scale. Also the intrinsic property of the scaling invariant MHD equation may decide the direction of energy transfer. In this paper we present the simulation results of inversely transferred helical and nonhelical energy in a decaying MHD system. We introduce a field structure model based on the MHD equation to show that the transfer of magnetic energy is essentially bidirectional depending on the plasma motion and initial energy distribution. And then we derive α coefficient algebraically in line with the field structure model to explain how the large scale magnetic field is induced by the helical energy in the system regardless of an external forcing source. And for the algebraic analysis of nonhelical magnetic energy, we use the eddy damped quasinormalized Markovian approximation to show the inverse transfer of magnetic energy.

Van der Waals corrected DFT study of adsorption of groups VA and VIA hydrides on graphene monoxide

NASA Astrophysics Data System (ADS)

Notash, M. Yaghoobi; Ebrahimzadeh, A. Rastkar

2016-06-01

Adsorption properties of H2O, H2S, NH3 and PH3 on graphene monoxide (GMO) nano flack are investigated using density functional theory (DFT). Calculations were carried out by van der Waals correction and general gradient approximation. The adsorption energies and charge transfer between species are obtained and discussed for the considered positions of adsorbate molecules. Charge transfer analysis show that the gas molecules act as an electron acceptor in all cases. The analysis of the adsorption energies suggest GMO can be a good candidate for the adsorption of these molecules.

Effect of filter type on the statistics of energy transfer between resolved and subfilter scales from a-priori analysis of direct numerical simulations of isotropic turbulence

NASA Astrophysics Data System (ADS)

Buzzicotti, M.; Linkmann, M.; Aluie, H.; Biferale, L.; Brasseur, J.; Meneveau, C.

2018-02-01

The effects of different filtering strategies on the statistical properties of the resolved-to-subfilter scale (SFS) energy transfer are analysed in forced homogeneous and isotropic turbulence. We carry out a-priori analyses of the statistical characteristics of SFS energy transfer by filtering data obtained from direct numerical simulations with up to 20483 grid points as a function of the filter cutoff scale. In order to quantify the dependence of extreme events and anomalous scaling on the filter, we compare a sharp Fourier Galerkin projector, a Gaussian filter and a novel class of Galerkin projectors with non-sharp spectral filter profiles. Of interest is the importance of Galilean invariance and we confirm that local SFS energy transfer displays intermittency scaling in both skewness and flatness as a function of the cutoff scale. Furthermore, we quantify the robustness of scaling as a function of the filtering type.

Observation of energy transfer phenomenon via up and down conversion in Eu3+ ions for BaMoO4:Er3+-Eu3+ nanophosphor

NASA Astrophysics Data System (ADS)

Soni, Abhishek Kumar; Ningthoujam, Raghumani Singh

2018-04-01

The Er3+-Eu3+ codoped BaMoO4 nanophosphor has been synthesized by using urea hydrolysis in ethylene glycol medium. The tetragonal phase formation of the codoped nanophosphor has been confirmed by the X-ray diffraction analysis. The up and down conversion emission spectra have been recorded via 980 and 270 nm excitation, respectively. The Eu3+ emission arising in the prepared Er3+-Eu3+ codoped BaMoO4 nanophosphor is basically due to the efficient energy transfer process. The energy level diagram has been sketched to show the energy transfer phenomenon in the Eu3+ ion from charge transfer band (host lattice absorption) and excited level of the Er3+ ion (multiphoton absorption). The values of colour co-ordinates suggest that materials can produce the red to yellow. The developed nanophosphor could be useful as an effective up and down converting optical material and lighting device applications.

Plasmon-enhanced energy transfer for improved upconversion of infrared radiation in doped-lanthanide nanocrystals

NASA Astrophysics Data System (ADS)

Sun, Qi; Mundoor, Haridas; Ribot, Josep; Singh, Vivek; Smalyukh, Ivan; Nagpal, Prashant

2014-03-01

Upconversion of infrared radiation into visible light has been investigated for applications in biological imaging and photovoltaics. However, low conversion efficiency due to small absorption cross-section for infrared light (Yb3+) , and slow rate of energy transfer (to Er3+ states) has prevented application of upconversion photoluminescence (UPL) for diffuse sunlight or imaging tissue samples. Here, we utilize resonant surface plasmon polaritons (SPP) waves to enhance UPL in doped-lanthanide nanocrystals. Our analysis indicates that SPP waves not only enhance the electromagnetic field, and hence weak Purcell effect, but also increases the rate of resonant energy transfer from Yb3+ to Er3+ ions by 6 fold. While we do observe strong metal mediated quenching (14 fold) of green fluorescence on flat metal surfaces, the nanostructured metal is resonant in the infrared, and hence enhances the nanocrystal UPL. This strong columbic effect on energy transfer can have important implications for other fluorescent and excitonic systems too.

Intense infrared emission of Er(3+) in Ca(8)Mg(SiO(4))(4)Cl(2) phosphor from energy transfer of Eu(2+) by broadband down-conversion.

PubMed

Zhou, Jiajia; Teng, Yu; Liu, Xiaofeng; Ye, Song; Xu, Xiaoqiu; Ma, Zhijun; Qiu, Jianrong

2010-10-11

We report on conversion of near-ultraviolet and visible radiation ranging from 250 to 500 nm into near-infrared emission by a Ca(8)Mg(SiO(4))(4)Cl(2): Eu(2+), Er(3+) phosphor. Efficient 1530-1560 nm Er(3+) emission ((4)I(13/2)-->(4)I(15/2)) was detected under the excitation of Eu(2+) (4f?5d) absorption band as a result of energy transfer from Eu(2+) to Er(3+), which is confirmed by both steady state and time-resolved emission spectra. The laser power dependent emission intensity changes were investigated to analysis the energy transfer mechanism. Energy transfer from Eu(2+) to Er(3+) followed by a multi-photon quantum cutting of Er(3+) is proposed. The result indicates that the phosphor has potential application in enhancement of conversion efficient of germanium solar cells because the energy difference of Er(3+): (4)I(13/2)-->(4)I(15/2) transition matches well with the bandgap of Ge (Eg~0.785 eV).

People bouncing on trampolines: dramatic energy transfer, a table-top demonstration, complex dynamics and a zero sum game.

PubMed

Srinivasan, Manoj; Wang, Yang; Sheets, Alison

2013-01-01

Jumping on trampolines is a popular backyard recreation. In some trampoline games (e.g., "seat drop war"), when two people land on the trampoline with only a small time-lag, one person bounces much higher than the other, as if energy has been transferred from one to the other. First, we illustrate this energy-transfer in a table-top demonstration, consisting of two balls dropped onto a mini-trampoline, landing almost simultaneously, sometimes resulting in one ball bouncing much higher than the other. Next, using a simple mathematical model of two masses bouncing passively on a massless trampoline with no dissipation, we show that with specific landing conditions, it is possible to transfer all the kinetic energy of one mass to the other through the trampoline - in a single bounce. For human-like parameters, starting with equal energy, the energy transfer is maximal when one person lands approximately when the other is at the bottom of her bounce. The energy transfer persists even for very stiff surfaces. The energy-conservative mathematical model exhibits complex non-periodic long-term motions. To complement this passive bouncing model, we also performed a game-theoretic analysis, appropriate when both players are acting strategically to steal the other player's energy. We consider a zero-sum game in which each player's goal is to gain the other player's kinetic energy during a single bounce, by extending her leg during flight. For high initial energy and a symmetric situation, the best strategy for both subjects (minimax strategy and Nash equilibrium) is to use the shortest available leg length and not extend their legs. On the other hand, an asymmetry in initial heights allows the player with more energy to gain even more energy in the next bounce. Thus synchronous bouncing unstable is unstable both for passive bouncing and when leg lengths are controlled as in game-theoretic equilibria.

People Bouncing on Trampolines: Dramatic Energy Transfer, a Table-Top Demonstration, Complex Dynamics and a Zero Sum Game

PubMed Central

Srinivasan, Manoj; Wang, Yang; Sheets, Alison

2013-01-01

Jumping on trampolines is a popular backyard recreation. In some trampoline games (e.g., “seat drop war”), when two people land on the trampoline with only a small time-lag, one person bounces much higher than the other, as if energy has been transferred from one to the other. First, we illustrate this energy-transfer in a table-top demonstration, consisting of two balls dropped onto a mini-trampoline, landing almost simultaneously, sometimes resulting in one ball bouncing much higher than the other. Next, using a simple mathematical model of two masses bouncing passively on a massless trampoline with no dissipation, we show that with specific landing conditions, it is possible to transfer all the kinetic energy of one mass to the other through the trampoline – in a single bounce. For human-like parameters, starting with equal energy, the energy transfer is maximal when one person lands approximately when the other is at the bottom of her bounce. The energy transfer persists even for very stiff surfaces. The energy-conservative mathematical model exhibits complex non-periodic long-term motions. To complement this passive bouncing model, we also performed a game-theoretic analysis, appropriate when both players are acting strategically to steal the other player's energy. We consider a zero-sum game in which each player's goal is to gain the other player's kinetic energy during a single bounce, by extending her leg during flight. For high initial energy and a symmetric situation, the best strategy for both subjects (minimax strategy and Nash equilibrium) is to use the shortest available leg length and not extend their legs. On the other hand, an asymmetry in initial heights allows the player with more energy to gain even more energy in the next bounce. Thus synchronous bouncing unstable is unstable both for passive bouncing and when leg lengths are controlled as in game-theoretic equilibria. PMID:24236029

Simultaneous backward data transmission and power harvesting in an ultrasonic transcutaneous energy transfer link employing acoustically dependent electric impedance modulation.

PubMed

Ozeri, Shaul; Shmilovitz, Doron

2014-09-01

The advancement and miniaturization of body implanted medical devices pose several challenges to Ultrasonic Transcutaneous Energy Transfer (UTET), such as the need to reduce the size of the piezoelectric resonator, and the need to maximize the UTET link power-transfer efficiency. Accordingly, the same piezoelectric resonator that is used for energy harvesting at the body implant, may also be used for ultrasonic backward data transfer, for instance, through impedance modulation. This paper presents physical considerations and design guidelines of the body implanted transducer of a UTET link with impedance modulation for a backward data transfer. The acoustic matching design procedure was based on the 2×2 transfer matrix chain analysis, in addition to the Krimholtz Leedom and Matthaei KLM transmission line model. The UTET power transfer was carried out at a frequency of 765 kHz, continuous wave (CW) mode. The backward data transfer was attained by inserting a 9% load resistance variation around its matched value (550 Ohm), resulting in a 12% increase in the acoustic reflection coefficient. A backward data transmission rate of 1200 bits/s was experimentally demonstrated using amplitude shift keying, simultaneously with an acoustic power transfer of 20 mW to the implant. Copyright © 2014 Elsevier B.V. All rights reserved.

New methodology for the heat flow prediction for different construction materials

NASA Astrophysics Data System (ADS)

Benachour, Elhadj; Draoui, Belkacem; Imine, Bachir; Asnoune, Khadidja; Boumediene, Allaoua; Mebarki, Brahim

2018-06-01

Among the ways of energy transfer by conduction is that of molecular interaction, in which the greater motion of a molecule at a higher energy level (temperature) imparts energy to adjacent molecules at lower energy levels. This type of transfer is present, to some degree, in all systems in which a temperature gradient exists and in which molecules of a solid, liquid, or gas are present. So, in heat transfer, the thermal conductivity of a substance is an intensive property that indicates its ability to conduct heat In particular in the building sector. The thermal flux is often measured with a mathematical analysis but for the same material, on the other hand the estimate will be disruptive and sometimes very difficult when the material changes. In this paper, a single equation for predicting heat flux of different materials is given.

Work and power analysis of the golf swing.

PubMed

Nesbit, Steven M; Serrano, Monika

2005-12-01

A work and power (energy) analysis of the golf swing is presented as a method for evaluating the mechanics of the golf swing. Two computer models were used to estimate the energy production, transfers, and conversions within the body and the golf club by employing standard methods of mechanics to calculate work of forces and torques, kinetic energies, strain energies, and power during the golf swing. A detailed model of the golf club determined the energy transfers and conversions within the club during the downswing. A full-body computer model of the golfer determined the internal work produced at the body joints during the downswing. Four diverse amateur subjects were analyzed and compared using these two models. The energy approach yielded new information on swing mechanics, determined the force and torque components that accelerated the club, illustrated which segments of the body produced work, determined the timing of internal work generation, measured swing efficiencies, calculated shaft energy storage and release, and proved that forces and range of motion were equally important in developing club head velocity. A more comprehensive description of the downswing emerged from information derived from an energy based analysis. Key PointsFull-Body Model of the golf swing.Energy analysis of the golf swing.Work of the body joints dDuring the golf swing.Comparisons of subject work and power characteristics.

Work and Power Analysis of the Golf Swing

PubMed Central

Nesbit, Steven M.; Serrano, Monika

2005-01-01

A work and power (energy) analysis of the golf swing is presented as a method for evaluating the mechanics of the golf swing. Two computer models were used to estimate the energy production, transfers, and conversions within the body and the golf club by employing standard methods of mechanics to calculate work of forces and torques, kinetic energies, strain energies, and power during the golf swing. A detailed model of the golf club determined the energy transfers and conversions within the club during the downswing. A full-body computer model of the golfer determined the internal work produced at the body joints during the downswing. Four diverse amateur subjects were analyzed and compared using these two models. The energy approach yielded new information on swing mechanics, determined the force and torque components that accelerated the club, illustrated which segments of the body produced work, determined the timing of internal work generation, measured swing efficiencies, calculated shaft energy storage and release, and proved that forces and range of motion were equally important in developing club head velocity. A more comprehensive description of the downswing emerged from information derived from an energy based analysis. Key Points Full-Body Model of the golf swing. Energy analysis of the golf swing. Work of the body joints dDuring the golf swing. Comparisons of subject work and power characteristics. PMID:24627666

Free-Energy Landscape and Proton Transfer Pathways in Oxidative Deamination by Methylamine Dehydrogenase.

PubMed

Zelleke, Theodros; Marx, Dominik

2017-01-18

The rate-determining step in the reductive half-reaction of the bacterial enzyme methylamine dehydrogenase, which is proton abstraction from the native substrate methylamine, is investigated using accelerated QM/MM molecular dynamics simulations at room temperature. Generation of the multidimensional thermal free-energy landscape without restriction of the degrees of freedom beyond a multidimensional reaction subspace maps two rather similar pathways for the underlying proton transfer to one of two aspartate carboxyl oxygen atoms, termed OD1 and OD2, which hydrogen bond with Thr122 and Trp108, respectively. Despite significant large-amplitude motion perpendicular to the one-dimensional proton transfer coordinate, due to fluctuations of the donor-acceptor distance of about 3 Å, it is found that the one-dimensional proton transfer free-energy profiles are essentially identical to the minimum free-energy pathways on the multidimensional free-energy landscapes for both proton transfer channels. Proton transfer to one of the acceptor oxygen atoms-the OD2 site-is slightly favored in methylamine dehydrogenase by approximately 2 kcal mol -1 , both kinetically and thermodynamically. Mechanistic analyses reveal that the hydrogen bond between Thr122β and OD1 is always present in the transition state independently of the proton transfer channel. Population analysis confirms that the electronic charge gained upon oxidation of the substrate is delocalized within the ring systems of the tryptophan tryptophylquinone cofactor. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Incorporation of charge transfer into the explicit polarization fragment method by grand canonical density functional theory.

PubMed

Isegawa, Miho; Gao, Jiali; Truhlar, Donald G

2011-08-28

Molecular fragmentation algorithms provide a powerful approach to extending electronic structure methods to very large systems. Here we present a method for including charge transfer between molecular fragments in the explicit polarization (X-Pol) fragment method for calculating potential energy surfaces. In the conventional X-Pol method, the total charge of each fragment is preserved, and charge transfer between fragments is not allowed. The description of charge transfer is made possible by treating each fragment as an open system with respect to the number of electrons. To achieve this, we applied Mermin's finite temperature method to the X-Pol wave function. In the application of this method to X-Pol, the fragments are open systems that partially equilibrate their number of electrons through a quasithermodynamics electron reservoir. The number of electrons in a given fragment can take a fractional value, and the electrons of each fragment obey the Fermi-Dirac distribution. The equilibrium state for the electrons is determined by electronegativity equalization with conservation of the total number of electrons. The amount of charge transfer is controlled by re-interpreting the temperature parameter in the Fermi-Dirac distribution function as a coupling strength parameter. We determined this coupling parameter so as to reproduce the charge transfer energy obtained by block localized energy decomposition analysis. We apply the new method to ten systems, and we show that it can yield reasonable approximations to potential energy profiles, to charge transfer stabilization energies, and to the direction and amount of charge transferred. © 2011 American Institute of Physics

Incorporation of charge transfer into the explicit polarization fragment method by grand canonical density functional theory

PubMed Central

Isegawa, Miho; Gao, Jiali; Truhlar, Donald G.

2011-01-01

Molecular fragmentation algorithms provide a powerful approach to extending electronic structure methods to very large systems. Here we present a method for including charge transfer between molecular fragments in the explicit polarization (X-Pol) fragment method for calculating potential energy surfaces. In the conventional X-Pol method, the total charge of each fragment is preserved, and charge transfer between fragments is not allowed. The description of charge transfer is made possible by treating each fragment as an open system with respect to the number of electrons. To achieve this, we applied Mermin's finite temperature method to the X-Pol wave function. In the application of this method to X-Pol, the fragments are open systems that partially equilibrate their number of electrons through a quasithermodynamics electron reservoir. The number of electrons in a given fragment can take a fractional value, and the electrons of each fragment obey the Fermi–Dirac distribution. The equilibrium state for the electrons is determined by electronegativity equalization with conservation of the total number of electrons. The amount of charge transfer is controlled by re-interpreting the temperature parameter in the Fermi–Dirac distribution function as a coupling strength parameter. We determined this coupling parameter so as to reproduce the charge transfer energy obtained by block localized energy decomposition analysis. We apply the new method to ten systems, and we show that it can yield reasonable approximations to potential energy profiles, to charge transfer stabilization energies, and to the direction and amount of charge transferred. PMID:21895159

Recent developments in Förster resonance energy transfer (FRET) diagnostics using quantum dots.

PubMed

Geißler, Daniel; Hildebrandt, Niko

2016-07-01

The exceptional photophysical properties and the nanometric dimensions of colloidal semiconductor quantum dots (QD) have strongly attracted the bioanalytical community over the last approximately 20 y. In particular, the integration of QDs in the analysis of biological components and interactions, and the related diagnostics using Förster resonance energy transfer (FRET), have allowed researchers to significantly improve and diversify fluorescence-based biosensing. In this TRENDS article, we review some recent developments in QD-FRET biosensing that have implemented this technology in electronic consumer products, multiplexed analysis, and detection without light excitation for diagnostic applications. In selected examples of smartphone-based imaging, single- and multistep FRET, steady-state and time-resolved spectroscopy, and bio/chemiluminescence detection of QDs used as both FRET donors and acceptors, we highlight the advantages of QD-based FRET biosensing for multiplexed and sensitive diagnostics. Graphical Abstract Quantum dots (QDs) can be applied as donors and/or acceptors for Förster resonance energy transfer- (FRET-) based biosensing for multiplexed and sensitive diagnostics in various assay formats.

Mechanical energy transfers across lower limb segments during stair ascent and descent in young and healthy older adults.

PubMed

Novak, Alison C; Li, Qingguo; Yang, Shuozhi; Brouwer, Brenda

2011-07-01

Older adults present with altered movement patterns during stair negotiation although the extent to which modifications in pattern and speed influence mechanical efficiency is unknown. This study evaluated mechanical energy transfers attributed to active force production during stair negotiation in young and older adults to provide insight into age-related changes in mechanical efficiency. Secondary analysis on data obtained from 23 young (23.7±3.0 years) and 32 older adults (67.0±8.2 years) during self-paced stair ascent and descent was conducted. Mechanical energy expenditures (MEE) during concentric transfer, eccentric transfer and no-transfer phases were determined for the ankle, knee and hip power profiles in the sagittal plane. Mechanical energy compensations (MEC) were also determined at each joint. During ascent, MEEs were similar for young and older adults although older adults compensated ankle muscles to a lesser extent during concentric muscle action. Controlling for cadence eliminated this difference. During descent, older adults demonstrated lower energy expenditures at the ankle and hip and similar expenditures at the knee compared to young adults. Changes in joint MEE in the older group resulted in reduced energy compensation at the ankle during concentric and eccentric activity and at the knee during eccentric activity. These age-related differences in mechanical energy transfers and related adjustments in MEC were not a function of the slower cadence in older adults and suggest a loss in mechanical efficiency. These results provide a benchmark against which physical impairments in older adults may be explored. Copyright © 2011 Elsevier B.V. All rights reserved.

Excitonic enhancement of nonradiative energy transfer to bulk silicon with the hybridization of cascaded quantum dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yeltik, Aydan; Guzelturk, Burak; Akhavan, Shahab

2013-12-23

We report enhanced sensitization of silicon through nonradiative energy transfer (NRET) of the excitons in an energy-gradient structure composed of a cascaded bilayer of green- and red-emitting CdTe quantum dots (QDs) on bulk silicon. Here NRET dynamics were systematically investigated comparatively for the cascaded energy-gradient and mono-dispersed QD structures at room temperature. We show experimentally that NRET from the QD layer into silicon is enhanced by 40% in the case of an energy-gradient cascaded structure as compared to the mono-dispersed structures, which is in agreement with the theoretical analysis based on the excited state population-depopulation dynamics of the QDs.

Charge Transfer and Orbital Level Alignment at Inorganic/Organic Interfaces: The Role of Dielectric Interlayers.

PubMed

Hollerer, Michael; Lüftner, Daniel; Hurdax, Philipp; Ules, Thomas; Soubatch, Serguei; Tautz, Frank Stefan; Koller, Georg; Puschnig, Peter; Sterrer, Martin; Ramsey, Michael G

2017-06-27

It is becoming accepted that ultrathin dielectric layers on metals are not merely passive decoupling layers, but can actively influence orbital energy level alignment and charge transfer at interfaces. As such, they can be important in applications ranging from catalysis to organic electronics. However, the details at the molecular level are still under debate. In this study, we present a comprehensive analysis of the phenomenon of charge transfer promoted by a dielectric interlayer with a comparative study of pentacene adsorbed on Ag(001) with and without an ultrathin MgO interlayer. Using scanning tunneling microscopy and photoemission tomography supported by density functional theory, we are able to identify the orbitals involved and quantify the degree of charge transfer in both cases. Fractional charge transfer occurs for pentacene adsorbed on Ag(001), while the presence of the ultrathin MgO interlayer promotes integer charge transfer with the lowest unoccupied molecular orbital transforming into a singly occupied and singly unoccupied state separated by a large gap around the Fermi energy. Our experimental approach allows a direct access to the individual factors governing the energy level alignment and charge-transfer processes for molecular adsorbates on inorganic substrates.

Analysis of the critical step in catalytic carbodiimide transformation: proton transfer from amines, phosphines, and alkynes to guanidinates, phosphaguanidinates, and propiolamidinates with Li and Al catalysts.

PubMed

Rowley, Christopher N; Ong, Tiow-Gan; Priem, Jessica; Richeson, Darrin S; Woo, Tom K

2008-12-15

While lithium amides supported by tetramethylethylenediamine (TMEDA) are efficient catalysts in the synthesis of substituted guanidines via the guanylation of an amine with carbodiimide, as well as the guanylation of phosphines and conversion of alkynes into propiolamidines, aluminum amides are only efficient catalysts for the guanylation of amides. Density functional theory (DFT) calculations were used to explain this difference in activity. The origin of this behavior is apparent in the critical step where a proton is transferred from the substrate to a metal guanidinate. The activation energies of these steps are modest for amines, phosphines, and alkynes when a lithium catalyst was used, but are prohibitively high for the analogous reactions with phosphines and alkynes for aluminum amide catalysts. Energy decomposition analysis (EDA) indicates that these high activations energies are due to the high energetic cost of the detachment of a chelating guanidinate nitrogen from the aluminum in the proton transfer transition state. Amines are able to adopt an ideal geometry for facile proton transfer to the aluminum guanidinate and concomitant Al-N bond formation, while phosphines and alkynes are not.

Evaluation of Solar Air Heater Performance with Artificial Rib Roughness over the Absorber Plate using Finite Element Modelling Analysis

NASA Astrophysics Data System (ADS)

Kumar, K. Ravi; Nikhil Varma, P.; Jagadeesh, N.; Sandeep, J. V.; Cheepu, Muralimohan; Venkateswarlu, D.; Srinivas, B.

2018-03-01

Among the different renewable energy resources, solar energy is widely used due to its quantitative intensity factor. Solar air heater is cheap, simple in design and has got wide range of applications. A modest solar air heater has a lower in heat transfer and thermal performance as it has heat transfer coefficient lower in between coated absorber plate and the carrier fluid. This low thermal performance can be reduced to a greater extent by introducing the artificially created roughness over the absorber plate of the solar heater. In the present study, the combination of various geometries and roughness’s on the absorber plate are reported. Methods have been developed and implemented in order to improve the rate of the heat transfer. A comparison is drawn among different geometries to select the most effective absorber plate roughness. For flow analysis k-ω SST model was used and the constant heat flux was taken as 1100 W/m2. The Reynolds number is varied in a range from 3000 to 20000. The variation of different parameters temperature, Nusselt number, turbulence kinetic energy and heat transfer coefficient with Reynolds number were examined and discussed.

Density-based Energy Decomposition Analysis for Intermolecular Interactions with Variationally Determined Intermediate State Energies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Q.; Ayers, P.W.; Zhang, Y.

2009-10-28

The first purely density-based energy decomposition analysis (EDA) for intermolecular binding is developed within the density functional theory. The most important feature of this scheme is to variationally determine the frozen density energy, based on a constrained search formalism and implemented with the Wu-Yang algorithm [Q. Wu and W. Yang, J. Chem. Phys. 118, 2498 (2003) ]. This variational process dispenses with the Heitler-London antisymmetrization of wave functions used in most previous methods and calculates the electrostatic and Pauli repulsion energies together without any distortion of the frozen density, an important fact that enables a clean separation of these twomore » terms from the relaxation (i.e., polarization and charge transfer) terms. The new EDA also employs the constrained density functional theory approach [Q. Wu and T. Van Voorhis, Phys. Rev. A 72, 24502 (2005)] to separate out charge transfer effects. Because the charge transfer energy is based on the density flow in real space, it has a small basis set dependence. Applications of this decomposition to hydrogen bonding in the water dimer and the formamide dimer show that the frozen density energy dominates the binding in these systems, consistent with the noncovalent nature of the interactions. A more detailed examination reveals how the interplay of electrostatics and the Pauli repulsion determines the distance and angular dependence of these hydrogen bonds.« less

Formation mechanism and mechanics of dip-pen nanolithography using molecular dynamics.

PubMed

Wu, Cheng-Da; Fang, Te-Hua; Lin, Jen-Fin

2010-03-02

Molecular dynamics simulations are used to investigate the mechanisms of molecular transference, pattern formation, and mechanical behavior in the dip-pen nanolithography (DPN) process. The effects of deposition temperature were studied using molecular trajectories, the meniscus characteristic, surface absorbed energy, and pattern formation analysis. At the first transferred stage (at the initial indentation depth), the conformation of SAM molecules lies almost on the substrate surface. The molecules start to stand on the substrate due to the pull and drag forces at the second transferred stage (after the tip is pulled up). According to the absorbed energy behavior, the second transferred stage has larger transferred amounts and the transfer rate is strongly related to temperature. When molecules were deposited at low temperature (e.g., room temperature), the pattern shape was more highly concentrated. The pattern shape at high temperatures expanded and the area increased because of good molecular diffusion.

Significance of a Recurring Function in Energy Transfer

NASA Astrophysics Data System (ADS)

Mishra, Subodha

2017-05-01

The appearance of a unique function in the energy transfer from one system to the other in different physical situations such as electrical, mechanical, optical, and quantum mechanical processes is established in this work. Though the laws governing the energy transformation and its transfer from system to system are well known, here we notice a unity in diversity; a unique function appears in various cases of energy transfer whether it is a classical or a quantum mechanical process. We consider four examples, well known in elementary physics, from the fields of electricity, mechanics, optics, and quantum mechanics. We find that this unique function is in fact the transfer function corresponding to all these physical situations, and the interesting and intriguing finding is that the inverse Laplace transform of this transfer function, which is the impulse-response function of the systems when multiplied by a factor of -½, is the solution of a linear differential equation for an "instantly forced critically damped harmonic oscillator." It is important to note that though the physical phenomena considered are quite distinct, the underlying process in the language of impulse-response of the system in the time domain is a unique one. To the best of our knowledge we have not seen anywhere the above analysis of determining the unique function or its description as a transfer function in literature.

Three-Dimensional Structure of Boundary Layers in Transition to Turbulence.

DTIC Science & Technology

1987-06-24

a general parabolic velo- city distribution (4.4) Discussion of the relevance of these motions for the forced situation in the laminar sublayer of...areas of energy transfer with the symmetries of the various peak-valley splitting and subharmonic modes. Analysis of the global energy transfer over a ...expansion. At third order, we obtain a Landau con- stant that accounts for those nonlinear effects on the growth rate of the 3D mode that directly originate

Dissipation, intermittency, and singularities in incompressible turbulent flows

NASA Astrophysics Data System (ADS)

Debue, P.; Shukla, V.; Kuzzay, D.; Faranda, D.; Saw, E.-W.; Daviaud, F.; Dubrulle, B.

2018-05-01

We examine the connection between the singularities or quasisingularities in the solutions of the incompressible Navier-Stokes equation (INSE) and the local energy transfer and dissipation, in order to explore in detail how the former contributes to the phenomenon of intermittency. We do so by analyzing the velocity fields (a) measured in the experiments on the turbulent von Kármán swirling flow at high Reynolds numbers and (b) obtained from the direct numerical simulations of the INSE at a moderate resolution. To compute the local interscale energy transfer and viscous dissipation in experimental and supporting numerical data, we use the weak solution formulation generalization of the Kármán-Howarth-Monin equation. In the presence of a singularity in the velocity field, this formulation yields a nonzero dissipation (inertial dissipation) in the limit of an infinite resolution. Moreover, at finite resolutions, it provides an expression for local interscale energy transfers down to the scale where the energy is dissipated by viscosity. In the presence of a quasisingularity that is regularized by viscosity, the formulation provides the contribution to the viscous dissipation due to the presence of the quasisingularity. Therefore, our formulation provides a concrete support to the general multifractal description of the intermittency. We present the maps and statistics of the interscale energy transfer and show that the extreme events of this transfer govern the intermittency corrections and are compatible with a refined similarity hypothesis based on this transfer. We characterize the probability distribution functions of these extreme events via generalized Pareto distribution analysis and find that the widths of the tails are compatible with a similarity of the second kind. Finally, we make a connection between the topological and the statistical properties of the extreme events of the interscale energy transfer field and its multifractal properties.

Modeling Electronic-Nuclear Interactions for Excitation Energy Transfer Processes in Light-Harvesting Complexes.

PubMed

Lee, Mi Kyung; Coker, David F

2016-08-18

An accurate approach for computing intermolecular and intrachromophore contributions to spectral densities to describe the electronic-nuclear interactions relevant for modeling excitation energy transfer processes in light harvesting systems is presented. The approach is based on molecular dynamics (MD) calculations of classical correlation functions of long-range contributions to excitation energy fluctuations and a separate harmonic analysis and single-point gradient quantum calculations for electron-intrachromophore vibrational couplings. A simple model is also presented that enables detailed analysis of the shortcomings of standard MD-based excitation energy fluctuation correlation function approaches. The method introduced here avoids these problems, and its reliability is demonstrated in accurate predictions for bacteriochlorophyll molecules in the Fenna-Matthews-Olson pigment-protein complex, where excellent agreement with experimental spectral densities is found. This efficient approach can provide instantaneous spectral densities for treating the influence of fluctuations in environmental dissipation on fast electronic relaxation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dernotte, Jeremie; Dec, John E.; Ji, Chunsheng

A detailed understanding of the various factors affecting the trends in gross-indicated thermal efficiency with changes in key operating parameters has been carried out, applied to a one-liter displacement single-cylinder boosted Low-Temperature Gasoline Combustion (LTGC) engine. This work systematically investigates how the supplied fuel energy splits into the following four energy pathways: gross-indicated thermal efficiency, combustion inefficiency, heat transfer and exhaust losses, and how this split changes with operating conditions. Additional analysis is performed to determine the influence of variations in the ratio of specific heat capacities (γ) and the effective expansion ratio, related to the combustion-phasing retard (CA50), onmore » the energy split. Heat transfer and exhaust losses are computed using multiple standard cycle analysis techniques. Furthermore, the various methods are evaluated in order to validate the trends.« less

Spatio-temporal hierarchy in the dynamics of a minimalist protein model

NASA Astrophysics Data System (ADS)

Matsunaga, Yasuhiro; Baba, Akinori; Li, Chun-Biu; Straub, John E.; Toda, Mikito; Komatsuzaki, Tamiki; Berry, R. Stephen

2013-12-01

A method for time series analysis of molecular dynamics simulation of a protein is presented. In this approach, wavelet analysis and principal component analysis are combined to decompose the spatio-temporal protein dynamics into contributions from a hierarchy of different time and space scales. Unlike the conventional Fourier-based approaches, the time-localized wavelet basis captures the vibrational energy transfers among the collective motions of proteins. As an illustrative vehicle, we have applied our method to a coarse-grained minimalist protein model. During the folding and unfolding transitions of the protein, vibrational energy transfers between the fast and slow time scales were observed among the large-amplitude collective coordinates while the other small-amplitude motions are regarded as thermal noise. Analysis employing a Gaussian-based measure revealed that the time scales of the energy redistribution in the subspace spanned by such large-amplitude collective coordinates are slow compared to the other small-amplitude coordinates. Future prospects of the method are discussed in detail.

Laser-plasma interactions and implosion symmetry in rugby hohlraums

NASA Astrophysics Data System (ADS)

Michel, Pierre; Berger, R. L.; Lasinski, B. F.; Ross, J. S.; Divol, L.; Williams, E. A.; Meeker, D.; Langdon, B. A.; Park, H.; Amendt, P.

2011-10-01

Cross-beam energy transfer is studied in the context of ``rugby''-hohlraum experiments at the Omega laser facility in FY11, in preparation for future NIF experiments. The transfer acts in opposite direction between rugby and cylinder hohlraums due to the different beam pointing geometries and flow patterns. Its interaction with backscatter is also different as both happen in similar regions inside rugby hohlraums. We will analyze the effects of non-linearities and temporal beam smoothing on energy transfer using the code pF3d. Calculations will be compared to experiments at Omega; analysis of future rugby hohlraum experiments on NIF will also be presented. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Koenraad Beckers | NREL

Science.gov Websites

postdoctoral researcher working on geothermal energy and CSP projects. His interests include heat and mass geothermal energy systems modeling, reservoir simulation, and economic analysis, as well as on the design and transfer, energy conversion and storage systems, reservoir modeling, and direct-use applications of thermal

Trajectory analysis of transfers between L4 and L5 and low lunar orbit

NASA Technical Reports Server (NTRS)

1988-01-01

The flight characteristics and spacecraft performance during missions involving flight between the equilateral libration points and the Moon are discussed. The conclusions drawn will show that a minimum energy trajectory is the most efficient transfer technique for this type of flight.

Energy transfer of highly vibrationally excited biphenyl.

PubMed

Hsu, Hsu Chen; Dyakov, Yuri; Ni, Chi-Kung

2010-11-07

The energy transfer between Kr atoms and highly vibrationally excited, rotationally cold biphenyl in the triplet state was investigated using crossed-beam/time-of-flight mass spectrometer/time-sliced velocity map ion imaging techniques. Compared to the energy transfer of naphthalene, energy transfer of biphenyl shows more forward scattering, less complex formation, larger cross section for vibrational to translational (V→T) energy transfer, smaller cross section for translational to vibrational and rotational (T→VR) energy transfer, larger total collisional cross section, and more energy transferred from vibration to translation. Significant increase in the large V→T energy transfer probabilities, termed supercollisions, was observed. The difference in the energy transfer of highly vibrationally excited molecules between rotationally cold naphthalene and rotationally cold biphenyl is very similar to the difference in the energy transfer of highly vibrationally excited molecules between rotationally cold naphthalene and rotationally hot naphthalene. The low-frequency vibrational modes with out-of-plane motion and rotationlike wide-angle motion are attributed to make the energy transfer of biphenyl different from that of naphthalene.

Transfer of mechanical energy during the shot put.

PubMed

Błażkiewicz, Michalina; Łysoń, Barbara; Chmielewski, Adam; Wit, Andrzej

2016-09-01

The aim of this study was to analyse transfer of mechanical energy between body segments during the glide shot put. A group of eight elite throwers from the Polish National Team was analysed in the study. Motion analysis of each throw was recorded using an optoelectronic Vicon system composed of nine infrared camcorders and Kistler force plates. The power and energy were computed for the phase of final acceleration of the glide shot put. The data were normalized with respect to time using the algorithm of the fifth order spline and their values were interpolated with respect to the percentage of total time, assuming that the time of the final weight acceleration movement was different for each putter. Statistically significant transfer was found in the study group between the following segments: Right Knee - Right Hip (p = 0.0035), Left Hip - Torso (p = 0.0201), Torso - Right Shoulder (p = 0.0122) and Right Elbow - Right Wrist (p = 0.0001). Furthermore, the results of cluster analysis showed that the kinetic chain used during the final shot acceleration movement had two different models. Differences between the groups were revealed mainly in the energy generated by the hips and trunk.

Advances in the analysis and prediction of turbulent viscoelastic flows

NASA Astrophysics Data System (ADS)

Gatski, T. B.; Thais, L.; Mompean, G.

2014-08-01

It has been well-known for over six decades that the addition of minute amounts of long polymer chains to organic solvents, or water, can lead to significant turbulent drag reduction. This discovery has had many practical applications such as in pipeline fluid transport, oil well operations, vehicle design and submersible vehicle projectiles, and more recently arteriosclerosis treatment. However, it has only been the last twenty-five years that the full utilization of direct numerical simulation of such turbulent viscoelastic flows has been achieved. The unique characteristics of viscoelastic fluid flow are dictated by the nonlinear differential relationship between the flow strain rate field and the extra-stress induced by the additive polymer. A primary motivation for the analysis of these turbulent fluid flows is the understanding of the effect on the dynamic transfer of energy in the turbulent flow due to the presence of the extra-stress field induced by the presence of the viscoelastic polymer chain. Such analyses now utilize direct numerical simulation data of fully developed channel flow for the FENE-P (Finite Extendable Nonlinear Elastic - Peterlin) fluid model. Such multi-scale dynamics suggests an analysis of the transfer of energy between the various component motions that include the turbulent kinetic energy, and the mean polymeric and elastic potential energies. It is shown that the primary effect of the interaction between the turbulent and polymeric fields is to transfer energy from the turbulence to the polymer.

Highly Efficient Intramolecular Electrochemiluminescence Energy Transfer for Ultrasensitive Bioanalysis of Aflatoxin M1.

PubMed

Liu, Jia-Li; Zhao, Min; Zhuo, Ying; Chai, Ya-Qin; Yuan, Ruo

2017-02-03

The intermolecular electrochemiluminescence resonance energy transfer (ECL-RET) between luminol and Ru(bpy) 3 2+ was studied extensively to achieve the sensitive bioanalysis owing to the perfect spectral overlap of the donor and acceptor, but it still suffers from the challenging issue of low energy-transfer efficiency. The intramolecular ECL-RET towards the novel ECL compound containing the donor of luminol and the acceptor of Ru(bpy) 2 (mcpbpy) 2+ (Lum-Ru) was designed and investigated. With the high-efficient ECL-RET in one molecule, the highly intense ECL signal of Lum-Ru was obtained owing to the short path of energy transmission and less energy loss between luminol and Ru(bpy) 2 (mcpbpy) 2+ . Lum-Ru was further applied to construct a signal-off electrochemiluminescence (ECL) aptasensor for ultrasensitive detection of a harsh carcinogen of Aflatoxin M1 (AFM1). This sensing platform also provides a significant boost for the trace detection of other biomolecules in clinical analysis. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Cerenkov Radiation Energy Transfer (CRET) Imaging: A Novel Method for Optical Imaging of PET Isotopes in Biological Systems

PubMed Central

Dothager, Robin S.; Goiffon, Reece J.; Jackson, Erin; Harpstrite, Scott; Piwnica-Worms, David

2010-01-01

Background Positron emission tomography (PET) allows sensitive, non-invasive analysis of the distribution of radiopharmaceutical tracers labeled with positron (β+)-emitting radionuclides in small animals and humans. Upon β+ decay, the initial velocity of high-energy β+ particles can momentarily exceed the speed of light in tissue, producing Cerenkov radiation that is detectable by optical imaging, but is highly absorbed in living organisms. Principal Findings To improve optical imaging of Cerenkov radiation in biological systems, we demonstrate that Cerenkov radiation from decay of the PET isotopes 64Cu and 18F can be spectrally coupled by energy transfer to high Stokes-shift quantum nanoparticles (Qtracker705) to produce highly red-shifted photonic emissions. Efficient energy transfer was not detected with 99mTc, a predominantly γ-emitting isotope. Similar to bioluminescence resonance energy transfer (BRET) and fluorescence resonance energy transfer (FRET), herein we define the Cerenkov radiation energy transfer (CRET) ratio as the normalized quotient of light detected within a spectral window centered on the fluorophore emission divided by light detected within a spectral window of the Cerenkov radiation emission to quantify imaging signals. Optical images of solutions containing Qtracker705 nanoparticles and [18F]FDG showed CRET ratios in vitro as high as 8.8±1.1, while images of mice with subcutaneous pseudotumors impregnated with Qtracker705 following intravenous injection of [18F]FDG showed CRET ratios in vivo as high as 3.5±0.3. Conclusions Quantitative CRET imaging may afford a variety of novel optical imaging applications and activation strategies for PET radiopharmaceuticals and other isotopes in biomaterials, tissues and live animals. PMID:20949021

Cerenkov radiation energy transfer (CRET) imaging: a novel method for optical imaging of PET isotopes in biological systems.

PubMed

Dothager, Robin S; Goiffon, Reece J; Jackson, Erin; Harpstrite, Scott; Piwnica-Worms, David

2010-10-11

Positron emission tomography (PET) allows sensitive, non-invasive analysis of the distribution of radiopharmaceutical tracers labeled with positron (β(+))-emitting radionuclides in small animals and humans. Upon β(+) decay, the initial velocity of high-energy β(+) particles can momentarily exceed the speed of light in tissue, producing Cerenkov radiation that is detectable by optical imaging, but is highly absorbed in living organisms. To improve optical imaging of Cerenkov radiation in biological systems, we demonstrate that Cerenkov radiation from decay of the PET isotopes (64)Cu and (18)F can be spectrally coupled by energy transfer to high Stokes-shift quantum nanoparticles (Qtracker705) to produce highly red-shifted photonic emissions. Efficient energy transfer was not detected with (99m)Tc, a predominantly γ-emitting isotope. Similar to bioluminescence resonance energy transfer (BRET) and fluorescence resonance energy transfer (FRET), herein we define the Cerenkov radiation energy transfer (CRET) ratio as the normalized quotient of light detected within a spectral window centered on the fluorophore emission divided by light detected within a spectral window of the Cerenkov radiation emission to quantify imaging signals. Optical images of solutions containing Qtracker705 nanoparticles and [(18)F]FDG showed CRET ratios in vitro as high as 8.8±1.1, while images of mice with subcutaneous pseudotumors impregnated with Qtracker705 following intravenous injection of [(18)F]FDG showed CRET ratios in vivo as high as 3.5±0.3. Quantitative CRET imaging may afford a variety of novel optical imaging applications and activation strategies for PET radiopharmaceuticals and other isotopes in biomaterials, tissues and live animals.

Second principle approach to the analysis of unsteady flow and heat transfer in a tube with arc-shaped corrugation

NASA Astrophysics Data System (ADS)

Pagliarini, G.; Vocale, P.; Mocerino, A.; Rainieri, S.

2017-01-01

Passive convective heat transfer enhancement techniques are well known and widespread tool for increasing the efficiency of heat transfer equipment. In spite of the ability of the first principle approach to forecast the macroscopic effects of the passive techniques for heat transfer enhancement, namely the increase of both the overall heat exchanged and the head losses, a first principle analysis based on energy, momentum and mass local conservation equations is hardly able to give a comprehensive explanation of how local modifications in the boundary layers contribute to the overall effect. A deeper insight on the heat transfer enhancement mechanisms can be instead obtained within a second principle approach, through the analysis of the local exergy dissipation phenomena which are related to heat transfer and fluid flow. To this aim, the analysis based on the second principle approach implemented through a careful consideration of the local entropy generation rate seems the most suitable, since it allows to identify more precisely the cause of the loss of efficiency in the heat transfer process, thus providing a useful guide in the choice of the most suitable heat transfer enhancement techniques.

The high energy multicharged particle exposure of the microbial ecology evaluation device on board the Apollo 16 spacecraft

NASA Technical Reports Server (NTRS)

Benton, E. V.; Henke, R. P.

1973-01-01

The high energy multicharged cosmic-ray-particle exposure of the Microbial Ecology Evaluation Device package on board the Apollo 16 spacecraft was monitored using cellulose nitrate, Lexan polycarbonate, nuclear emulsion, and silver chloride crystal nuclear-track detectors. The results of the analysis of these detectors include the measured particle fluences, the linear energy transfer spectra, and the integral atomic number spectrum of stopping particle density. The linear energy transfer spectrum is used to compute the fractional cell loss in human kidney (T1) cells caused by heavy particles. Because the Microbial Ecology Evaluation Device was better shielded, the high-energy multicharged particle exposure was less than that measured on the crew passive dosimeters.

Energy decomposition analysis for exciplexes using absolutely localized molecular orbitals

NASA Astrophysics Data System (ADS)

Ge, Qinghui; Mao, Yuezhi; Head-Gordon, Martin

2018-02-01

An energy decomposition analysis (EDA) scheme is developed for understanding the intermolecular interaction involving molecules in their excited states. The EDA utilizes absolutely localized molecular orbitals to define intermediate states and is compatible with excited state methods based on linear response theory such as configuration interaction singles and time-dependent density functional theory. The shift in excitation energy when an excited molecule interacts with the environment is decomposed into frozen, polarization, and charge transfer contributions, and the frozen term can be further separated into Pauli repulsion and electrostatics. These terms can be added to their counterparts obtained from the ground state EDA to form a decomposition of the total interaction energy. The EDA scheme is applied to study a variety of systems, including some model systems to demonstrate the correct behavior of all the proposed energy components as well as more realistic systems such as hydrogen-bonding complexes (e.g., formamide-water, pyridine/pyrimidine-water) and halide (F-, Cl-)-water clusters that involve charge-transfer-to-solvent excitations.

Heat and Mass Transfer Analysis of MHD Nanofluid Flow with Radiative Heat Effects in the Presence of Spherical Au-Metallic Nanoparticles

NASA Astrophysics Data System (ADS)

Qureshi, M. Zubair Akbar; Rubbab, Qammar; Irshad, Saadia; Ahmad, Salman; Aqeel, M.

2016-10-01

Energy generation is currently a serious concern in the progress of human civilization. In this regard, solar energy is considered as a significant source of renewable energy. The purpose of the study is to establish a thermal energy model in the presence of spherical Au-metallic nanoparticles. It is numerical work which studies unsteady magnetohydrodynamic (MHD) nanofluid flow through porous disks with heat and mass transfer aspects. Shaped factor of nanoparticles is investigated using small values of the permeable Reynolds number. In order to scrutinize variation of thermal radiation effects, a dimensionless Brinkman number is introduced. The results point out that heat transfer significantly escalates with the increase of Brinkman number. Partial differential equations that govern this study are reduced into nonlinear ordinary differential equations by means of similarity transformations. Then using a shooting technique, a numerical solution of these equations is constructed. Radiative effects on temperature and mass concentration are quite opposite. Heat transfer increases in the presence of spherical Au-metallic nanoparticles.

Heat and Mass Transfer Analysis of MHD Nanofluid Flow with Radiative Heat Effects in the Presence of Spherical Au-Metallic Nanoparticles.

PubMed

Qureshi, M Zubair Akbar; Rubbab, Qammar; Irshad, Saadia; Ahmad, Salman; Aqeel, M

2016-12-01

Energy generation is currently a serious concern in the progress of human civilization. In this regard, solar energy is considered as a significant source of renewable energy. The purpose of the study is to establish a thermal energy model in the presence of spherical Au-metallic nanoparticles. It is numerical work which studies unsteady magnetohydrodynamic (MHD) nanofluid flow through porous disks with heat and mass transfer aspects. Shaped factor of nanoparticles is investigated using small values of the permeable Reynolds number. In order to scrutinize variation of thermal radiation effects, a dimensionless Brinkman number is introduced. The results point out that heat transfer significantly escalates with the increase of Brinkman number. Partial differential equations that govern this study are reduced into nonlinear ordinary differential equations by means of similarity transformations. Then using a shooting technique, a numerical solution of these equations is constructed. Radiative effects on temperature and mass concentration are quite opposite. Heat transfer increases in the presence of spherical Au-metallic nanoparticles.

Role of Frequency Chirp and Energy Flow Directionality in the Strong Coupling Regime of Brillouin-Based Plasma Amplification.

PubMed

Chiaramello, M; Amiranoff, F; Riconda, C; Weber, S

2016-12-02

A detailed analysis is presented of the various stages of strong coupling Brillouin plasma amplification, emphasizing the importance of the chirp which can be of threefold origin: the intrinsic one driven by the amplification process, the one originating from the chirped-pulse-generated laser pulses, and the one associated with the plasma profile. Control of the overall chirp can optimize or quench the energy transfer. The time-dependent phase relation explains the energy flow direction during amplification and is characteristic for this strong coupling process. The study is also of potential importance to understand and maybe control cross-beam-energy transfer in inertial confinement fusion.

Terbium to Quantum Dot FRET Bioconjugates for Clinical Diagnostics: Influence of Human Plasma on Optical and Assembly Properties

DTIC Science & Technology

2011-10-12

Periasamy, A. Fluorescence Resonance Energy Transfer (FRET) microscopy imaging of live cell protein localization. J . Cell. Biol. 2003, 5, 629-633. 4...tissues. Physiol. Rev. 2010, 90, 1103-1163. 10. Woehler, A.; Wlodarczyk, J .; Neher, E. Signal/noise analysis of FRET-based sensors. Biophys. J . 2010...99, 2344-2354. 11. Selvin, P.R. Lanthanide-based resonance energy transfer. IEEE J . Sel. Top. Quant. Electron. 1996, 2, 1077-1087. 12. Van der Meer

Theoretical Determination of Energy Transfer Processes and Influence of Symmetry in Lanthanide(III) Complexes: Methodological Considerations.

PubMed

Beltrán-Leiva, María J; Páez-Hernández, Dayán; Arratia-Pérez, Ramiro

2018-05-07

This work presents a theoretical protocol to analyze the symmetry effect on the allowed character of the transitions and to estimate the probability of energy transfer in lanthanide(III) complexes. For this purpose, a complete study was performed based on the multireference CASSCF/PT2 technique along with TDDFT, to build the energy level diagrams and determine the spectral overlap integrals, respectively. This approach was applied on a series of LnIII complexes, viz. [LnCl 3 (DMF) 2 (Dpq)]/[Ln(NO 3 ) 3 (DMF) 2 (Dpq)], where Ln = Sm III , Tb III , Er III /Eu III , Nd III and dpq = dipyridoquinoxaline, synthesized and characterized by Patra et al. ( Dalton Trans. 2015 , 44 ( 46 ), 19844 - 19855 ; CrystEngComm 2016 , 18 ( 23 ), 4313 - 4322 ; Inorg. Chim. Acta 2016 , 451 , 73 - 81 ). A fragmentation scheme was applied where both the ligand and the lanthanide fragments were treated separately but at the same level of theory. The symmetry analysis only partially reproduced the expected results, and a more detailed analysis of the crystal field became necessary. On the other hand, the most probable energy transfer pathways that take place in the complexes were elucidated from the energy gaps between the ligand-localized triplet state and the emitting levels of the lanthanide fragments. These gaps, which are related to the energy transfer rate, properly reproduced the trend reported experimentally for the best and worst yields. Finally, the spectral overlap integral was calculated from the emission spectra of the dpq ligand and the absorption spectra of the lanthanide fragment. The obtained values are in good agreement with the quantum yields calculated for the systems. The most remarkable aspect of this protocol was its ability to explain the emission and nonemission of the studied compounds.

Internally Heated Screw Pyrolysis Reactor (IHSPR) heat transfer performance study

NASA Astrophysics Data System (ADS)

Teo, S. H.; Gan, H. L.; Alias, A.; Gan, L. M.

2018-04-01

1.5 billion end-of-life tyres (ELT) were discarded globally each year and pyrolysis is considered the best solution to convert the ELT into valuable high energy-density products. Among all pyrolysis technologies, screw reactor is favourable. However, conventional screw reactor risks plugging issue due to its lacklustre heat transfer performance. An internally heated screw pyrolysis reactor (IHSPR) was developed by local renewable energy industry, which serves as the research subject for heat transfer performance study of this particular paper. Zero-load heating test (ZLHT) was first carried out to obtain the operational parameters of the reactor, followed by the one dimensional steady-state heat transfer analysis carried out using SolidWorks Flow Simulation 2016. Experiments with feed rate manipulations and pyrolysis products analyses were conducted last to conclude the study.

Charge Versus Energy Transfer in Atomically Thin Graphene-Transition Metal Dichalcogenide van der Waals Heterostructures

NASA Astrophysics Data System (ADS)

Froehlicher, Guillaume; Lorchat, Etienne; Berciaud, Stéphane

2018-01-01

Made from stacks of two-dimensional materials, van der Waals heterostructures exhibit unique light-matter interactions and are promising for novel optoelectronic devices. The performance of such devices is governed by near-field coupling through, e.g., interlayer charge and/or energy transfer. New concepts and experimental methodologies are needed to properly describe two-dimensional heterointerfaces. Here, we report an original study of interlayer charge and energy transfer in atomically thin metal-semiconductor [i.e., graphene-transition metal dichalcogenide (TMD, here molybdenum diselenide, MoSe2 )] heterostructures using a combination of microphotoluminescence and Raman scattering spectroscopies. The photoluminescence intensity in graphene /MoSe2 is quenched by more than 2 orders of magnitude and rises linearly with the incident photon flux, demonstrating a drastically shortened (about 1 ps) room-temperature MoSe2 exciton lifetime. Key complementary insights are provided from a comprehensive analysis of the graphene and MoSe2 Raman modes, which reveals net photoinduced electron transfer from MoSe2 to graphene and hole accumulation in MoSe2 . Remarkably, the steady-state Fermi energy of graphene saturates at 290 ±15 meV above the Dirac point. This reproducible behavior is observed both in ambient air and in vacuum and is discussed in terms of intrinsic factors (i.e., band offsets) and environmental effects. In this saturation regime, balanced photoinduced flows of electrons and holes may transfer to graphene, a mechanism that effectively leads to energy transfer. Using a broad range of incident photon fluxes and diverse environmental conditions, we find that the presence of net photoinduced charge transfer has no measurable impact on the near-unity photoluminescence quenching efficiency in graphene /MoSe2 . This absence of correlation strongly suggests that energy transfer to graphene (either in the form of electron exchange or dipole-dipole interaction) is the dominant interlayer coupling mechanism between atomically thin TMDs and graphene.

Models for residential-and commercial-sector energy conservation analysis: Applications, limitations, and future potential

NASA Astrophysics Data System (ADS)

Cole, H. E.; Fuller, R. E.

1980-09-01

Four of the major models used by DOE for energy conservation analyses in the residential and commercial building sectors are reviewed and critically analyzed to determine how these models can serve as tools for DOE and its Conservation Policy Office in evaluating and quantifying their policy and program requirements. The most effective role for each model in addressing future issues of buildings energy conservation policy and analysis is assessed. The four models covered are: Oak Ridge Residential Energy Model; Micro Analysis of Transfers to Households/Comprehensive Human Resources Data System (MATH/CHRDS) Model; Oak Ridge Commercial Energy Model; and Brookhaven Buildings Energy Conservation Optimization Model (BECOM).

Ultrafast multi-pulse transient absorption spectroscopy of fucoxanthin chlorophyll a protein from Phaeodactylum tricornutum.

PubMed

West, Robert G; Bína, David; Fuciman, Marcel; Kuznetsova, Valentyna; Litvín, Radek; Polívka, Tomáš

2018-05-01

We have applied femtosecond transient absorption spectroscopy in pump-probe and pump-dump-probe regimes to study energy transfer between fucoxanthin and Chl a in fucoxanthin-Chl a complex from the pennate diatom Phaeodactylum tricornutum. Experiments were carried out at room temperature and 77 K to reveal temperature dependence of energy transfer. At both temperatures, the ultrafast (<100 fs) energy transfer channel from the fucoxanthin S 2 state is active and is complemented by the second pathway via the combined S 1 /ICT state. The S 1 /ICT-Chl a pathway has two channels, the fast one characterized by sub-picosecond energy transfer, and slow having time constants of 4.5 ps at room temperature and 6.6 ps at 77 K. The overall energy transfer via the S 1 /ICT is faster at 77 K, because the fast component gains amplitude upon lowering the temperature. The pump-dump-probe regime, with the dump pulse centered in the spectral region of ICT stimulated emission at 950 nm and applied at 2 ps after excitation, proved that the S 1 and ICT states of fucoxanthin in FCP are individual, yet coupled entities. Analysis of the pump-dump-probe data suggested that the main energy donor in the slow S 1 /ICT-Chl a route is the S 1 part of the S 1 /ICT potential surface. Copyright © 2018 Elsevier B.V. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cao, Lingyun; Lin, Zekai; Shi, Wenjie

The dimensionality dependency of resonance energy transfer is of great interest due to its importance in understanding energy transfer on cell membranes and in low-dimension nanostructures. Light harvesting two-dimensional metal–organic layers (2D-MOLs) and three-dimensional metal–organic frameworks (3D-MOFs) provide comparative models to study such dimensionality dependence with molecular accuracy. Here we report the construction of 2D-MOLs and 3D-MOFs from a donor ligand 4,4',4''-(benzene-1,3,5-triyl-tris(ethyne-2,1-diyl))tribenzoate (BTE) and a doped acceptor ligand 3,3',3''-nitro-4,4',4''-(benzene-1,3,5-triyl-tris(ethyne-2,1-diyl))tribenzoate (BTE-NO2). These 2D-MOLs and 3D-MOFs are connected by similar hafnium clusters, with key differences in the topology and dimensionality of the metal–ligand connection. Energy transfer from donors to acceptors through themore » 2D-MOL or 3D-MOF skeletons is revealed by measuring and modeling the fluorescence quenching of the donors. We found that energy transfer in 3D-MOFs is more efficient than that in 2D-MOLs, but excitons on 2D-MOLs are more accessible to external quenchers as compared with those in 3D-MOFs. These results not only provide support to theoretical analysis of energy transfer in low dimensions, but also present opportunities to use efficient exciton migration in 2D materials for light-harvesting and fluorescence sensing.« less

Baroclinic Instability and Energy Transfer underlying the Kuroshio eddy shedding process in Luzon Strait

NASA Astrophysics Data System (ADS)

Lu, J.

2016-02-01

The Kuroshio eddy shedding in Luzon Strait has been intensively studied, due to its important role in the energy budgets of the special gap-passing western boundary current and its potential influence to South China Sea. In this study, the eddy-mean flow interaction is first diagnosed with two classical "stationary" methods. Both show that, in a "time-averaged" sense, baroclinic instability and energy transfer provides the energy source for Kuroshio anticyclonic eddy shedding and the accompanied cyclonic eddy growth in Luzon Strait (this eddy pair will be called AC/C-Es for short). To take into account the "nonstationary and intermittent" nature, the temporal evolutions of energy transfer during a typical Kuroshio eddy shedding process are investigated using the localized multi-scale-window energy and vorticity analysis, or MS-EVA for short. Two stages are roughly distinguished according to the evolutionary nature of this process: the growing stage and the shedding stage. In the growing stage, the energy source straddles both the AC/C-Es, indicating mean flow supplies potential energy to both AC/C-Es for growth; the energy transfer hot spot persistently strengthens and expands horizontally as well as vertically from 200-300m to 100-400m depth range, culminating in a maximum of approximately 1.5×10-7 m2s-3. In the shedding stage, the energy source moves onto the accompanied cyclonic eddy, i.e., the mean flow now supplies energy mainly to the cyclonic eddy, making it strong enough to cut off the anticyclonic eddy from Kuroshio, leading to the Kuroshio eddy shedding.

Second law analysis of a conventional steam power plant

NASA Technical Reports Server (NTRS)

Liu, Geng; Turner, Robert H.; Cengel, Yunus A.

1993-01-01

A numerical investigation of exergy destroyed by operation of a conventional steam power plant is computed via an exergy cascade. An order of magnitude analysis shows that exergy destruction is dominated by combustion and heat transfer across temperature differences inside the boiler, and conversion of energy entering the turbine/generator sets from thermal to electrical. Combustion and heat transfer inside the boiler accounts for 53.83 percent of the total exergy destruction. Converting thermal energy into electrical energy is responsible for 41.34 percent of the total exergy destruction. Heat transfer across the condenser accounts for 2.89 percent of the total exergy destruction. Fluid flow with friction is responsible for 0.50 percent of the total exergy destruction. The boiler feed pump turbine accounts for 0.25 percent of the total exergy destruction. Fluid flow mixing is responsible for 0.23 percent of the total exergy destruction. Other equipment including gland steam condenser, drain cooler, deaerator and heat exchangers are, in the aggregate, responsible for less than one percent of the total exergy destruction. An energy analysis is also given for comparison of exergy cascade to energy cascade. Efficiencies based on both the first law and second law of thermodynamics are calculated for a number of components and for the plant. The results show that high first law efficiency does not mean high second law efficiency. Therefore, the second law analysis has been proven to be a more powerful tool in pinpointing real losses. The procedure used to determine total exergy destruction and second law efficiency can be used in a conceptual design and parametric study to evaluate the performance of other steam power plants and other thermal systems.

Morphology-induced defects enhance lipid transfer rates

DOE PAGES

Xia, Yan; Charubin, Kamil; Marquardt, Drew; ...

2016-08-25

Molecular transfer between nanoparticles has been considered to have important implications regarding nanoparticle stability. Recently, the interparticle spontaneous lipid transfer rate constant for discoidal bicelles was found to be very different from spherical, unilamellar vesicles (ULVs). Here, we investigate the mechanism responsible for this discrepancy. Analysis of the data indicates that lipid transfer is entropically favorable, but enthalpically unfavorable with an activation energy that is independent of bicelle size and long- to short-chain lipid molar ratio. Moreover, molecular dynamics simulations reveal a lower lipid dissociation energy cost in the vicinity of interfaces (“defects”) induced by the segregation of the long-more » and short-chain lipids in bicelles; these defects are not present in ULVs. Taken together, these results suggest that the enhanced lipid transfer observed in bicelles arises from interfacial defects as a result of the hydrophobic mismatch between the long- and short-chain lipid species. In conclusion, the observed lipid transfer rate is found to be independent of nanoparticle stability.« less

Some thermodynamic considerations on low frequency electromagnetic waves effects on cancer invasion and metastasis

NASA Astrophysics Data System (ADS)

Lucia, Umberto; Ponzetto, Antonio

2017-02-01

Cell membranes are the reason of the cell energy transfer. In cells energy transfer, thermo-electro-chemical processes and transports phenomena occur through their membranes. Cells can actively modify their behaviours in relation to any change of their environment. They waste heat into their environment. The analysis of irreversibility related to this wasted heat, to the ions transport and the related cell-environment pH changes represents a new useful approach to the study of the cells behaviour. This analysis allows also the explanation of the effects of electromagnetic fields on the cell behaviour, and to suggest how low intensity electromagnetic fields could represent a useful support to the present anticancer therapies.

Electrostatic energy of transfer and macrobond analyses of intermolecular interactions and hydration effects in protein crystals in a low ionic environment

NASA Astrophysics Data System (ADS)

Sugawara, Yoko; Hirano, Yuji; Yamamura, Shigefumi; Endo, Shigeru; Ootaki, Masanori; Matsumoto, Naoki; Takahashi, Takuya

2017-06-01

We developed an electrostatic energy of transfer (EET) analysis applicable to periodic boundary condition, including a nonrectangular unit cell. It was applied to monoclinic ribonuclease A crystallized with ethanol as a precipitant. Macrobond analysis was also carried out. Owing to the low ionic strength of the solvent region, atomic EET values were non-negligible even at long-distance points. Most of the molecular EET values-defined as the individual contribution of each surrounding molecule-were positive. The inclusion of the molecular EET values of hydration water molecules reduced the repulsive force, and the evaluation of hydration effects in protein crystals was found to be imperative.

Interaction of Kelvin waves and nonlocality of energy transfer in superfluids

NASA Astrophysics Data System (ADS)

Laurie, Jason; L'Vov, Victor S.; Nazarenko, Sergey; Rudenko, Oleksii

2010-03-01

We argue that the physics of interacting Kelvin Waves (KWs) is highly nontrivial and cannot be understood on the basis of pure dimensional reasoning. A consistent theory of KW turbulence in superfluids should be based upon explicit knowledge of their interactions. To achieve this, we present a detailed calculation and comprehensive analysis of the interaction coefficients for KW turbuelence, thereby, resolving previous mistakes stemming from unaccounted contributions. As a first application of this analysis, we derive a local nonlinear (partial differential) equation. This equation is much simpler for analysis and numerical simulations of KWs than the Biot-Savart equation, and in contrast to the completely integrable local induction approximation (in which the energy exchange between KWs is absent), describes the nonlinear dynamics of KWs. Second, we show that the previously suggested Kozik-Svistunov energy spectrum for KWs, which has often been used in the analysis of experimental and numerical data in superfluid turbulence, is irrelevant, because it is based upon an erroneous assumption of the locality of the energy transfer through scales. Moreover, we demonstrate the weak nonlocality of the inverse cascade spectrum with a constant particle-number flux and find resulting logarithmic corrections to this spectrum.

Systems Analysis and Integration Publications | Transportation Research |

Science.gov Websites

data Vehicle analysis Vehicle energy Vehicle modeling Vehicle simulation Wireless power transfer The NREL Systems Analysis and Integration Publications Systems Analysis and Integration Publications NREL publishes technical reports, fact sheets, and other documents about its systems analysis and

Energy transfer of highly vibrationally excited phenanthrene and diphenylacetylene.

PubMed

Hsu, Hsu Chen; Tsai, Ming-Tsang; Dyakov, Yuri; Ni, Chi-Kung

2011-05-14

The energy transfer between Kr atoms and highly vibrationally excited, rotationally cold phenanthrene and diphenylacetylene in the triplet state was investigated using crossed-beam/time-of-flight mass spectrometer/time-sliced velocity map ion imaging techniques. Compared to the energy transfer between naphthalene and Kr, energy transfer between phenanthrene and Kr shows a larger cross-section for vibrational to translational (V → T) energy transfer, a smaller cross-section for translational to vibrational and rotational (T → VR) energy transfer, and more energy transferred from vibration to translation. These differences are further enlarged in the comparison between naphthalene and diphenylacetylene. In addition, less complex formation and significant increases in the large V → T energy transfer probabilities, termed supercollisions in diphenylacetylene and Kr collisions were observed. The differences in the energy transfer between these highly vibrationally excited molecules are attributed to the low-frequency vibrational modes, especially those vibrations with rotation-like wide-angle motions.

Thermal plasma treatment of stormwater sediments: comparison between DC non-transferred and partially transferred arc plasma.

PubMed

Li, O L; Guo, Y; Chang, J S; Saito, N

2015-01-01

The disposal of enormous amount of stormwater sediments becomes an emerging worldwide problem. Stormwater sediments are contaminated by heavy metals, phosphorus, trace organic and hydrocarbons, and cannot be disposed without treatment. Thermal plasma decontamination technology offers a high decomposition rate in a wide range of toxic organic compound and immobilization of heavy metal. In this study, we compared the treatment results between two different modes of thermal plasma: (1) a non-transferred direct current (DC) mode and (2) a partial DC-transferred mode. The reductions of total organic carbon (TOC) were, respectively, 25% and 80% for non-transferred and partially transferred plasma, respectively. Most of the toxic organic compounds were converted majorly to CxHy. In the gaseous emission, the accumulated CxHy, CO, NO and H2S were significantly higher in partially transferred mode than in non-transferred mode. The solid analysis demonstrated that the concentrations of Ca and Fe were enriched by 500% and 40%, respectively. New chemical compositions such as KAlSi3O8, Fe3O4, NaCl and CaSO4 were formed after treatment in partially DC-transferred mode. The power inputs were 1 and 10 kW, respectively, for non-transferred DC mode and a partially DC-transferred mode. With a lower energy input, non-transferred plasma treatment can be used for decontamination of sediments with low TOC and metal concentration. Meanwhile, partially transferred thermal plasma with higher energy input is suitable for treating sediments with high TOC percentage and volatile metal concentration. The organic compounds are converted into valuable gaseous products which can be recycled as an energy source.

State-to-state rotational energy-transfer measurements in the nu(2) = 1 state of ammonia by infrared-infrared double resonance

NASA Technical Reports Server (NTRS)

Abel, Bernd; Coy, Stephen L.; Klaassen, Jody J.; Steinfeld, Jeffrey I.

1992-01-01

The state-resolved rotational (R-R, R-T) energy transfer in (N-14)H3 (for NH3-NH3 and NH3-Ar collisions) was studied using an IR double-resonance laser spectroscopic technique. Measurements of both the total rate of depopulation by collisions, and the rates of transfer into specific final rovibrational states (v,J,K) were performed using time-resolved tunable diode laser absorption spectroscopy. A kinetic master-equation analysis of time-resolved level populatons was carried out, yielding state-to-state rate constants and propensity rules for NH3-NH3 and NH3-Ar collisions.

On improving the performance of nonphotochemical quenching in CP29 light-harvesting antenna complex

NASA Astrophysics Data System (ADS)

Berman, Gennady P.; Nesterov, Alexander I.; Sayre, Richard T.; Still, Susanne

2016-03-01

We model and simulate the performance of charge-transfer in nonphotochemical quenching (NPQ) in the CP29 light-harvesting antenna-complex associated with photosystem II (PSII). The model consists of five discrete excitonic energy states and two sinks, responsible for the potentially damaging processes and charge-transfer channels, respectively. We demonstrate that by varying (i) the parameters of the chlorophyll-based dimer, (ii) the resonant properties of the protein-solvent environment interaction, and (iii) the energy transfer rates to the sinks, one can significantly improve the performance of the NPQ. Our analysis suggests strategies for improving the performance of the NPQ in response to environmental changes, and may stimulate experimental verification.

Energy transfer mechanisms in layered 2D perovskites.

PubMed

Williams, Olivia F; Guo, Zhenkun; Hu, Jun; Yan, Liang; You, Wei; Moran, Andrew M

2018-04-07

Two-dimensional (2D) perovskite quantum wells are generating broad scientific interest because of their potential for use in optoelectronic devices. Recently, it has been shown that layers of 2D perovskites can be grown in which the average thicknesses of the quantum wells increase from the back to the front of the film. This geometry carries implications for light harvesting applications because the bandgap of a quantum well decreases as its thickness increases. The general structural formula for the 2D perovskite systems under investigation in this work is (PEA) 2 (MA) n-1 [Pb n I 3n+1 ] (PEA = phenethyl ammonium, MA = methyl ammonium). Here, we examine two layered 2D perovskites with different distributions of quantum well thicknesses. Spectroscopic measurements and model calculations suggest that both systems funnel electronic excitations from the back to the front of the film through energy transfer mechanisms on the time scales of 100's of ps (i.e., energy transfer from thinner to thicker quantum wells). In addition, the model calculations demonstrate that the transient absorption spectra are composed of a progression of single exciton and biexciton resonances associated with the individual quantum wells. We find that exciton dissociation and/or charge transport dynamics make only minor contributions to the transient absorption spectra within the first 1 ns after photo-excitation. An analysis of the energy transfer kinetics indicates that the transitions occur primarily between quantum wells with values of n that differ by 1 because of the spectral overlap factor that governs the energy transfer rate. Two-dimensional transient absorption spectra reveal a pattern of resonances consistent with the dominance of sequential energy transfer dynamics.

Energy transfer mechanisms in layered 2D perovskites

NASA Astrophysics Data System (ADS)

Williams, Olivia F.; Guo, Zhenkun; Hu, Jun; Yan, Liang; You, Wei; Moran, Andrew M.

2018-04-01

Two-dimensional (2D) perovskite quantum wells are generating broad scientific interest because of their potential for use in optoelectronic devices. Recently, it has been shown that layers of 2D perovskites can be grown in which the average thicknesses of the quantum wells increase from the back to the front of the film. This geometry carries implications for light harvesting applications because the bandgap of a quantum well decreases as its thickness increases. The general structural formula for the 2D perovskite systems under investigation in this work is (PEA)2(MA)n-1[PbnI3n+1] (PEA = phenethyl ammonium, MA = methyl ammonium). Here, we examine two layered 2D perovskites with different distributions of quantum well thicknesses. Spectroscopic measurements and model calculations suggest that both systems funnel electronic excitations from the back to the front of the film through energy transfer mechanisms on the time scales of 100's of ps (i.e., energy transfer from thinner to thicker quantum wells). In addition, the model calculations demonstrate that the transient absorption spectra are composed of a progression of single exciton and biexciton resonances associated with the individual quantum wells. We find that exciton dissociation and/or charge transport dynamics make only minor contributions to the transient absorption spectra within the first 1 ns after photo-excitation. An analysis of the energy transfer kinetics indicates that the transitions occur primarily between quantum wells with values of n that differ by 1 because of the spectral overlap factor that governs the energy transfer rate. Two-dimensional transient absorption spectra reveal a pattern of resonances consistent with the dominance of sequential energy transfer dynamics.

Energy Cascade Analysis: from Subscale Eddies to Mean Flow

NASA Astrophysics Data System (ADS)

Cheikh, Mohamad Ibrahim; Wonnell, Louis; Chen, James

2017-11-01

Understanding the energy transfer between eddies and mean flow can provide insights into the energy cascade process. Much work has been done to investigate the energy cascade at the level of the smallest eddies using different numerical techniques derived from the Navier-Stokes equations. These methodologies, however, prove to be computationally inefficient when producing energy spectra for a wide range of length scales. In this regard, Morphing Continuum Theory (MCT) resolves the length-scales issues by assuming the fluid continuum to be composed of inner structures that play the role of subscale eddies. The current study show- cases the capabilities of MCT in capturing the dynamics of energy cascade at the level of subscale eddies, through a supersonic turbulent flow of Mach 2.93 over an 8× compression ramp. Analysis of the results using statistical averaging procedure shows the existence of a statistical coupling of the internal and translational kinetic energy fluctuations with the corresponding rotational kinetic energy of the subscale eddies, indicating a multiscale transfer of energy. The results show that MCT gives a new characterization of the energy cascade within compressible turbulence without the use of excessive computational resources. This material is based upon work supported by the Air Force Office of Scientific Research under Award Number FA9550-17-1-0154.

Energy transfer mechanism and optoelectronic properties of (PFO/TiO2)/Fluorol 7GA nanocomposite thin films

NASA Astrophysics Data System (ADS)

Al-Asbahi, Bandar Ali

2017-10-01

Energy transfer between poly (9,9'-di-n-octylfluorenyl-2,7-diyl) (PFO) as a donor in presence of TiO2 nanoparticles (NPs) and Fluorol 7GA as an acceptor with different weight ratios has been investigated by steady-state emission measurements. Based on the absorption and fluorescence measurements, the energy transfer properties, such as quenching rate constant (kSV), energy transfer rate constant (kET), quantum yield (ϕDA), and lifetime (τDA), of the donor in the presence of the acceptor, energy transfer probability (PDA), energy transfer efficiency (η), energy transfer time (τET), and critical distance of the energy transfer (Ro) were calculated. Förster-type energy transfer between the excited donor and ground-state acceptor molecules was the dominant mechanism responsible for the energy transfer as evidenced by large values of kSV, kET, and Ro. Moreover, these composite materials were employed as an emissive layer in organic light-emitting diodes (OLEDs). Additionally, the optoelectronic properties of OLEDs were investigated in terms of current density-voltage characteristics and electroluminescence spectra.

Efficient Power-Transfer Capability Analysis of the TET System Using the Equivalent Small Parameter Method.

PubMed

Yanzhen Wu; Hu, A P; Budgett, D; Malpas, S C; Dissanayake, T

2011-06-01

Transcutaneous energy transfer (TET) enables the transfer of power across the skin without direct electrical connection. It is a mechanism for powering implantable devices for the lifetime of a patient. For maximum power transfer, it is essential that TET systems be resonant on both the primary and secondary sides, which requires considerable design effort. Consequently, a strong need exists for an efficient method to aid the design process. This paper presents an analytical technique appropriate to analyze complex TET systems. The system's steady-state solution in closed form with sufficient accuracy is obtained by employing the proposed equivalent small parameter method. It is shown that power-transfer capability can be correctly predicted without tedious iterative simulations or practical measurements. Furthermore, for TET systems utilizing a current-fed push-pull soft switching resonant converter, it is found that the maximum energy transfer does not occur when the primary and secondary resonant tanks are "tuned" to the nominal resonant frequency. An optimal turning point exists, corresponding to the system's maximum power-transfer capability when optimal tuning capacitors are applied.

Optical properties, excitation energy and primary charge transfer in photosystem II: theory meets experiment.

PubMed

Renger, Thomas; Schlodder, Eberhard

2011-01-01

In this review we discuss structure-function relationships of the core complex of photosystem II, as uncovered from analysis of optical spectra of the complex and its subunits. Based on descriptions of optical difference spectra including site directed mutagenesis we propose a revision of the multimer model of the symmetrically arranged reaction center pigments, described by an asymmetric exciton Hamiltonian. Evidence is provided for the location of the triplet state, the identity of the primary electron donor, the localization of the cation and the secondary electron transfer pathway in the reaction center. We also discuss the stationary and time-dependent optical properties of the CP43 and CP47 subunits and the excitation energy transfer and trapping-by-charge-transfer kinetics in the core complex. Copyright © 2011 Elsevier B.V. All rights reserved.

Sensitized green emission of terbium with dibenzoylmethane and 1, 10 phenanthroline in polyvinyl alcohol and polyvinyl pyrrolidone blends

NASA Astrophysics Data System (ADS)

Kumar, Brijesh; Kaur, Gagandeep; Rai, S. B.

2017-12-01

Tb doped polyvinyl alcohol: polyvinyl pyrrolidone blends with dibenzoylmethane (DBM) and 1, 10 Phenanthroline (Phen) have been prepared by solution cast technique. Bond formation amongst the ligands and Tb3 + ions in the doped polymer has been confirmed employing Fourier Transform Infrared (FTIR) techniques. Optical properties of the Tb3 + ions have been investigated using UV-Vis absorption, excitation and fluorescence studies excited by different radiations. Addition of dimethylbenzoate and 1, 10 Phenanthroline to the polymer blend increases the luminescence from Tb3 + ions along with energy transfer from the polymer blend itself. Luminescence decay curve analysis affirms the non-radiative energy transfer from DBM and Phen to Tb3 + ions, which is identified as the reason behind this enhancement. The fluorescence decay time of PVA-PVP host decreases from 6.02 ns to 2.31 ns showing an evidence of energy transfer from the host blend to the complexed Tb ions. Similarly the lifetime of DBM and Phen and both in the blend reduces in the complexed system showing the feasibility of energy transfer from these excited DBM and Phen to Tb3 + and is proposed as the cause of the above observations. These entire phenomena have been explained by the energy level diagram.

Effect of pole zero location on system dynamics of boost converter for micro grid

NASA Astrophysics Data System (ADS)

Lavanya, A.; Vijayakumar, K.; Navamani, J. D.; Jayaseelan, N.

2018-04-01

Green clean energy like photo voltaic, wind energy, fuel cell can be brought together by microgrid.For low voltage sources like photovoltaic cell boost converter is very much essential. This paper explores the dynamic analysis of boost converter in a continuous conduction mode (CCM). The transient performance and stability analysis is carried out in this paper using time domain analysis and frequency domain analysis techniques. Boost converter is simulated using both PSIM and MATLAB software. Furthermore, state space model obtained and the transfer function is derived. The converter behaviour when a step input is applied is analyzed and stability of the converter is analyzed from bode plot frequency for open loop. Effect of the locations of poles and zeros in the transfer function of boost converter and how the performance parameters are affected is discussed in this paper. Closed loop performance with PI controller is also analyzed for boost converter.

Mean-Eddy-Turbulence Interaction through Canonical Transfer Analysis: Theory and Application to the Kuroshio Extension Energetics Study

NASA Astrophysics Data System (ADS)

Liang, X. S.

2016-02-01

Central at the processes of mean-eddy-turbulence interaction, e.g., mesoscale eddy shedding, relaminarization, etc., is the transfer of energy among different scales. The existing classical transfers, however, do not take into account the issue of energy conservation and, therefore, are not faithful representations of the real interaction processes, which are fundamentally a redistribution of energy among scales. Based on a new analysis machinery, namely, multiscale window transform (Liang and Anderson, 2007), we were able to obtain a formula for this important processes, with the property of energy conservation a naturally embedded property. This formula has a form reminiscent of the Poisson bracket in Hamiltonian dynamics. It has been validated with many benchmark processes, and, particularly, has been applied with success to control the eddy shedding behind a bluff body. Presented here will be an application study of the instabilities and mean-eddy interactions in the Kuroshio Extension (KE) region. Generally, it is found that the unstable KE jet fuels the mesoscale eddies, but in the offshore eddy decaying region, the cause-effect relation reverses: it is the latter that drive the former. On the whole the eddies act to decelerate the jet in the upstream, whereas accelerating it downstream.

Impact Study of Metal Fasteners in Roofing Assemblies using Three-Dimensional Heat Transfer Analysis

DOE PAGES

Singh, Manan; Gulati, Rupesh; Ravi, Srinivasan; ...

2016-11-29

Heat transfer analysis was performed on typical roofing assemblies using HEAT3, a three-dimensional heat transfer analysis software. The difference in heat transferred through the roofing assemblies considered is compared between two cases - without any steel fasteners and with steel fasteners. In the latter case, the metal roofing fasteners were arranged as per Factor Mutual Global (FMG) approvals, in the field, perimeter, and corner zones of the roof. The temperature conditions used for the analysis represented summer and winter conditions for three separate Climate Zones (CZ) namely Climate Zone 2 or CZ2 represented by Orlando, FL; CZ3 represented by Atlanta,more » GA; and CZ6 zone represented by St. Paul, MN. In all the climatic conditions, higher energy transfer was observed with increase in the number of metal fasteners attributed to high thermal conductivity of metals as compared to the insulation and other materials used in the roofing assembly. This difference in heat loss was also quantified in the form of percentage change in the overall or effective insulation of the roofing assembly for better understanding of the practical aspects. Besides, a comparison of 2D heat transfer analysis (using THERM software) and 3D analysis using HEAT3 is also discussed.« less

Impact Study of Metal Fasteners in Roofing Assemblies using Three-Dimensional Heat Transfer Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Manan; Gulati, Rupesh; Ravi, Srinivasan

Heat transfer analysis was performed on typical roofing assemblies using HEAT3, a three-dimensional heat transfer analysis software. The difference in heat transferred through the roofing assemblies considered is compared between two cases - without any steel fasteners and with steel fasteners. In the latter case, the metal roofing fasteners were arranged as per Factor Mutual Global (FMG) approvals, in the field, perimeter, and corner zones of the roof. The temperature conditions used for the analysis represented summer and winter conditions for three separate Climate Zones (CZ) namely Climate Zone 2 or CZ2 represented by Orlando, FL; CZ3 represented by Atlanta,more » GA; and CZ6 zone represented by St. Paul, MN. In all the climatic conditions, higher energy transfer was observed with increase in the number of metal fasteners attributed to high thermal conductivity of metals as compared to the insulation and other materials used in the roofing assembly. This difference in heat loss was also quantified in the form of percentage change in the overall or effective insulation of the roofing assembly for better understanding of the practical aspects. Besides, a comparison of 2D heat transfer analysis (using THERM software) and 3D analysis using HEAT3 is also discussed.« less

Quantum free energy landscapes from ab initio path integral metadynamics: Double proton transfer in the formic acid dimer is concerted but not correlated.

PubMed

Ivanov, Sergei D; Grant, Ian M; Marx, Dominik

2015-09-28

With the goal of computing quantum free energy landscapes of reactive (bio)chemical systems in multi-dimensional space, we combine the metadynamics technique for sampling potential energy surfaces with the ab initio path integral approach to treating nuclear quantum motion. This unified method is applied to the double proton transfer process in the formic acid dimer (FAD), in order to study the nuclear quantum effects at finite temperatures without imposing a one-dimensional reaction coordinate or reducing the dimensionality. Importantly, the ab initio path integral metadynamics technique allows one to treat the hydrogen bonds and concomitant proton transfers in FAD strictly independently and thus provides direct access to the much discussed issue of whether the double proton transfer proceeds via a stepwise or concerted mechanism. The quantum free energy landscape we compute for this H-bonded molecular complex reveals that the two protons move in a concerted fashion from initial to product state, yet world-line analysis of the quantum correlations demonstrates that the protons are as quantum-uncorrelated at the transition state as they are when close to the equilibrium structure.

Smooth information flow in temperature climate network reflects mass transport

NASA Astrophysics Data System (ADS)

Hlinka, Jaroslav; Jajcay, Nikola; Hartman, David; Paluš, Milan

2017-03-01

A directed climate network is constructed by Granger causality analysis of air temperature time series from a regular grid covering the whole Earth. Using winner-takes-all network thresholding approach, a structure of a smooth information flow is revealed, hidden to previous studies. The relevance of this observation is confirmed by comparison with the air mass transfer defined by the wind field. Their close relation illustrates that although the information transferred due to the causal influence is not a physical quantity, the information transfer is tied to the transfer of mass and energy.

Methods and kits for nucleic acid analysis using fluorescence resonance energy transfer

DOEpatents

Kwok, Pui-Yan; Chen, Xiangning

1999-01-01

A method for detecting the presence of a target nucleotide or sequence of nucleotides in a nucleic acid is disclosed. The method is comprised of forming an oligonucleotide labeled with two fluorophores on the nucleic acid target site. The doubly labeled oligonucleotide is formed by addition of a singly labeled dideoxynucleoside triphosphate to a singly labeled polynucleotide or by ligation of two singly labeled polynucleotides. Detection of fluorescence resonance energy transfer upon denaturation indicates the presence of the target. Kits are also provided. The method is particularly applicable to genotyping.

Energy transfers in large-scale and small-scale dynamos

NASA Astrophysics Data System (ADS)

Samtaney, Ravi; Kumar, Rohit; Verma, Mahendra

2015-11-01

We present the energy transfers, mainly energy fluxes and shell-to-shell energy transfers in small-scale dynamo (SSD) and large-scale dynamo (LSD) using numerical simulations of MHD turbulence for Pm = 20 (SSD) and for Pm = 0.2 on 10243 grid. For SSD, we demonstrate that the magnetic energy growth is caused by nonlocal energy transfers from the large-scale or forcing-scale velocity field to small-scale magnetic field. The peak of these energy transfers move towards lower wavenumbers as dynamo evolves, which is the reason for the growth of the magnetic fields at the large scales. The energy transfers U2U (velocity to velocity) and B2B (magnetic to magnetic) are forward and local. For LSD, we show that the magnetic energy growth takes place via energy transfers from large-scale velocity field to large-scale magnetic field. We observe forward U2U and B2B energy flux, similar to SSD.

Influence of acoustic impedance of multilayer acoustic systems on the transfer function of ultrasonic airborne transducers.

PubMed

Gudra, Tadeusz; Opieliński, Krzysztof J

2002-05-01

In different solutions of ultrasonic transducers radiating acoustic energy into the air there occurs the problem of the proper selection of the acoustic impedance of one or more matching layers. The goal of this work was a computer analysis of the influence of acoustic impedance on the transfer function of piezoceramic transducers equipped with matching layers. Cases of resonance and non-resonance matching impedance in relation to the transfer function and the energy transmission coefficient for solid state-air systems were analysed. With stable thickness of matching layers the required shape of the transfer function can be obtained through proper choice of acoustic impedance were built (e.g. maximal flat function). The proper choice of acoustic impedance requires an elaboration of precise methods of synthesis of matching systems. Using the known matching criteria (Chebyshev's, DeSilets', Souquet's), the transfer function characteristics of transducers equipped with one, two, and three matching layers as well as the optimisation methods of the energy transmission coefficient were presented. The influence of the backside load of the transducer on the shape of transfer function was also analysed. The calculation results of this function for different loads of the transducer backside without and with the different matching layers were presented. The proper load selection allows us to obtain the desired shape of the transfer function, which determines the pulse shape generated by the transducer.

Simple structured hybrid WOLEDs based on incomplete energy transfer mechanism: from blue exciplex to orange dopant.

PubMed

Zhang, Tianyou; Zhao, Bo; Chu, Bei; Li, Wenlian; Su, Zisheng; Yan, Xingwu; Liu, Chengyuan; Wu, Hairuo; Gao, Yuan; Jin, Fangming; Hou, Fuhua

2015-05-15

Exciplex is well known as a charge transfer state formed between electron-donating and electron-accepting molecules. However, exciplex based organic light emitting diodes (OLED) often performed low efficiencies relative to pure phosphorescent OLED and could hardly be used to construct white OLED (WOLED). In this work, a new mechanism is developed to realize efficient WOLED with extremely simple structure by redistributing the energy of triplet exciplex to both singlet exciplex and the orange dopant. The micro process of energy transfer could be directly examined by detailed photoluminescence decay measurement and time resolved photoluminescence analysis. This strategy overcomes the low reverse intersystem crossing efficiency of blue exciplex and complicated device structure of traditional WOLED, enables us to achieve efficient hybrid WOLEDs. Based on this mechanism, we have successfully constructed both exciplex-fluorescence and exciplex-phosphorescence hybrid WOLEDs with remarkable efficiencies.

Simple structured hybrid WOLEDs based on incomplete energy transfer mechanism: from blue exciplex to orange dopant

NASA Astrophysics Data System (ADS)

Zhang, Tianyou; Zhao, Bo; Chu, Bei; Li, Wenlian; Su, Zisheng; Yan, Xingwu; Liu, Chengyuan; Wu, Hairuo; Gao, Yuan; Jin, Fangming; Hou, Fuhua

2015-05-01

Exciplex is well known as a charge transfer state formed between electron-donating and electron-accepting molecules. However, exciplex based organic light emitting diodes (OLED) often performed low efficiencies relative to pure phosphorescent OLED and could hardly be used to construct white OLED (WOLED). In this work, a new mechanism is developed to realize efficient WOLED with extremely simple structure by redistributing the energy of triplet exciplex to both singlet exciplex and the orange dopant. The micro process of energy transfer could be directly examined by detailed photoluminescence decay measurement and time resolved photoluminescence analysis. This strategy overcomes the low reverse intersystem crossing efficiency of blue exciplex and complicated device structure of traditional WOLED, enables us to achieve efficient hybrid WOLEDs. Based on this mechanism, we have successfully constructed both exciplex-fluorescence and exciplex-phosphorescence hybrid WOLEDs with remarkable efficiencies.

Simple structured hybrid WOLEDs based on incomplete energy transfer mechanism: from blue exciplex to orange dopant

PubMed Central

Zhang, Tianyou; Zhao, Bo; Chu, Bei; Li, Wenlian; Su, Zisheng; Yan, Xingwu; Liu, Chengyuan; Wu, Hairuo; Gao, Yuan; Jin, Fangming; Hou, Fuhua

2015-01-01

Exciplex is well known as a charge transfer state formed between electron-donating and electron-accepting molecules. However, exciplex based organic light emitting diodes (OLED) often performed low efficiencies relative to pure phosphorescent OLED and could hardly be used to construct white OLED (WOLED). In this work, a new mechanism is developed to realize efficient WOLED with extremely simple structure by redistributing the energy of triplet exciplex to both singlet exciplex and the orange dopant. The micro process of energy transfer could be directly examined by detailed photoluminescence decay measurement and time resolved photoluminescence analysis. This strategy overcomes the low reverse intersystem crossing efficiency of blue exciplex and complicated device structure of traditional WOLED, enables us to achieve efficient hybrid WOLEDs. Based on this mechanism, we have successfully constructed both exciplex-fluorescence and exciplex-phosphorescence hybrid WOLEDs with remarkable efficiencies. PMID:25975371

Metagenomic Analyses Reveal That Energy Transfer Gene Abundances Can Predict the Syntrophic Potential of Environmental Microbial Communities.

PubMed

Oberding, Lisa; Gieg, Lisa M

2016-01-05

Hydrocarbon compounds can be biodegraded by anaerobic microorganisms to form methane through an energetically interdependent metabolic process known as syntrophy. The microorganisms that perform this process as well as the energy transfer mechanisms involved are difficult to study and thus are still poorly understood, especially on an environmental scale. Here, metagenomic data was analyzed for specific clusters of orthologous groups (COGs) related to key energy transfer genes thus far identified in syntrophic bacteria, and principal component analysis was used in order to determine whether potentially syntrophic environments could be distinguished using these syntroph related COGs as opposed to universally present COGs. We found that COGs related to hydrogenase and formate dehydrogenase genes were able to distinguish known syntrophic consortia and environments with the potential for syntrophy from non-syntrophic environments, indicating that these COGs could be used as a tool to identify syntrophic hydrocarbon biodegrading environments using metagenomic data.

Spectroscopic properties and energy transfer of Tm(3+)/Ho(3+)-codoped TeO(2)-WO(3)-ZnO glasses for 1.47mum amplifier.

PubMed

Chen, Ganxin; Zhang, Qinyuan; Cheng, Yun; Zhao, Chun; Qian, Qi; Yang, Zhongmin; Jiang, Zhonghong

2009-05-01

We report on spectroscopic properties and energy transfer of Tm(3+)/Ho(3+)-codoped tungsten tellurite glasses for 1.47microm amplifier. Fluorescence spectra and the analysis of energy transfer indicate that Ho(3+) is an excellent codopant for 1.47microm emission. Comparing with other tellurite glasses, the radiative lifetime of the (3)H(4) level of Tm(3+) in tungsten tellurite glass is slightly lower, but the spontaneous emission probability, stimulated emission cross-section and the figure of merit for bandwidth are obviously larger. Although the pump efficiency of tungsten tellurite amplifier is approximately 50% less than that of fluoride glass, the figure of merit for bandwidth is approximately three times larger in tungsten tellurite glass than in fluoride glass. The results indicate that Tm(3+)/Ho(3+)-codoped tungsten tellurite glass is attractive for broadband amplifier.

Energy transfer between Eu-Mn and photoluminescence properties of Ba0.75Al11O17.25-BaMgAl10O17:Eu2+,Mn2+ solid solution

NASA Astrophysics Data System (ADS)

Zhou, Jun; Wang, Yuhua; Liu, Bitao; Li, Feng

2010-08-01

In order to evaluate the energy transfer between Eu-Mn in Ba0.75Al11O17.25-BaMgAl10O17 solid solution, Ba0.75Al11O17.25-BaMgAl10O17:Eu2+,Mn2+ phosphors were prepared by flux method. The crystal structure and the morphology of the solid solution were demonstrated by x-ray dirrfactometer and scanning electron microscopy. The photoluminescence mechanisms were explained by the energy transfer of Eu2+ to Mn2+ and the Dexter theory. A redshift of green emission peak and a decrease in decay time with the increase in Mn2+ concentration were observed. These phenomena are attributed to the formation of Mn2+ paired centers after analysis by a method of Pade approximations.

Thermal Analysis of Fluidized Bed and Fixed Bed Latent Heat Thermal Storage System

NASA Astrophysics Data System (ADS)

Beemkumar, N.; Karthikeyan, A.; Shiva Keshava Reddy, Kota; Rajesh, Kona; Anderson, A.

2017-05-01

Thermal energy storage technology is essential because its stores available energy at low cost. Objective of the work is to store the thermal energy in a most efficient method. This work is deal with thermal analysis of fluidized bed and fixed bed latent heat thermal storage (LHTS) system with different encapsulation materials (aluminium, brass and copper). D-Mannitol has been used as phase change material (PCM). Encapsulation material which is in orbicular shape with 4 inch diameter and 2 mm thickness orbicular shaped product is used. Therminol-66 is used as a heat transfer fluid (HTF). Arrangement of encapsulation material is done in two ways namely fluidized bed and fixed bed thermal storage system. Comparison was made between the performance of fixed bed and fluidized bed with different encapsulation material. It is observed that from the economical point of view aluminium in fluidized bed LHTS System has highest efficiency than copper and brass. The thermal energy storage system can be analyzed with fixed bed by varying mass flow rate of oil paves a way to find effective heat energy transfer.

Successful recruiting strategies for geoscience degrees and careers at the two-year college: An example from Metropolitan Community College - Kansas City

NASA Astrophysics Data System (ADS)

Wolfe, B.

2012-12-01

The overwhelming majority of students at 2-year colleges take geoscience courses (e.g. physical geology or physical geography) to fulfill part of the general education requirements of the Associates in Arts degree or General Education certificates for transfer to a 4-year school. It is common in community college earth science programs to have a relatively small number of students continuing on to major in geoscience programs at their transfer 4-year institution. To increase interest and retention in geosciences courses, we have developed a two prong approach - one aimed at students looking to transfer to a 4-year institution and the other aimed at students in the often overlooked career and technical education (CTE) programs. In the case of transfer students, we employ a "high touch" approach in introductory Physical Geology courses. This includes raising awareness of geoscience related careers combined with faculty mentor and advisor activities for students who express interest in science on their admission forms or in discussions of potential careers in science in first-year experience courses. Faculty mentorships have been very effective, not only in recruiting students to consider careers in geology, but also in advising a curriculum for students necessary to be successful upon transfer to a 4-year institution (such as completing college level chemistry, physics, and calculus courses prior to transfer). The second approach focuses on students pursuing certificates and degrees in CTE energy-related programs (such as HVAC, industrial engineering technology, electrician, and utility linemen). To increase awareness of vocational related geoscience careers, many of which require a good foundation in the vocational training students are currently pursing, we developed a foundation energy course - Energy and the Environment - which fulfills both the science general education component of the AA degree for students looking to transfer as well as CTE students. The curriculum focuses on fundamental concepts of energy generation and environmental impact, including analysis of energy fundamentals, fossil fuel exploration and use, atmospheric pollution, global climate change, nuclear energy, alternative energy sources, and energy conservation, all of which are directly related to geologic processes. This new course is part of newly created energy certificate programs in Photovoltaics, energy efficiency, and solar thermal - with the intention of expanding to AAS degrees in each.

Alkylation effects on the energy transfer of highly vibrationally excited naphthalene.

PubMed

Hsu, Hsu Chen; Tsai, Ming-Tsang; Dyakov, Yuri A; Ni, Chi-Kung

2011-11-04

The energy transfer of highly vibrationally excited isomers of dimethylnaphthalene and 2-ethylnaphthalene in collisions with krypton were investigated using crossed molecular beam/time-of-flight mass spectrometer/time-sliced velocity map ion imaging techniques at a collision energy of approximately 300 cm(-1). Angular-resolved energy-transfer distribution functions were obtained directly from the images of inelastic scattering. The results show that alkyl-substituted naphthalenes transfer more vibrational energy to translational energy than unsubstituted naphthalene. Alkylation enhances the V→T energy transfer in the range -ΔE(d)=-100~-1500 cm(-1) by approximately a factor of 2. However, the maximum values of V→T energy transfer for alkyl-substituted naphthalenes are about 1500~2000 cm(-1), which is similar to that of naphthalene. The lack of rotation-like wide-angle motion of the aromatic ring and no enhancement in very large V→T energy transfer, like supercollisions, indicates that very large V→T energy transfer requires special vibrational motions. This transfer cannot be achieved by the low-frequency vibrational motions of alkyl groups. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Alpha-transfer reactions with large energy transfers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Froehlich, H.; Shimoda, T.; Ishihara, M.

1979-06-04

Alpha-transfer reactions (/sup 20/Ne,/sup 16/O), (/sup 14/N,/sup 10/B), and (/sup 13/C,/sup 9/Be) on a /sup 40/Ca target were studied at 262, 153, 149 MeV, respectively. Analysis in terms of the direction-reaction theory reproduced the observed continuum spectra and angular distributions well, except for the cross section of the reaction (/sup 20/Ne,/sup 16/O) at small angles, which is attributed to a projectile breakup process.

Transition-density-fragment interaction combined with transfer integral approach for excitation-energy transfer via charge-transfer states

NASA Astrophysics Data System (ADS)

Fujimoto, Kazuhiro J.

2012-07-01

A transition-density-fragment interaction (TDFI) combined with a transfer integral (TI) method is proposed. The TDFI method was previously developed for describing electronic Coulomb interaction, which was applied to excitation-energy transfer (EET) [K. J. Fujimoto and S. Hayashi, J. Am. Chem. Soc. 131, 14152 (2009)] and exciton-coupled circular dichroism spectra [K. J. Fujimoto, J. Chem. Phys. 133, 124101 (2010)]. In the present study, the TDFI method is extended to the exchange interaction, and hence it is combined with the TI method for applying to the EET via charge-transfer (CT) states. In this scheme, the overlap correction is also taken into account. To check the TDFI-TI accuracy, several test calculations are performed to an ethylene dimer. As a result, the TDFI-TI method gives a much improved description of the electronic coupling, compared with the previous TDFI method. Based on the successful description of the electronic coupling, the decomposition analysis is also performed with the TDFI-TI method. The present analysis clearly shows a large contribution from the Coulomb interaction in most of the cases, and a significant influence of the CT states at the small separation. In addition, the exchange interaction is found to be small in this system. The present approach is useful for analyzing and understanding the mechanism of EET.

Energy transfer in compressible magnetohydrodynamic turbulence for isothermal self-gravitating fluids

NASA Astrophysics Data System (ADS)

Banerjee, Supratik; Kritsuk, Alexei G.

2018-02-01

Three-dimensional, compressible, magnetohydrodynamic turbulence of an isothermal, self-gravitating fluid is analyzed using two-point statistics in the asymptotic limit of large Reynolds numbers (both kinetic and magnetic). Following an alternative formulation proposed by Banerjee and Galtier [Phys. Rev. E 93, 033120 (2016), 10.1103/PhysRevE.93.033120; J. Phys. A: Math. Theor. 50, 015501 (2017), 10.1088/1751-8113/50/1/015501], an exact relation has been derived for the total energy transfer. This approach results in a simpler relation expressed entirely in terms of mixed second-order structure functions. The kinetic, thermodynamic, magnetic, and gravitational contributions to the energy transfer rate can be easily separated in the present form. By construction, the new formalism includes such additional effects as global rotation, the Hall term in the induction equation, etc. The analysis shows that solid-body rotation cannot alter the energy flux rate of compressible turbulence. However, the contribution of a uniform background magnetic field to the flux is shown to be nontrivial unlike in the incompressible case. Finally, the compressible, turbulent energy flux rate does not vanish completely due to simple alignments, which leads to a zero turbulent energy flux rate in the incompressible case.

Impact of Temperature and Non-Gaussian Statistics on Electron Transfer in Donor-Bridge-Acceptor Molecules.

PubMed

Waskasi, Morteza M; Newton, Marshall D; Matyushov, Dmitry V

2017-03-30

A combination of experimental data and theoretical analysis provides evidence of a bell-shaped kinetics of electron transfer in the Arrhenius coordinates ln k vs 1/T. This kinetic law is a temperature analogue of the familiar Marcus bell-shaped dependence based on ln k vs the reaction free energy. These results were obtained for reactions of intramolecular charge shift between the donor and acceptor separated by a rigid spacer studied experimentally by Miller and co-workers. The non-Arrhenius kinetic law is a direct consequence of the solvent reorganization energy and reaction driving force changing approximately as hyperbolic functions with temperature. The reorganization energy decreases and the driving force increases when temperature is increased. The point of equality between them marks the maximum of the activationless reaction rate. Reaching the consistency between the kinetic and thermodynamic experimental data requires the non-Gaussian statistics of the donor-acceptor energy gap described by the Q-model of electron transfer. The theoretical formalism combines the vibrational envelope of quantum vibronic transitions with the Q-model describing the classical component of the Franck-Condon factor and a microscopic solvation model of the solvent reorganization energy and the reaction free energy.

Energy transfer in compressible magnetohydrodynamic turbulence for isothermal self-gravitating fluids.

PubMed

Banerjee, Supratik; Kritsuk, Alexei G

2018-02-01

Three-dimensional, compressible, magnetohydrodynamic turbulence of an isothermal, self-gravitating fluid is analyzed using two-point statistics in the asymptotic limit of large Reynolds numbers (both kinetic and magnetic). Following an alternative formulation proposed by Banerjee and Galtier [Phys. Rev. E 93, 033120 (2016)2470-004510.1103/PhysRevE.93.033120; J. Phys. A: Math. Theor. 50, 015501 (2017)1751-811310.1088/1751-8113/50/1/015501], an exact relation has been derived for the total energy transfer. This approach results in a simpler relation expressed entirely in terms of mixed second-order structure functions. The kinetic, thermodynamic, magnetic, and gravitational contributions to the energy transfer rate can be easily separated in the present form. By construction, the new formalism includes such additional effects as global rotation, the Hall term in the induction equation, etc. The analysis shows that solid-body rotation cannot alter the energy flux rate of compressible turbulence. However, the contribution of a uniform background magnetic field to the flux is shown to be nontrivial unlike in the incompressible case. Finally, the compressible, turbulent energy flux rate does not vanish completely due to simple alignments, which leads to a zero turbulent energy flux rate in the incompressible case.

Theoretical Investigation of Charge Transfer in Metal Organic Frameworks for Electrochemical Device Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patwardhan, Sameer; Schatz, George C.

For electrochemical device applications metal organic frameworks (MOFs) must exhibit suitable conduction properties. To this end, we have performed computational studies of intermolecular charge transfer in MOFs consisting of hexa-ZrIV nodes and tetratopic carboxylate linkers. This includes an examination of the electronic structure of linkers that are derived from tetraphenyl benzene 1, tetraphenyl pyrene 2, and tetraphenyl porphyrin 3 molecules. These results are used to determine charge transfer propensities in MOFs, within the framework of Marcus theory, including an analysis of the key parameters (charge transfer integral t, reorganization energy λ, and free energy change ΔG0) and evaluation of figuresmore » of merit for charge transfer based on the chemical structures of the linkers. This qualitative analysis indicates that delocalization of the HOMO/LUMO on terminal substituents increases t and decreases λ, while weaker binding to counterions decreases ΔG0, leading to better charge transfer propensity. Subsequently, we study hole transfer in the linker 2 containing MOFs, NU-901 and NU-1000, in detail and describe mechanisms (hopping and superexchange) that may be operative under different electrochemical conditions. Comparisons with experiment are provided where available. On the basis of the redox and catalytic activity of nodes and linkers, we propose three possible schemes for constructing electrochemical devices for catalysis. We believe that the results of this study will lay the foundation for future experimental work on this topic.« less

Antineutrino Charged-Current Reactions on Hydrocarbon with Low Momentum Transfer

NASA Astrophysics Data System (ADS)

Gran, R.; Betancourt, M.; Elkins, M.; Rodrigues, P. A.; Akbar, F.; Aliaga, L.; Andrade, D. A.; Bashyal, A.; Bellantoni, L.; Bercellie, A.; Bodek, A.; Bravar, A.; Budd, H.; Vera, G. F. R. Caceres; Cai, T.; Carneiro, M. F.; Coplowe, D.; da Motta, H.; Dytman, S. A.; Díaz, G. A.; Felix, J.; Fields, L.; Fine, R.; Gallagher, H.; Ghosh, A.; Haider, H.; Han, J. Y.; Harris, D. A.; Henry, S.; Jena, D.; Kleykamp, J.; Kordosky, M.; Le, T.; Leistico, J. R.; Lovlein, A.; Lu, X.-G.; Maher, E.; Manly, S.; Mann, W. A.; Marshall, C. M.; McFarland, K. S.; McGowan, A. M.; Messerly, B.; Miller, J.; Mislivec, A.; Morfín, J. G.; Mousseau, J.; Naples, D.; Nelson, J. K.; Nguyen, C.; Norrick, A.; Nuruzzaman, Olivier, A.; Paolone, V.; Patrick, C. E.; Perdue, G. N.; Ramírez, M. A.; Ransome, R. D.; Ray, H.; Ren, L.; Rimal, D.; Ruterbories, D.; Schellman, H.; Salinas, C. J. Solano; Su, H.; Sultana, M.; Falero, S. Sánchez; Valencia, E.; Wolcott, J.; Wospakrik, M.; Yaeggy, B.; Minerva Collaboration

2018-06-01

We report on multinucleon effects in low momentum transfer (<0.8 GeV /c ) antineutrino interactions on plastic (CH) scintillator. These data are from the 2010-2011 antineutrino phase of the MINERvA experiment at Fermilab. The hadronic energy spectrum of this inclusive sample is well described when a screening effect at a low energy transfer and a two-nucleon knockout process are added to a relativistic Fermi gas model of quasielastic, Δ resonance, and higher resonance processes. In this analysis, model elements introduced to describe previously published neutrino results have quantitatively similar benefits for this antineutrino sample. We present the results as a double-differential cross section to accelerate the investigation of alternate models for antineutrino scattering off nuclei.

On improving the performance of nonphotochemical quenching in CP29 light-harvesting antenna complex

DOE PAGES

Berman, Gennady Petrovich; Nesterov, Alexander I.; Sayre, Richard Thomas; ...

2016-02-02

In this study, we model and simulate the performance of charge-transfer in nonphotochemical quenching (NPQ) in the CP29 light-harvesting antenna-complex associated with photosystem II (PSII). The model consists of five discrete excitonic energy states and two sinks, responsible for the potentially damaging processes and charge-transfer channels, respectively. We demonstrate that by varying (i) the parameters of the chlorophyll-based dimer, (ii) the resonant properties of the protein-solvent environment interaction, and (iii) the energy transfer rates to the sinks, one can significantly improve the performance of the NPQ. In conclusion, our analysis suggests strategies for improving the performance of the NPQ inmore » response to environmental changes, and may stimulate experimental verification.« less

Heat transfer simulation of unsteady swirling flow in a vortex tube

NASA Astrophysics Data System (ADS)

Veretennikov, S. V.; Piralishvili, Sh A.; Evdokimov, O. A.; Guryanov, A. I.

2018-03-01

Effectiveness of not-adiabatic vortex tube application in the cooling systems of gas turbine blades depends on characteristics of swirling flows formed in the energy separation chamber. An analysis of the flow structure in the vortex tube channels has shown a presence of a complex three-dimensional spiral vortex, formed under relatively high turbulence intensity and vortex core precession. This indicates the presence of a significant unsteady flow in the energy separation chamber of the vortex tube that has a great influence on convective heat transfer of the swirling flow to the inner surface of tube. The paper contains the results of investigation of gas dynamics and heat transfer in the vortex tube taking into account the flow unsteadiness.

Antineutrino Charged-Current Reactions on Hydrocarbon with Low Momentum Transfer.

PubMed

Gran, R; Betancourt, M; Elkins, M; Rodrigues, P A; Akbar, F; Aliaga, L; Andrade, D A; Bashyal, A; Bellantoni, L; Bercellie, A; Bodek, A; Bravar, A; Budd, H; Vera, G F R Caceres; Cai, T; Carneiro, M F; Coplowe, D; da Motta, H; Dytman, S A; Díaz, G A; Felix, J; Fields, L; Fine, R; Gallagher, H; Ghosh, A; Haider, H; Han, J Y; Harris, D A; Henry, S; Jena, D; Kleykamp, J; Kordosky, M; Le, T; Leistico, J R; Lovlein, A; Lu, X-G; Maher, E; Manly, S; Mann, W A; Marshall, C M; McFarland, K S; McGowan, A M; Messerly, B; Miller, J; Mislivec, A; Morfín, J G; Mousseau, J; Naples, D; Nelson, J K; Nguyen, C; Norrick, A; Nuruzzaman; Olivier, A; Paolone, V; Patrick, C E; Perdue, G N; Ramírez, M A; Ransome, R D; Ray, H; Ren, L; Rimal, D; Ruterbories, D; Schellman, H; Salinas, C J Solano; Su, H; Sultana, M; Falero, S Sánchez; Valencia, E; Wolcott, J; Wospakrik, M; Yaeggy, B

2018-06-01

We report on multinucleon effects in low momentum transfer (<0.8  GeV/c) antineutrino interactions on plastic (CH) scintillator. These data are from the 2010-2011 antineutrino phase of the MINERvA experiment at Fermilab. The hadronic energy spectrum of this inclusive sample is well described when a screening effect at a low energy transfer and a two-nucleon knockout process are added to a relativistic Fermi gas model of quasielastic, Δ resonance, and higher resonance processes. In this analysis, model elements introduced to describe previously published neutrino results have quantitatively similar benefits for this antineutrino sample. We present the results as a double-differential cross section to accelerate the investigation of alternate models for antineutrino scattering off nuclei.

Parametric study of rock pile thermal storage for solar heating and cooling phase 1

NASA Technical Reports Server (NTRS)

Saha, H.

1977-01-01

The test data and an analysis were presented, of heat transfer characteristics of a solar thermal energy storage bed utilizing water filled cans as the energy storage medium. An attempt was made to optimize can size, can arrangement, and bed flow rates by experimental and analytical means. Liquid filled cans, as storage media, utilize benefits of both solids like rocks, and liquids like water. It was found that this combination of solid and liquid media shows unique heat transfer and heat content characteristics and is well suited for use with solar air systems for space and hot water heating. An extensive parametric study was made of heat transfer characteristics of rocks, of other solids, and of solid containers filled with liquids.

Parallel Large-scale Semidefinite Programming for Strong Electron Correlation: Using Correlation and Entanglement in the Design of Efficient Energy-Transfer Mechanisms

DTIC Science & Technology

2014-09-24

which nature uses strong electron correlation for efficient energy transfer, particularly in photosynthesis and bioluminescence, (ii) providing an...strong electron correlation for efficient energy transfer, particularly in photosynthesis and bioluminescence, (ii) providing an innovative paradigm...efficient energy transfer, particularly in photosynthesis and bioluminescence, (ii) providing an innovative paradigm for energy transfer in photovoltaic

10 CFR 1000.1 - Transfer of proceedings.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Transfer of proceedings. 1000.1 Section 1000.1 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) TRANSFER OF PROCEEDINGS TO THE SECRETARY OF ENERGY AND THE FEDERAL ENERGY REGULATORY COMMISSION § 1000.1 Transfer of proceedings. (a) Scope. This part establishes the...

Computational study of effects of tension imbalance on phonation in a three-dimensional tubular larynx model.

PubMed

Xue, Qian; Zheng, Xudong; Mittal, Rajat; Bielamowicz, Steven

2014-07-01

The present study explores the use of a continuum-based computational model to investigate the effect of left-right tension imbalance on vocal fold (VF) vibrations and glottal aerodynamics, as well as its implication on phonation. The study allows us to gain new insights into the underlying physical mechanism of irregularities induced by VF tension imbalance associated with unilateral cricothyroid muscle paralysis. A three-dimensional simulation of glottal flow and VF dynamics in a tubular laryngeal model with tension imbalance was conducted by using a coupled flow-structure interaction computational model. Tension imbalance was modeled by reducing by 20% the Young's modulus of one of the VFs, while holding VF length constant. Effects of tension imbalance on vibratory characteristic of the VFs and on the time-varying properties of glottal airflow as well as the aerodynamic energy transfer are comprehensively analyzed. The analysis demonstrates that the continuum-based biomechanical model can provide a good description of phonatory dynamics in tension imbalance conditions. It is found that although 20% tension imbalance does not have noticeable effects on the fundamental frequency, it does lead to a larger glottal flow leakage and asymmetric vibrations of the two VFs. A detailed analysis of the energy transfer suggests that the majority of the energy is consumed by the lateral motion of the VFs and the net energy transferred to the softer fold is less than the one transferred to the normal fold. Copyright © 2014 The Voice Foundation. Published by Mosby, Inc. All rights reserved.

Quenching And Luminescence Efficiency Of Nd3+ In YAG

NASA Astrophysics Data System (ADS)

Lupei, Voicu; Lupei, Aurelia; Georgescu, Serban; Ionescu, Christian I.; Yen, William M.

1989-05-01

The effect of the concentration luminescence quenching of the 4F 3/2, level of Nd3+ in YAG on the relative efficiency is presented. Based on the analysis of the decay curves in terms of the energy transfer theory, an analytical expression for the relative luminescence efficiency is obtained. In the low concentration range (up to q,1.5 at % Nd3+), the efficiency linearly decreases when Nd3+ concentration increases. It is also stressed that pairs quenching contribute about 20 % to the nonradiative energy transfer losses. Quantum efficiency of luminescence is an important parameter for the characterization of laser active media; its lowering is due to either multiphonon relaxation or energy transfer processes. The multiphonon non-radiative probability depends on the energy gap between levels, on the phonon energy and temperature; usually at low activator doping it is practically independent on concentration. On the other hand, energy transfer losses show a marked dependence on activator concentration, a fact that severely limits the range of useful con-centration of active centers in some laser crystals. In the YAG:Nd case the minimum energy gap between the Stark components of the 4F,I.) and the next lower level 4F15/2 is of about 4700 cm-1. Since in YAG tree phonons most effdbtively coupled to the Rare pi.th ions have an energy of 1, 700 cm-1, the probability for multiphonon relaxation from the 'F3/, level, even at room temperature, is very low and therefore for low Nd 3+ concentrations quantum efficiency is expected to be close to 1.

Ionoluminescence properties of polystyrene-hosted fluorophore films induced by helium ions of energy 50-350 keV

NASA Astrophysics Data System (ADS)

Chakraborty, Subha; Huang, Mengbing

2017-10-01

We report on measurements and analysis of ionoluminescence properties of pure polystyrene films and polystyrene films doped with four types of fluorophores in low kinetic energies (50-350 keV) of ion irradiation. We have developed a theoretical model to understand the experimentally observed ionoluminescence behaviors in terms of scintillation yield from individual ion tracks, photophysical energy transfer mechanisms, and irradiation-induced defects. A comparison of the model and experimental results suggests that singlet up-conversion resulting from triplet-triplet annihilation processes may be responsible for enhanced singlet emission of the fluorophores at high ion beam flux densities. Energy transfer from the polystyrene matrix to the fluorophore molecules has been identified as an effective pathway to increasing the fluorescence efficiency in the doped scintillator films.

Performance investigation on dissipative dielectric elastomer generators with a triangular energy harvesting scheme

NASA Astrophysics Data System (ADS)

Fan, Peng; Chen, Hualing; Li, Bo; Wang, Yongquan

2017-11-01

In this letter, a theoretical framework describing an energy harvesting cycle including the loss of tension (LT) process is proposed to investigate the energy harvesting performance of a dielectric elastomer generator (DEG) with a triangular energy harvesting scheme by considering material viscosity and leakage current. As the external force that is applied to the membrane decreases, the membrane is relaxed. When the external force decreases to zero, the condition is known as LT. Then the membrane undergoing LT can further relax, which is referred to as the LT process. The LT process is usually ignored in theoretical analysis but observed from energy harvesting experiments of DEGs. It is also studied how shrinking time and transfer capacitor affect the energy conversion of a DEG. The results indicate that energy density and conversion efficiency can be simultaneously improved by choosing appropriate shrinking time and transfer capacitor to optimize the energy harvesting cycle. The results and methods are expected to provide guidelines for the optimal design and assessment of DEGs.

Near infrared bioluminescence resonance energy transfer from firefly luciferase—quantum dot bionanoconjugates

NASA Astrophysics Data System (ADS)

Alam, Rabeka; Karam, Liliana M.; Doane, Tennyson L.; Zylstra, Joshua; Fontaine, Danielle M.; Branchini, Bruce R.; Maye, Mathew M.

2014-12-01

The bioluminescence resonance energy transfer (BRET) between firefly luciferase enzymes and semiconductive quantum dots (QDs) with near infrared emission is described. The QD were phase transferred to aqueous buffers using a histidine mediated phase transfer route, and incubated with a hexahistidine tagged, green emitting variant of firefly luciferase from Photinus pyralis (PPyGRTS). The PPyGRTS were bound to the QD interface via the hexahistidine tag, which effectively displaces the histidine layer and binds directly to the QD interfaces, allowing for short donor-acceptor distances (˜5.5 nm). Due to this, high BRET efficiency ratios of ˜5 were obtained. These PPyGRTS-QD bio-nano conjugates were characterized by transmission electron microscopy, thermal gravimetric analysis, Fourier transform infrared spectroscopy and BRET emission studies. The final optimized conjugate was easily observable by night vision imaging, demonstrating the potential of these materials in imaging and signaling/sensing applications.

NECAP 4.1: NASA's Energy-Cost Analysis Program input manual

NASA Technical Reports Server (NTRS)

Jensen, R. N.

1982-01-01

The computer program NECAP (NASA's Energy Cost Analysis Program) is described. The program is a versatile building design and energy analysis tool which has embodied within it state of the art techniques for performing thermal load calculations and energy use predictions. With the program, comparisons of building designs and operational alternatives for new or existing buildings can be made. The major feature of the program is the response factor technique for calculating the heat transfer through the building surfaces which accounts for the building's mass. The program expands the response factor technique into a space response factor to account for internal building temperature swings; this is extremely important in determining true building loads and energy consumption when internal temperatures are allowed to swing.

Bio-Inspired Photon Absorption and Energy Transfer for Next Generation Photovoltaic Devices

NASA Astrophysics Data System (ADS)

Magsi, Komal

Nature's solar energy harvesting system, photosynthesis, serves as a model for photon absorption, spectra broadening, and energy transfer. Photosynthesis harvests light far differently than photovoltaic cells. These differences offer both engineering opportunity and scientific challenges since not all of the natural photon absorption mechanisms have been understood. In return, solar cells can be a very sensitive probe for the absorption characteristics of molecules capable of transferring charge to a conductive interface. The objective of this scientific work is the advancement of next generation photovoltaics through the development and application of natural photo-energy transfer processes. Two scientific methods were used in the development and application of enhancing photon absorption and transfer. First, a detailed analysis of photovoltaic front surface fluorescent spectral modification and light scattering by hetero-structure was conducted. Phosphor based spectral down-conversion is a well-known laser technology. The theoretical calculations presented here indicate that parasitic losses and light scattering within the spectral range are large enough to offset any expected gains. The second approach for enhancing photon absorption is based on bio-inspired mechanisms. Key to the utilization of these natural processes is the development of a detailed scientific understanding and the application of these processes to cost effective systems and devices. In this work both aspects are investigated. Dye type solar cells were prepared and tested as a function of Chlorophyll (or Sodium-Copper Chlorophyllin) and accessory dyes. Forster has shown that the fluorescence ratio of Chlorophyll is modified and broadened by separate photon absorption (sensitized absorption) through interaction with nearby accessory pigments. This work used the dye type solar cell as a diagnostic tool by which to investigate photon absorption and photon energy transfer. These experiments shed some doubt on the Foster Resonant Energy Transfer mechanism since energy relay dye architecture-photosensitizer mixtures do not broaden the response of solar cells. Spectral absorption characterization of chromophore-Chlorophyll solutions in varying solvent polarity confirm the lack of cooperative absorption via a Foster-like mechanism and point the way to new concepts of cooperative absorption in natural systems and the development of a new photovoltaic paradigm.

Role of B800 in carotenoid-bacteriochlorophyll energy and electron transfer in LH2 complexes from the purple bacterium Rhodobacter sphaeroides.

PubMed

Polívka, Tomas; Niedzwiedzki, Dariusz; Fuciman, Marcel; Sundström, Villy; Frank, Harry A

2007-06-28

The role of the B800 in energy and electron transfer in LH2 complexes has been studied using femtosecond time-resolved transient absorption spectroscopy. The B800 site was perturbed by application of lithium dodecyl sulfate (LDS), and comparison of treated and untreated LH2 complexes from Rhodobacter sphaeroides incorporating carotenoids neurosporene, spheroidene, and spheroidenone was used to explore the role of B800 in carotenoid to bacteriochlorophyll-a (BChla) energy transfer and carotenoid radical formation. Efficiencies of the S1-mediated energy transfer in the LDS-treated complexes were 86, 61, and 57% in the LH2 complexes containing neurosporene, spheroidene, and spheroidenone, respectively. Analysis of the carotenoid S1 lifetimes in solution, LDS-treated, and untreated LH2 complexes allowed determination of B800/B850 branching ratio in the S1-mediated energy transfer. It is shown that B800 is a major acceptor, as approximately 60% of the energy from the carotenoid S1 state is accepted by B800. This value is nearly independent of conjugation length of the carotenoid. In addition to its role in energy transfer, the B800 BChla is the only electron acceptor in the event of charge separation between carotenoid and BChla in LH2 complexes, which is demonstrated by prevention of carotenoid radical formation in the LDS-treated LH2 complexes. In the untreated complexes containing neurosporene and spheroidene, the carotenoid radical is formed with a time constant of 300-400 fs. Application of different excitation wavelengths and intensity dependence of the carotenoid radical formation showed that the carotenoid radical can be formed only after excitation of the S2 state of carotenoid, although the S2 state itself is not a precursor of the charge-separated state. Instead, either a hot S1 state or a charge-transfer state lying between S2 and S1 states of the carotenoid are discussed as potential precursors of the charge-separated state.

Fluorescence Analysis of Sulfonamide Binding to Carbonic Anhydrase

ERIC Educational Resources Information Center

Wang, Sheila C.; Zamble, Deborah B.

2006-01-01

A practical laboratory experiment is described that illustrates the application of fluorescence resonance energy transfer to the study of protein-ligand binding. The affinities of wild-type and mutant human carbonic anhydrase II for dansylamide were determined by monitoring the increase in ligand fluorescence that occurs due to energy transfer…

Multinucleon transfer in O,1816,19F+208Pb reactions at energies near the fusion barrier

NASA Astrophysics Data System (ADS)

Rafferty, D. C.; Dasgupta, M.; Hinde, D. J.; Simenel, C.; Simpson, E. C.; Williams, E.; Carter, I. P.; Cook, K. J.; Luong, D. H.; McNeil, S. D.; Ramachandran, K.; Vo-Phuoc, K.; Wakhle, A.

2016-08-01

Background: Nuclear reactions are complex, involving collisions between composite systems where many-body dynamics determines outcomes. Successful models have been developed to explain particular reaction outcomes in distinct energy and mass regimes, but a unifying picture remains elusive. The irreversible transfer of kinetic energy from the relative motion of the collision partners to their internal states, as is known to occur in deep inelastic collisions, has yet to be successfully incorporated explicitly into fully quantal reaction models. The influence of these processes on fusion is not yet quantitatively understood. Purpose: To investigate the population of high excitation energies in transfer reactions at sub-barrier energies, which are precursors to deep inelastic processes, and their dependence on the internuclear separation. Methods: Transfer probabilities and excitation energy spectra have been measured in collisions of O,1816,19F+208Pb , at various energies below and around the fusion barrier, by detecting the backscattered projectile-like fragments in a Δ E -E telescope. Results: The relative yields of different transfer outcomes are strongly driven by Q values, but change with the internuclear separation. In 16O+208Pb , single nucleon transfer dominates, with a strong contribution from -2 p transfer close to the Coulomb barrier, though this channel becomes less significant in relation to the -2 p 2 n transfer channel at larger separations. For 18O+208Pb , the -2 p 2 n channel is the dominant charge transfer mode at all separations. In the reactions with 19F,-3 p 2 n transfer is significant close to the barrier, but falls off rapidly with energy. Multinucleon transfer processes are shown to lead to high excitation energies (up to ˜15 MeV), which is distinct from single nucleon transfer modes which predominantly populate states at low excitation energy. Conclusions: Kinetic energy is transferred into internal excitations following transfer, with this energy being distributed over a larger number of states and to higher excitations with increasing numbers of transferred nucleons. Multinucleon transfer is thus a mechanism by which energy can be dissipated from the relative motion before reaching the fusion barrier radius.

Pulsed laser induced heat transfer from a phthalocyanine-based thin film to a Bi, Al-substituted DyIG substrate: photothermal demagnetization observed by magnetic circular dichroism and numerical analysis.

PubMed

Karasawa, Masanobu; Ishii, Kazuyuki

2018-05-03

We have investigated the demagnetization of a ferrimagnetic substrate, Bi, Al-substituted dysprosium iron garnet (Bi0.8Dy2.2Fe4.3Al0.7O12), based on selective pulsed laser irradiation of a molecular thin film consisting of μ-oxo-bis[hydroxyl{2,9(or 10),16(or 17),23(or 24)-tetra-tert-butylphthalocyanato}silicon] ((SiPc)2) and poly(vinylidene fluoride), and succeeded in reproducing photothermal energy transfer from a molecular thin film to an inorganic magnetic substrate in a submicrometer-order and a submicrosecond time scale using numerical analysis. After the instant temperature rise due to nanosecond pulsed laser irradiation of the (SiPc)2-based film, followed by heat transfer from the film to the neighboring magnetic substrate, demagnetization of the magnetic substrate was spectroscopically monitored by the decrease in its magnetic circular dichroism (MCD) intensity. The MCD intensity decreased with increasing pulsed laser energy, which reflects the fact that the submicrometer-order region of the substrate was demagnetized as a result of temperature rise reaching high Curie temperature. This heat transfer phenomenon resulting in the demagnetization of the magnetic substrate was numerically analyzed in a submicrometer-order and a submicrosecond time scale using the finite difference method: the demagnetized regions were calculated to be the same order of magnitude as those experimentally evaluated. These results would provide a more detailed understanding of photothermal energy transfer in organic-inorganic hybrid materials, which would be useful for developing photofunctional materials.

Pre-compound emission in low-energy heavy-ion interactions

NASA Astrophysics Data System (ADS)

Sharma, Manoj Kumar; Shuaib, Mohd.; Sharma, Vijay R.; Yadav, Abhishek; Singh, Pushpendra P.; Singh, Devendra P.; Unnati; Singh, B. P.; Prasad, R.

2017-11-01

Recent experimental studies have shown the presence of pre-compound emission component in heavy ion reactions at low projectile energy ranging from 4 to 7 MeV/nucleons. In earlier measurements strength of the pre-compound component has been estimated from the difference in forward-backward distributions of emitted particles. Present measurement is a part of an ongoing program on the study of reaction dynamics of heavy ion interactions at low energies aimed at investigating the effect of momentum transfer in compound, precompound, complete and incomplete fusion processes in heavy ion reactions. In the present work on the basis of momentum transfer the measurement of the recoil range distributions of heavy residues has been used to decipher the components of compound and pre-compound emission processes in the fusion of 16O projectile with 159Tb and 169Tm targets. The analysis of recoil range distribution measurements show two distinct linear momentum transfer components corresponding to pre-compound and compound nucleus processes are involved. In order to obtain the mean input angular momentum associated with compound and pre-compound emission processes, an online measurement of the spin distributions of the residues has been performed. The analysis of spin distribution indicate that the mean input angular momentum associated with pre-compound products is found to be relatively lower than that associated with compound nucleus process. The pre-compound components obtained from the present analysis are consistent with those obtained from the analysis of excitation functions.

A quasi-classical study of energy transfer in collisions of hyperthermal H atoms with SO2 molecules.

PubMed

da Silva, Ramon S; Garrido, Juan D; Ballester, Maikel Y

2017-08-28

A deep understanding of energy transfer processes in molecular collisions is at central attention in physical chemistry. Particularly vibrational excitation of small molecules colliding with hot light atoms, via a metastable complex formation, has shown to be an efficient manner of enhancing reactivity. A quasi-classical trajectory study of translation-to-vibration energy transfer (T-V ET) in collisions of hyperthermal H( 2 S) atoms with SO 2 (X̃ 1 A ' ) molecules is presented here. For such a study, a double many-body expansion potential energy surface previously reported for HSO 2 ( 2 A) is used. This work was motivated by recent experiments by Ma et al. studying collisions of H + SO 2 at the translational energy of 59 kcal/mol [J. Ma et al., Phys. Rev. A 93, 040702 (2016)]. Calculations reproduce the experimental evidence that during majority of inelastic non-reactive collision processes, there is a metastable intermediate formation (HOSO or HSO 2 ). Nevertheless, the analysis of the trajectories shows that there are two distinct mechanisms in the T-V ET process: direct and indirect. Direct T-V processes are responsible for the high population of SO 2 with relatively low vibrational excitation energy, while indirect ones dominate the conversion from translational energy to high values of the vibrational counterpart.

Two-proton transfer reactions on even Ni and Zn isotopes

NASA Astrophysics Data System (ADS)

Boucenna, A.; Kraus, L.; Linck, I.; Chan, Tsan Ung

1990-10-01

New levels strongly excited by 112-MeV 12C ions on even Ni and Zn isotopes are Jπ assigned on kinematical and geometrical arguments, crude shell-model calculations, and distorted-wave Born approximation angular-distribution analysis. These tentative assignments are supported by the Bansal-French model. Because of the contribution of additional collective effects, the two-proton transfer reaction spectra are less selectively fed than those obtained with the analogous two-neutron transfer reactions induced on the same targets in a similar energy range.

Investigation of intrinsic and extrinsic defects effective role on producing intense red emission in ZnO:Eu nanostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Najafi, Mehrdad, E-mail: najafi@shahroodut.ac.ir; Haratizadeh, Hamid

2015-05-15

Highlights: • Effective role of defects on producing red emission at indirect excitation. • V{sub Zn} and V{sub O} defects have important role on energy transfer. • Mg related defects and Zn{sub i} defects were responsible for blue emission. • Extrinsic and intrinsic defects mediated energy transfer to sensitize Eu{sup 3+} ions. • Decrease of red emission because of diminishing in oxygen vacancy. - Abstract: Europium doped ZnO nanorads and nanosheets were synthesized by hydrothermal method. Effects of Mg doping, morphology and annealing in oxygen ambient on structural and optical properties of ZnO nanostructures were investigated using X-ray diffraction (XRD),more » particle size analysis (PSA), thermo gravimetric analysis (TGA), differential thermal analysis (DTA), differential thermo gravimetry (DTG), scanning electron microscopy (SEM) and photoluminescence spectroscopy (PL). This study recommends that both of intrinsic and extrinsic defects facilitate energy transfer (ET) from the ZnO host to Eu{sup 3+} ions and consequently have efficient role on producing intense red emission at indirect excitation. The results also showed that annealing process improved the crystal structure of ZnO nanosheets due to decrease of surface defects; however decreased ET and red emission because of diminishing in oxygen vacancy. In addition in ZnO nanorods sample with more surface area in comparison with ZnO nanosheets sample deep level emissions are enhanced.« less

Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Soudackov, Alexander; Hammes-Schiffer, Sharon

2015-11-17

Rate constant expressions for vibronically nonadiabatic proton transfer and proton-coupled electron transfer reactions are presented and analyzed. The regimes covered include electronically adiabatic and nonadiabatic reactions, as well as high-frequency and low-frequency regimes for the proton donor-acceptor vibrational mode. These rate constants differ from previous rate constants derived with the cumulant expansion approach in that the logarithmic expansion of the vibronic coupling in terms of the proton donor-acceptor distance includes a quadratic as well as a linear term. The analysis illustrates that inclusion of this quadratic term does not significantly impact the rate constants derived using the cumulant expansion approachmore » in any of the regimes studied. The effects of the quadratic term may become significant when using the vibronic coupling expansion in conjunction with a thermal averaging procedure for calculating the rate constant, however, particularly at high temperatures and for proton transfer interfaces with extremely soft proton donor-acceptor modes that are associated with extraordinarily weak hydrogen bonds. Even with the thermal averaging procedure, the effects of the quadratic term for weak hydrogen-bonding systems are less significant for more physically realistic models that prevent the sampling of unphysical short proton donor-acceptor distances, and the expansion of the coupling can be avoided entirely by calculating the couplings explicitly for the range of proton donor-acceptor distances. This analysis identifies the regimes in which each rate constant expression is valid and thus will be important for future applications to proton transfer and proton-coupled electron transfer in chemical and biological processes. We are grateful for support from National Institutes of Health Grant GM056207 (applications to enzymes) and the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences (applications to molecular electrocatalysts).« less

Detailed Modeling and Irreversible Transfer Process Analysis of a Multi-Element Thermoelectric Generator System

NASA Astrophysics Data System (ADS)

Xiao, Heng; Gou, Xiaolong; Yang, Suwen

2011-05-01

Thermoelectric (TE) power generation technology, due to its several advantages, is becoming a noteworthy research direction. Many researchers conduct their performance analysis and optimization of TE devices and related applications based on the generalized thermoelectric energy balance equations. These generalized TE equations involve the internal irreversibility of Joule heating inside the thermoelectric device and heat leakage through the thermoelectric couple leg. However, it is assumed that the thermoelectric generator (TEG) is thermally isolated from the surroundings except for the heat flows at the cold and hot junctions. Since the thermoelectric generator is a multi-element device in practice, being composed of many fundamental TE couple legs, the effect of heat transfer between the TE couple leg and the ambient environment is not negligible. In this paper, based on basic theories of thermoelectric power generation and thermal science, detailed modeling of a thermoelectric generator taking account of the phenomenon of energy loss from the TE couple leg is reported. The revised generalized thermoelectric energy balance equations considering the effect of heat transfer between the TE couple leg and the ambient environment have been derived. Furthermore, characteristics of a multi-element thermoelectric generator with irreversibility have been investigated on the basis of the new derived TE equations. In the present investigation, second-law-based thermodynamic analysis (exergy analysis) has been applied to the irreversible heat transfer process in particular. It is found that the existence of the irreversible heat convection process causes a large loss of heat exergy in the TEG system, and using thermoelectric generators for low-grade waste heat recovery has promising potential. The results of irreversibility analysis, especially irreversible effects on generator system performance, based on the system model established in detail have guiding significance for the development and application of thermoelectric generators, particularly for the design and optimization of TE modules.

Analysis and design of an ultrahigh temperature hydrogen-fueled MHD generator

NASA Technical Reports Server (NTRS)

Moder, Jeffrey P.; Myrabo, Leik N.; Kaminski, Deborah A.

1993-01-01

A coupled gas dynamics/radiative heat transfer analysis of partially ionized hydrogen, in local thermodynamic equilibrium, flowing through an ultrahigh temperature (10,000-20,000 K) magnetohydrodynamic (MHD) generator is performed. Gas dynamics are modeled by a set of quasi-one-dimensional, nonlinear differential equations which account for friction, convective and radiative heat transfer, and the interaction between the ionized gas and applied magnetic field. Radiative heat transfer is modeled using nongray, absorbing-emitting 2D and 3D P-1 approximations which permit an arbitrary variation of the spectral absorption coefficient with frequency. Gas dynamics and radiative heat transfer are coupled through the energy equation and through the temperature- and density-dependent absorption coefficient. The resulting nonlinear elliptic problem is solved by iterative methods. Design of such MHD generators as onboard, open-cycle, electric power supplies for a particular advanced airbreathing propulsion concept produced an efficient and compact 128-MWe generator characterized by an extraction ratio of 35.5 percent, a power density of 10,500 MWe/cu m, and a specific (extracted) energy of 324 MJe/kg of hydrogen. The maximum wall heat flux and total wall heat load were 453 MW/sq m and 62 MW, respectively.

Excitation transfer and trapping kinetics in plant photosystem I probed by two-dimensional electronic spectroscopy.

PubMed

Akhtar, Parveen; Zhang, Cheng; Liu, Zhengtang; Tan, Howe-Siang; Lambrev, Petar H

2018-03-01

Photosystem I is a robust and highly efficient biological solar engine. Its capacity to utilize virtually every absorbed photon's energy in a photochemical reaction generates great interest in the kinetics and mechanisms of excitation energy transfer and charge separation. In this work, we have employed room-temperature coherent two-dimensional electronic spectroscopy and time-resolved fluorescence spectroscopy to follow exciton equilibration and excitation trapping in intact Photosystem I complexes as well as core complexes isolated from Pisum sativum. We performed two-dimensional electronic spectroscopy measurements with low excitation pulse energies to record excited-state kinetics free from singlet-singlet annihilation. Global lifetime analysis resolved energy transfer and trapping lifetimes closely matches the time-correlated single-photon counting data. Exciton energy equilibration in the core antenna occurred on a timescale of 0.5 ps. We further observed spectral equilibration component in the core complex with a 3-4 ps lifetime between the bulk Chl states and a state absorbing at 700 nm. Trapping in the core complex occurred with a 20 ps lifetime, which in the supercomplex split into two lifetimes, 16 ps and 67-75 ps. The experimental data could be modelled with two alternative models resulting in equally good fits-a transfer-to-trap-limited model and a trap-limited model. However, the former model is only possible if the 3-4 ps component is ascribed to equilibration with a "red" core antenna pool absorbing at 700 nm. Conversely, if these low-energy states are identified with the P 700 reaction centre, the transfer-to-trap-model is ruled out in favour of a trap-limited model.

Energy transfer and colour tunability in UV light induced Tm3 +/Tb3 +/Eu3 +: ZnB glasses generating white light emission

NASA Astrophysics Data System (ADS)

Naresh, V.; Gupta, Kiran; Parthasaradhi Reddy, C.; Ham, Byoung S.

2017-03-01

A promising energy transfer (Tm3 + → Tb3 + → Eu3 +) approach is brought forward to generate white light emission under ultraviolet (UV) light excitation for solid state lightening. Tm3 +/Tb3 +/Eu3 + ions are combinedly doped in zinc borate glass system in view of understanding energy transfer process resulting in white light emission. Zinc borate (host) glass displayed optical and luminescence properties due to formation of Zn(II)x-[O(- II)]y centres in the ZnB glass matrix. At 360 nm (UV) excitation, triply doped Tm3 +/Tb3 +/Eu3 +: ZnB glasses simultaneously shown their characteristic emission bands in blue (454 nm: 1D2 → 3F4), green (547 nm: 5D4 → 7F5) and red (616 nm: 5D0 → 7F2) regions. In triple ions doped glasses, energy transfer dynamics is discussed in terms of Forster-Dexter theory, excitation & emission profiles, lifetime curves and from partial energy level diagram of three ions. The role of Tb3 + in ET from Tm3 + → Eu3 + was discussed using branch model. From emission decay analysis, energy transfer probability (P) and efficiency (η) were evaluated. Colour tunability from blue to white on varying (Tb3 +, Eu3 +) content is demonstrated from Commission Internationale de L'Eclairage (CIE) chromaticity coordinates. Based on chromaticity coordinates, other colour related parameters like correlated colour temperature (CCT) and colour purity are also computed for the studied glass samples. An appropriate blending of such combination of rare earth ions could show better suitability as potential candidates in achieving multi-colour and warm/cold white light emission for white LEDs application in the field of solid state lightening.

Imaging and Manipulating Energy Transfer Among Quantum Dots at Individual Dot Resolution.

PubMed

Nguyen, Duc; Nguyen, Huy A; Lyding, Joseph W; Gruebele, Martin

2017-06-27

Many processes of interest in quantum dots involve charge or energy transfer from one dot to another. Energy transfer in films of quantum dots as well as between linked quantum dots has been demonstrated by luminescence shift, and the ultrafast time-dependence of energy transfer processes has been resolved. Bandgap variation among dots (energy disorder) and dot separation are known to play an important role in how energy diffuses. Thus, it would be very useful if energy transfer could be visualized directly on a dot-by-dot basis among small clusters or within films of quantum dots. To that effect, we report single molecule optical absorption detected by scanning tunneling microscopy (SMA-STM) to image energy pooling from donor into acceptor dots on a dot-by-dot basis. We show that we can manipulate groups of quantum dots by pruning away the dominant acceptor dot, and switching the energy transfer path to a different acceptor dot. Our experimental data agrees well with a simple Monte Carlo lattice model of energy transfer, similar to models in the literature, in which excitation energy is transferred preferentially from dots with a larger bandgap to dots with a smaller bandgap.

Low-Energy Ballistic Transfers to Lunar Halo Orbits

NASA Technical Reports Server (NTRS)

Parker, Jeffrey S.

2009-01-01

Recent lunar missions have begun to take advantage of the benefits of low-energy ballistic transfers between the Earth and the Moon rather than implementing conventional Hohmann-like lunar transfers. Both Artemis and GRAIL plan to implement low-energy lunar transfers in the next few years. This paper explores the characteristics and potential applications of many different families of low-energy ballistic lunar transfers. The transfers presented here begin from a wide variety of different orbits at the Earth and follow several different distinct pathways to the Moon. This paper characterizes these pathways to identify desirable low-energy lunar transfers for future lunar missions.

Minimal Model of Quantum Kinetic Clusters for the Energy-Transfer Network of a Light-Harvesting Protein Complex.

PubMed

Wu, Jianlan; Tang, Zhoufei; Gong, Zhihao; Cao, Jianshu; Mukamel, Shaul

2015-04-02

The energy absorbed in a light-harvesting protein complex is often transferred collectively through aggregated chromophore clusters. For population evolution of chromophores, the time-integrated effective rate matrix allows us to construct quantum kinetic clusters quantitatively and determine the reduced cluster-cluster transfer rates systematically, thus defining a minimal model of energy-transfer kinetics. For Fenna-Matthews-Olson (FMO) and light-havrvesting complex II (LCHII) monomers, quantum Markovian kinetics of clusters can accurately reproduce the overall energy-transfer process in the long-time scale. The dominant energy-transfer pathways are identified in the picture of aggregated clusters. The chromophores distributed extensively in various clusters can assist a fast and long-range energy transfer.

Exciplex-exciplex energy transfer and annihilation in solid films of porphyrin-fullerene dyads.

PubMed

Lehtivuori, Heli; Lemmetyinen, Helge; Tkachenko, Nikolai V

2006-12-20

Exciplex-exciplex annihilation was observed for the first time in porphyrin-fullerene molecular films. The films were prepared using Langmuir-Blodgett and drop casting methods. The exciplex-exciplex interactions were studied using femtosecond pump-probe method. The exciplex-exciplex annihilation can be seen as a fast (within few picoseconds) decay of the transient absorption at excitation densities higher than 0.4 mJ/cm2. Analysis of the excitation density dependences indicates that in average four dyads are involved in the exciplex-exciplex interaction, suggesting that an exciplex-exciplex energy transfer may precede the annihilation.

Energy transfer upconversion in Er3+-Tm3+ codoped sodium silicate glass

NASA Astrophysics Data System (ADS)

Kumar, Vinod; Pandey, Anurag; Ntwaeaborwa, O. M.; Swart, H. C.

2018-04-01

Er3+/Tm3+ doped and codoped Na2O-SiO2-ZnO (NSZO) glasses were prepared by the conventional melt-quenching method. The amorphous nature of the prepared glasses was confirmed by the X-ray diffraction analysis. The optical absorption spectrum displayed several peaks, which correspond to Er3+ and Tm3+ dopant ions embedded into the NSZO glass. Both dopants experienced upconversion emission under 980 nm excitation. Efficient energy transfer from Er3+ to Tm3+ was observed in the co-doped samples to enhance the near infrared emission of the Tm3+ ions.

Organic solar cells: understanding the role of Förster resonance energy transfer.

PubMed

Feron, Krishna; Belcher, Warwick J; Fell, Christopher J; Dastoor, Paul C

2012-12-12

Organic solar cells have the potential to become a low-cost sustainable energy source. Understanding the photoconversion mechanism is key to the design of efficient organic solar cells. In this review, we discuss the processes involved in the photo-electron conversion mechanism, which may be subdivided into exciton harvesting, exciton transport, exciton dissociation, charge transport and extraction stages. In particular, we focus on the role of energy transfer as described by F¨orster resonance energy transfer (FRET) theory in the photoconversion mechanism. FRET plays a major role in exciton transport, harvesting and dissociation. The spectral absorption range of organic solar cells may be extended using sensitizers that efficiently transfer absorbed energy to the photoactive materials. The limitations of F¨orster theory to accurately calculate energy transfer rates are discussed. Energy transfer is the first step of an efficient two-step exciton dissociation process and may also be used to preferentially transport excitons to the heterointerface, where efficient exciton dissociation may occur. However, FRET also competes with charge transfer at the heterointerface turning it in a potential loss mechanism. An energy cascade comprising both energy transfer and charge transfer may aid in separating charges and is briefly discussed. Considering the extent to which the photo-electron conversion efficiency is governed by energy transfer, optimisation of this process offers the prospect of improved organic photovoltaic performance and thus aids in realising the potential of organic solar cells.

Competition between Förster resonance energy transfer and electron transfer in stoichiometrically assembled semiconductor quantum dot-fullerene conjugates.

PubMed

Stewart, Michael H; Huston, Alan L; Scott, Amy M; Oh, Eunkeu; Algar, W Russ; Deschamps, Jeffrey R; Susumu, Kimihiro; Jain, Vaibhav; Prasuhn, Duane E; Blanco-Canosa, Juan; Dawson, Philip E; Medintz, Igor L

2013-10-22

Understanding how semiconductor quantum dots (QDs) engage in photoinduced energy transfer with carbon allotropes is necessary for enhanced performance in solar cells and other optoelectronic devices along with the potential to create new types of (bio)sensors. Here, we systematically investigate energy transfer interactions between C60 fullerenes and four different QDs, composed of CdSe/ZnS (type I) and CdSe/CdS/ZnS (quasi type II), with emission maxima ranging from 530 to 630 nm. C60-pyrrolidine tris-acid was first coupled to the N-terminus of a hexahistidine-terminated peptide via carbodiimide chemistry to yield a C60-labeled peptide (pepC60). This peptide provided the critical means to achieve ratiometric self-assembly of the QD-(pepC60) nanoheterostructures by exploiting metal affinity coordination to the QD surface. Controlled QD-(pepC60)N bioconjugates were prepared by discretely increasing the ratio (N) of pepC60 assembled per QD in mixtures of dimethyl sulfoxide and buffer; this mixed organic/aqueous approach helped alleviate issues of C60 solubility. An extensive set of control experiments were initially performed to verify the specific and ratiometric nature of QD-(pepC60)N assembly. Photoinitiated energy transfer in these hybrid organic-inorganic systems was then interrogated using steady-state and time-resolved fluorescence along with ultrafast transient absorption spectroscopy. Coordination of pepC60 to the QD results in QD PL quenching that directly tracks with the number of peptides displayed around the QD. A detailed photophysical analysis suggests a competition between electron transfer and Förster resonance energy transfer from the QD to the C60 that is dependent upon a complex interplay of pepC60 ratio per QD, the presence of underlying spectral overlap, and contributions from QD size. These results highlight several important factors that must be considered when designing QD-donor/C60-acceptor systems for potential optoelectronic and biosensing applications.

Effects of distributions of energy of transfer rates on spectral hole burning in photosynthetic pigment-protein complexes

NASA Astrophysics Data System (ADS)

Ahmouda, Somaya

To perform photosynthesis, plants, algae and bacteria possess well organized and closely coupled photosynthetic pigment-protein complexes. Information on energy transfer in photosynthetic complexes is important to understand their functioning and possibly to design new and improved photovoltaic devices. The information on energy transfer processes contained in the narrow zero-phonon lines at low temperatures is hidden under the inhomogeneous broadening. Thus, it has been proven difficult to analyze the spectroscopic properties of these complexes in sufficient detail by conventional spectroscopy methods. In this context the high resolution spectroscopy techniques such as Spectral Hole Burning are powerful tools designed to get around the inhomogeneous broadening. Spectral Hole Burning involves selective excitation by a laser which removes molecules with the zero-phonon transitions resonant with this laser. This thesis focuses on the effects of the distributions of the energy transfer rates (homogeneous line widths) on the evolution of spectral holes. These distributions are a consequence of the static disorder in the photosynthetic pigment-protein complexes. The qualitative effects of different types of the line width distributions on the evolution of spectral holes have been and explored by numerical simulations, an example of analysis of the original experimental data has been presented as well.

Spectroscopy and excitation dynamics of the trivalent lanthanides Tm(3+) and Ho(3+) in LiYF4

NASA Technical Reports Server (NTRS)

Walsh, Brian M.

1995-01-01

A detailed study of the spectroscopy and excitation dynamics Tm3+ and Ho3+ in yttrium lithium fluoride, LiYF4 (YLF), has been done. Absorption spectroscopy is utilized in the Judd-Ofelt theory to determine radiative transition rates of spontaneous emission. Luminescence spectroscopy is studied under cw diode laser excitation at 785nm. The effect of dopant ion concentration and excitation power on the observed luminescence are considered in these measurements. An analysis of these measurements have been used to determine channels of energy transfer between Tm3+ and Ho3+ ions. The temporal response of Tm and Ho in singly and co-doped YLF to pulsed laser excitation with a Ti:Al2O3 laser and a CoMgF2 laser turned to various wavelengths have also been studied. The energy transfer mechanisms of cross relaxation, upconversion, and resonant energy transfer between Tm3+ and Ho3+ ions have been modeled, and the model parameters extracted by a fitting procedure to the measured temporal response curves. Rate equation approaches to modeling are presented that result in predictions of rate constants for energy transfer processes, as well as more conventional approaches to modeling such as the Forster-Dexter models, which give the interaction strengths in terms of microscopic interaction parameters.

Energy transfer of highly vibrationally excited naphthalene: collisions with CHF3, CF4, and Kr.

PubMed

Chen Hsu, Hsu; Tsai, Ming-Tsang; Dyakov, Yuri A; Ni, Chi-Kung

2011-08-07

Energy transfer of highly vibrationally excited naphthalene in the triplet state in collisions with CHF(3), CF(4), and Kr was studied using a crossed-beam apparatus along with time-sliced velocity map ion imaging techniques. Highly vibrationally excited naphthalene (2.0 eV vibrational energy) was formed via the rapid intersystem crossing of naphthalene initially excited to the S(2) state by 266 nm photons. The shapes of the collisional energy-transfer probability density functions were measured directly from the scattering results of highly vibrationally excited naphthalene. In comparison to Kr atoms, the energy transfer in collisions between CHF(3) and naphthalene shows more forward scatterings, larger cross section for vibrational to translational (V → T) energy transfer, smaller cross section for translational to vibrational and rotational (T → VR) energy transfer, and more energy transferred from vibration to translation, especially in the range -ΔE(d) = -100 to -800 cm(-1). On the other hand, the difference of energy transfer properties between collisional partners Kr and CF(4) is small. The enhancement of the V → T energy transfer in collisions with CHF(3) is attributed to the large attractive interaction between naphthalene and CHF(3) (1-3 kcal/mol).

Judd-Ofelt analysis and energy transfer processes of Er3+ and Nd3+ doped fluoroaluminate glasses with low phosphate content

NASA Astrophysics Data System (ADS)

Huang, Feifei; Zhang, Yu; Hu, Lili; Chen, Danping

2014-12-01

Spectroscopic property and energy transfer processes of singly doped and codoped Er3+ and Nd3+ fluoroaluminate glasses with low phosphate content are systematically analyzed. The absorption spectra of these glasses are tested, and the Judd-Ofelt (J-O) and radiative parameters are discussed based on J-O theory and the parameters changes substantially because of the other codoping ions. As for Nd3+: the main emission bands at 0.9 and 1.05 μm decrease in the codoped sample under the excitation of an 800 nm laser diode from the emission spectra because the Er3+: 4I11/2 level reduces the Nd3+: 4F3/2 level effectively through the energy transfer process Nd3+: 4F3/2 → Er3+: 4I11/2. For Er3+, the emission at 1.5 μm is restrained by codoping with Nd3+ ions from the energy transfer process Er3+: 4I13/2 → Nd3+: 4I15/2. The emission at 2.7 μm is enhanced because the Nd3+ ions deplete the lower level and exert a positive effect on the upper laser level. The microparameters of the energy transfer between the Er3+ and Nd3+ ions are calculated and discussed using Forster-Dexter theory. The energy transfer efficiencies of the Nd3+: 4F3/2 to the Er3+: 4I11/2 and the Er3+: 4I13/2 to the Nd3+: 4I15/2 are 28.8% and 74.5%, respectively. These results indicate that Nd3+ can be an efficient sensitizer for Er3+ to obtain Mid-infrared (Mid-IR) emission and the codoped Er3+/Nd3+ fluoroaluminate glass with low phosphate content is suitable to be used as the fiber optical gain media for 2.7 μm laser generation.

Gas-liquid transfer data used to analyze hydrophobic hydration and find the nature of the Kauzmann-Tanford hydrophobic factor.

PubMed

Baldwin, Robert L

2012-05-08

Hydrophobic free energy for protein folding is currently measured by liquid-liquid transfer, based on an analogy between the folding process and the transfer of a nonpolar solute from water into a reference solvent. The second part of the analogy (transfer into a nonaqueous solvent) is dubious and has been justified by arguing that transfer out of water probably contributes the major part of the free energy change. This assumption is wrong: transfer out of water contributes no more than half the total, often less. Liquid-liquid transfer of the solute from water to liquid alkane is written here as the sum of 2 gas-liquid transfers: (i) out of water into vapor, and (ii) from vapor into liquid alkane. Both gas-liquid transfers have known free energy values for several alkane solutes. The comparable values of the two different transfer reactions are explained by the values, determined in 1991 for three alkane solutes, of the cavity work and the solute-solvent interaction energy. The transfer free energy is the difference between the positive cavity work and the negative solute-solvent interaction energy. The interaction energy has similar values in water and liquid alkane that are intermediate in magnitude between the cavity work in water and in liquid alkane. These properties explain why the transfer free energy has comparable values (with opposite signs) in the two transfers. The current hydrophobic free energy is puzzling and poorly defined and needs a new definition and method of measurement.

Gas-liquid transfer data used to analyze hydrophobic hydration and find the nature of the Kauzmann-Tanford hydrophobic factor

PubMed Central

Baldwin, Robert L.

2012-01-01

Hydrophobic free energy for protein folding is currently measured by liquid-liquid transfer, based on an analogy between the folding process and the transfer of a nonpolar solute from water into a reference solvent. The second part of the analogy (transfer into a nonaqueous solvent) is dubious and has been justified by arguing that transfer out of water probably contributes the major part of the free energy change. This assumption is wrong: transfer out of water contributes no more than half the total, often less. Liquid-liquid transfer of the solute from water to liquid alkane is written here as the sum of 2 gas-liquid transfers: (i) out of water into vapor, and (ii) from vapor into liquid alkane. Both gas-liquid transfers have known free energy values for several alkane solutes. The comparable values of the two different transfer reactions are explained by the values, determined in 1991 for three alkane solutes, of the cavity work and the solute-solvent interaction energy. The transfer free energy is the difference between the positive cavity work and the negative solute-solvent interaction energy. The interaction energy has similar values in water and liquid alkane that are intermediate in magnitude between the cavity work in water and in liquid alkane. These properties explain why the transfer free energy has comparable values (with opposite signs) in the two transfers. The current hydrophobic free energy is puzzling and poorly defined and needs a new definition and method of measurement. PMID:22529345

Ball milling: An experimental support to the energy transfer evaluated by the collision model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Magini, M.; Iasonna, A.; Padella, F.

1996-01-01

In recent years several attempts have been made in order to understand the fundamentals of the ball milling process. The aim of these approaches is to establish predictive capabilities for this process, i.e. the possibility of obtaining a given product by suitable choosing the proper milling conditions. Maurice and Courtney have modeled ball milling in a planetary and in a vibratory mill including parameters like impact times, areas of the colliding surfaces (derived from hertzian collision theory), powder strain rates and pressure peak during collision. Burgio et al derived the kinematic equations of a ball moving on a planetary millmore » and the consequent ball-to-powder energy transfer occurring in a single collision event. The fraction of input energy transferred to the powder was subsequently estimated by an analysis of the collision event. Finally an energy map was constructed which was the basis for a model with predictive capabilities. The aim of the present article is to show that the arguments used to construct the model of the milling process has substantial experimental support.« less

Disposal of Energy by UV-B Sunscreens

NASA Astrophysics Data System (ADS)

Nordlund, Thomas; Krishnan, Rajagopal

2008-03-01

Ideal sunscreens absorb dangerous UV light and dispose of the energy safely. ``Safe disposal'' usually means conversion to heat. However, efficient absorption entails a high radiative rate, which implies high energy-transfer and other rates, unless some process intervenes to ``defuse'' the excited state. We studied the excited-state kinetics of three UV-B (290-320 nm) sunscreens by absorption, steady-state and time-resolved fluorescence. Excited-state rate analysis suggests that some sunscreens have low radiative-rate ``dark'' states, in addition to normal excited states.* We deduce dark states when sunscreens of high extinction coefficient do not show lifetimes and total emission consistent with such high radiative rates. A high radiative rate, accompanied by efficient fluorescence emission and/or transfer, may be unfavorable for a sunscreen. In spite of its dark excited state, padimate O shows significant re-emission of light in the UV-A (320-400 nm) and energy transfer to a natural component of excised skin, probably collagen. * Krishnan, R. and T.M. Nordlund (2007) J. Fluoresc. DOI 10.1007/s10895-007-0264-3.

Energy transfer from InGaN quantum wells to Au nanoclusters via optical waveguiding.

PubMed

Shu, G W; Lin, C C; Lin, H T; Lin, T N; Shen, J L; Chiu, C H; Li, Z Y; Kuo, H C; Lin, C C; Wang, S C; Lin, C A J; Chang, W H

2011-03-14

We present the first observation of resonance energy transfer from InGaN quantum wells to Au nanoclusters via optical waveguiding. Steady-state and time-resolved photoluminescence measurements provide conclusive evidence of resonance energy transfer and obtain an optimum transfer efficiency of ~72%. A set of rate equations is successfully used to model the kinetics of resonance energy transfer.

Efficient near-field wireless energy transfer using adiabatic system variations

DOEpatents

Hamam, Rafif E.; Karalis, Aristeidis; Joannopoulos, John D.; Soljacic, Marin

2013-01-29

Disclosed is a method for transferring energy wirelessly including transferring energy wirelessly from a first resonator structure to an intermediate resonator structure, wherein the coupling rate between the first resonator structure and the intermediate resonator structure is .kappa..sub.1B, transferring energy wirelessly from the intermediate resonator structure to a second resonator structure, wherein the coupling rate between the intermediate resonator structure and the second resonator structure is .kappa..sub.B2, and during the wireless energy transfers, adjusting at least one of the coupling rates .kappa..sub.1B and .kappa..sub.B2 to reduce energy accumulation in the intermediate resonator structure and improve wireless energy transfer from the first resonator structure to the second resonator structure through the intermediate resonator structure.

Efficient near-field wireless energy transfer using adiabatic system variations

DOEpatents

Hamam, Rafif E; Karalis, Aristeidis; Joannopoulos, John D; Soljacic, Marin

2014-09-16

Disclosed is a method for transferring energy wirelessly including transferring energy wirelessly from a first resonator structure to an intermediate resonator structure, wherein the coupling rate between the first resonator structure and the intermediate resonator structure is .kappa..sub.1B, transferring energy wirelessly from the intermediate resonator structure to a second resonator structure, wherein the coupling rate between the intermediate resonator structure and the second resonator structure is .kappa..sub.B2, and during the wireless energy transfers, adjusting at least one of the coupling rates .kappa..sub.1B and .kappa..sub.B2 to reduce energy accumulation in the intermediate resonator structure and improve wireless energy transfer from the first resonator structure to the second resonator structure through the intermediate resonator structure.

Antineutrino Charged-Current Reactions on Hydrocarbon with Low Momentum Transfer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gran, R.; Betancourt, M.; Elkins, M.

We report on multi-nucleon effects in low momentum transfer (more » $< 0.8$ GeV/c) anti-neutrino interactions on scintillator. These data are from the 2010-11 anti-neutrino phase of the MINERvA experiment at Fermilab. The hadronic energy spectrum of this inclusive sample is well-described when a screening effect at low energy transfer and a two-nucleon knockout process are added to a relativistic Fermi gas model of quasi-elastic, $$\\Delta$$ resonance, and higher resonance processes. In this analysis, model elements introduced to describe previously published neutrino results have quantitatively similar benefits for this anti-neutrino sample. We present the results as a double-differential cross section to accelerate investigation of alternate models for anti-neutrino scattering off nuclei.« less

Anti-Neutrino Charged-Current Reactions on Scintillator with Low Momentum Transfer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gran, R.; et al.

2018-03-25

We report on multi-nucleon effects in low momentum transfer (more » $< 0.8$ GeV/c) anti-neutrino interactions on scintillator. These data are from the 2010-11 anti-neutrino phase of the MINERvA experiment at Fermilab. The hadronic energy spectrum of this inclusive sample is well-described when a screening effect at low energy transfer and a two-nucleon knockout process are added to a relativistic Fermi gas model of quasi-elastic, $$\\Delta$$ resonance, and higher resonance processes. In this analysis, model elements introduced to describe previously published neutrino results have quantitatively similar benefits for this anti-neutrino sample. We present the results as a double-differential cross section to accelerate investigation of alternate models for anti-neutrino scattering off nuclei.« less

Anti-Neutrino Charged-Current Reactions on Scintillator with Low Momentum Transfer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gran, R.; et al.

2018-06-01

We report on multi-nucleon effects in low momentum transfer (more » $< 0.8$ GeV/c) anti-neutrino interactions on scintillator. These data are from the 2010-11 anti-neutrino phase of the MINERvA experiment at Fermilab. The hadronic energy spectrum of this inclusive sample is well-described when a screening effect at low energy transfer and a two-nucleon knockout process are added to a relativistic Fermi gas model of quasi-elastic, $$\\Delta$$ resonance, and higher resonance processes. In this analysis, model elements introduced to describe previously published neutrino results have quantitatively similar benefits for this anti-neutrino sample. We present the results as a double-differential cross section to accelerate investigation of alternate models for anti-neutrino scattering off nuclei.« less

Antineutrino Charged-Current Reactions on Hydrocarbon with Low Momentum Transfer

DOE PAGES

Gran, R.; Betancourt, M.; Elkins, M.; ...

2018-06-01

We report on multi-nucleon effects in low momentum transfer (more » $< 0.8$ GeV/c) anti-neutrino interactions on scintillator. These data are from the 2010-11 anti-neutrino phase of the MINERvA experiment at Fermilab. The hadronic energy spectrum of this inclusive sample is well-described when a screening effect at low energy transfer and a two-nucleon knockout process are added to a relativistic Fermi gas model of quasi-elastic, $$\\Delta$$ resonance, and higher resonance processes. In this analysis, model elements introduced to describe previously published neutrino results have quantitatively similar benefits for this anti-neutrino sample. We present the results as a double-differential cross section to accelerate investigation of alternate models for anti-neutrino scattering off nuclei.« less

From Förster resonance energy transfer to coherent resonance energy transfer and back

NASA Astrophysics Data System (ADS)

Clegg, Robert M.; Sener, Melih; Govindjee, .

2010-02-01

Photosynthesis converts solar energy into chemical energy. It provides food and oxygen; and, in the future, it could directly provide bioenergy or renewable energy sources, such as bio-alcohol or hydrogen. To exploit such a highly efficient capture of energy requires an understanding of the fundamental physics. The process is initiated by photon absorption, followed by highly efficient and extremely rapid transfer and trapping of the excitation energy. We first review early fluorescence experiments on in vivo energy transfer, which were undertaken to understand the mechanism of such efficient energy capture. A historical synopsis is given of experiments and interpretations by others that dealt with the question of how energy is transferred from the original location of photon absorption in the photosynthetic antenna system into the reaction centers, where it is converted into useful chemical energy. We conclude by examining the physical basis of some current models concerning the roles of coherent excitons and incoherent hopping in the exceptionally efficient transfer of energy into the reaction center.

Students talk about energy in project-based inquiry science

NASA Astrophysics Data System (ADS)

Harrer, Benedikt W.; Flood, Virginia J.; Wittmann, Michael C.

2013-01-01

We examine the types of emergent language eighth grade students in rural Maine middle schools use when they discuss energy in their first experiences with Project-Based Inquiry Science: Energy, a research-based curriculum that uses a specific language for talking about energy. By comparative analysis of the language used by the curriculum materials to students' language, we find that students' talk is at times more aligned with a Stores and Transfer model of energy than the Forms model supported by the curriculum.

Energy transfer driven tunable emission of Tb/Eu co-doped lanthanum molybdate nanophosphors

NASA Astrophysics Data System (ADS)

Thomas, Kukku; Alexander, Dinu; Sisira, S.; Gopi, Subash; Biju, P. R.; Unnikrishnan, N. V.; Joseph, Cyriac

2018-06-01

Tb3+/Eu3+ co-doped lanthanum molybdate nanophosphors were synthesized by conventional co-precipitation method. The Powder X-ray diffractogram revealed the formation of highly crystalline tetragonal nanocrystals with space group I41/a and the detailed analysis of the small variation of lattice parameters with Tb/Eu co-doping on the host lattice were carried out based on the ionic radii of the dopants. The FTIR spectra is employed to identify the fundamental vibrational modes in La2-x-y (MoO4)3:xTb, yEu nanocrystals. The formation of nanocrystals by oriented attachment was recognized from the HR TEM images and the d-spacing calculated was in accordance with that corresponding to highest intensity diffraction peak in the XRD patterns. The constituent elements present in the samples were identified with the aid of EDAX and elemental mapping analysis. The broad Mo6+- O2- CTB and the sharp excitation peaks of Tb and Eu identified from the UV-Vis absorption spectra facilitates the suitability of exciting the phosphors effectively over NUV and visible region of the spectra. The possibility of energy transfer from host to Tb3+/Eu3+ ions and from Tb3+ to Eu3+ ions were confirmed from the PL excitation spectra monitoring 5D0→7F2 transition of Eu3+ ions around 615 nm. The correlated analysis of PL emission spectra, life time measurements and CIE diagram, upon different excitation channels elucidate the excellent luminescent properties of La2-x-y (MoO4)3:xTb, yEu nanophosphors with tunable emission colours in a wide range varying from yellow green region to reddish orange region and the efficient energy transfer from Tb3+ to Eu3+ ions in lanthanum molybdate host lattice. The Tb→Eu energy transfer efficiency and probability were calculated from the decay measurements and the values were found to be satisfactory for exploiting the prepared nanophosphors for the development of multifunctional luminescent nanophosphors.

Commercial objectives, technology transfer, and systems analysis for fusion power development

NASA Astrophysics Data System (ADS)

Dean, Stephen O.

1988-09-01

Fusion is an inexhaustible source of energy that has the potential for economic commercial applications with excellent safety and environmental characteristics. The primary focus for the fusion energy development program is the generation of central station electricity. Fusion has the potential, however, for many other applications. The fact that a large fraction of the energy released in a DT fusion reaction is carried by high energy neutrons suggests potentially unique applications. In addition, fusion R and D will lead to new products and new markets. Each fusion application must meet certain standards of economic and safety and environmental attractiveness. For this reason, economics on the one hand, and safety and environment and licensing on the other, are the two primary criteria for setting long range commercial fusion objectives. A major function of systems analysis is to evaluate the potential of fusion against these objectives and to help guide the fusion R and D program toward practical applications. The transfer of fusion technology and skills from the national labs and universities to industry is the key to achieving the long range objective of commercial fusion applications.

Commercial objectives, technology transfer, and systems analysis for fusion power development

NASA Technical Reports Server (NTRS)

Dean, Stephen O.

1988-01-01

Fusion is an inexhaustible source of energy that has the potential for economic commercial applications with excellent safety and environmental characteristics. The primary focus for the fusion energy development program is the generation of central station electricity. Fusion has the potential, however, for many other applications. The fact that a large fraction of the energy released in a DT fusion reaction is carried by high energy neutrons suggests potentially unique applications. In addition, fusion R and D will lead to new products and new markets. Each fusion application must meet certain standards of economic and safety and environmental attractiveness. For this reason, economics on the one hand, and safety and environment and licensing on the other, are the two primary criteria for setting long range commercial fusion objectives. A major function of systems analysis is to evaluate the potential of fusion against these objectives and to help guide the fusion R and D program toward practical applications. The transfer of fusion technology and skills from the national labs and universities to industry is the key to achieving the long range objective of commercial fusion applications.

Vibrational spectroscopic investigation and normal coordinate analysis of the fibrate hypolipidemic agent 5-(2,5-dimethylphenoxy)-2,2-dimethyl pentanoic acid (Gemfibrozil)

NASA Astrophysics Data System (ADS)

Priya, M. Siva; Benitta, T. Asenath; James, C.

2011-03-01

Colorless crystals of 5-(2,5-dimethylphenoxy)-2,2-dimethyl pentanoic acid were grown by slow evaporation method and the FT-IR and FT-Raman spectra of the sample were recorded in the region 4000-450 cm -1 and 4000-50 cm -1 respectively. Molecular structure is optimized with the help of B3LYP/6-31G (d) density functional theory method. Stability of the molecule arising from hyperconjugation and charge delocalization is confirmed by the natural bond orbital analysis (NBO). The results show that electron density (ED) in the σ ∗ antibonding orbitals and E (2) energies confirms the occurrence of intra-molecular charge transfer (ICT) within the molecule. The assignments of the vibrational spectra have been carried out with the help of Normal coordinate analysis following the scaled quantum mechanical force field (SQMFF) methodology. Mulliken population analysis on atomic charges is also calculated. The calculated HOMO and LUMO energy gap shows that charge transfer occurs within the molecule.

Construction and Structural Analysis of Tethered Lipid Bilayer Containing Photosynthetic Antenna Proteins for Functional Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sumino, Ayumi; Dewa, Takehisa; Takeuchi, Toshikazu

2011-07-11

The construction and structural analysis of a tethered planar lipid bilayer containing bacterial photosynthetic membrane proteins, light-harvesting complex 2 (LH2), and light-harvesting core complex (LH1-RC) is described and establishes this system as an experimental platform for their functional analysis. The planar lipid bilayer containing LH2 and/or LH1-RC complexes was successfully formed on an avidin-immobilized coverglass via an avidin-biotin linkage. Atomic force microscopy (AFM) showed that a smooth continuous membrane was formed there. Lateral diffusion of these membrane proteins, observed by a fluorescence recovery after photobleaching (FRAY), is discussed in terms of the membrane architecture. Energy transfer from LH2 to LH1-RCmore » within the tethered membrane architecture. Energy transfer from LH2 to LH1-RC within the tethered membrane was observed by steady-state fluorescence spectroscopy, indicating that the tethered membrane can mimic the natural situation.« less

Vibrational study and Natural Bond Orbital analysis of serotonin in monomer and dimer states by density functional theory

NASA Astrophysics Data System (ADS)

Borah, Mukunda Madhab; Devi, Th. Gomti

2018-06-01

The vibrational spectral analysis of Serotonin and its dimer were carried out using the Fourier Transform Infrared (FTIR) and Raman techniques. The equilibrium geometrical parameters, harmonic vibrational wavenumbers, Frontier orbitals, Mulliken atomic charges, Natural Bond orbitals, first order hyperpolarizability and some optimized energy parameters were computed by density functional theory with 6-31G(d,p) basis set. The detailed analysis of the vibrational spectra have been carried out by computing Potential Energy Distribution (PED, %) with the help of Vibrational Energy Distribution Analysis (VEDA) program. The second order delocalization energies E(2) confirms the occurrence of intramolecular Charge Transfer (ICT) within the molecule. The computed wavenumbers of Serotonin monomer and dimer were found in good agreement with the experimental Raman and IR values.

Atom Probe Tomographic Analysis of Biological Systems Enabled by Advanced Specimen Preparation Approaches

NASA Astrophysics Data System (ADS)

Perea, D. E.; Evans, J. E.

2017-12-01

The ability to image biointerfaces over nanometer to micrometer length scales is fundamental to correlating biological composition and structure to physiological function, and is aided by a multimodal approach using advanced complementary microscopic and spectroscopic characterization techniques. Atom Probe Tomography (APT) is a rapidly expanding technique for atomic-scale three-dimensional structural and chemical analysis. However, the regular application of APT to soft biological materials is lacking in large part due to difficulties in specimen preparation and inabilities to yield meaningful tomographic reconstructions that produce atomic scale compositional distributions as no other technique currently can. Here we describe the atomic-scale tomographic analysis of biological materials using APT that is facilitated by an advanced focused ion beam based approach. A novel specimen preparation strategy is used in the analysis of horse spleen ferritin protein embedded in an organic polymer resin which provides chemical contrast to distinguish the inorganic-organic interface of the ferrihydrite mineral core and protein shell of the ferritin protein. One-dimensional composition profiles directly reveal an enhanced concentration of P and Na at the surface of the ferrihydrite mineral core. We will also describe the development of a unique multifunctional environmental transfer hub allowing controlled cryogenic transfer of specimens under vacuum pressure conditions between an Atom Probe and cryo-FIB/SEM. The utility of the environmental transfer hub is demonstrated through the acquisition of previously unavailable mass spectral analysis of an intact organometallic molecule made possible via controlled cryogenic transfer. The results demonstrate a viable application of APT analysis to study complex biological organic/inorganic interfaces relevant to energy and the environment. References D.E. Perea et al. An environmental transfer hub for multimodal atom probe tomography, Adv. Struct. Chem. Imag, 2017, 3:12 The research was performed at the Environmental Molecular Sciences Laboratory; a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at Pacific Northwest National Laboratory.

Collected Papers on Wind Turbine Technology

NASA Technical Reports Server (NTRS)

Spera, David A. (Editor)

1995-01-01

R and D projects on electricity generating wind turbines were conducted at the NASA Lewis Research Center from 1973 to 1988. Most projects were sponsored by the U.S. Department of Energy (DOE), a major element of its Federal Wind Energy Program. Another large wind turbine project was by the Bureau of Reclamation of the U.S. Department of Interior (DOI). From 1988 to 1995, NASA wind energy activities have been directed toward the transfer of technology to commercial and academic organizations. As part of these technology transfer activities, previously unpublished manuscripts have been assembled and presented here to share the wind turbine research results with the wind energy community. A variety of wind turbine technology topics are discussed: Wind and wake models; Airfoil properties; Structural analysis and testing; Control systems; Variable speed generators; and acoustic noise. Experimental and theoretical results are discussed.

Advanced statistical energy analysis

NASA Astrophysics Data System (ADS)

Heron, K. H.

1994-09-01

A high-frequency theory (advanced statistical energy analysis (ASEA)) is developed which takes account of the mechanism of tunnelling and uses a ray theory approach to track the power flowing around a plate or a beam network and then uses statistical energy analysis (SEA) to take care of any residual power. ASEA divides the energy of each sub-system into energy that is freely available for transfer to other sub-systems and energy that is fixed within the sub-systems that are physically separate and can be interpreted as a series of mathematical models, the first of which is identical to standard SEA and subsequent higher order models are convergent on an accurate prediction. Using a structural assembly of six rods as an example, ASEA is shown to converge onto the exact results while SEA is shown to overpredict by up to 60 dB.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, J.; Moon, T.J.; Howell, J.R.

This paper presents an analysis of the heat transfer occurring during an in-situ curing process for which infrared energy is provided on the surface of polymer composite during winding. The material system is Hercules prepreg AS4/3501-6. Thermoset composites have an exothermic chemical reaction during the curing process. An Eulerian thermochemical model is developed for the heat transfer analysis of helical winding. The model incorporates heat generation due to the chemical reaction. Several assumptions are made leading to a two-dimensional, thermochemical model. For simplicity, 360{degree} heating around the mandrel is considered. In order to generate the appropriate process windows, the developedmore » heat transfer model is combined with a simple winding time model. The process windows allow for a proper selection of process variables such as infrared energy input and winding velocity to give a desired end-product state. Steady-state temperatures are found for each combination of the process variables. A regression analysis is carried out to relate the process variables to the resulting steady-state temperatures. Using regression equations, process windows for a wide range of cylinder diameters are found. A general procedure to find process windows for Hercules AS4/3501-6 prepreg tape is coded in a FORTRAN program.« less

Application of Degenerately Doped Metal Oxides in the Study of Photoinduced Interfacial Electron Transfer.

PubMed

Farnum, Byron H; Morseth, Zachary A; Brennaman, M Kyle; Papanikolas, John M; Meyer, Thomas J

2015-06-18

Degenerately doped In2O3:Sn semiconductor nanoparticles (nanoITO) have been used to study the photoinduced interfacial electron-transfer reactivity of surface-bound [Ru(II)(bpy)2(4,4'-(PO3H2)2-bpy)](2+) (RuP(2+)) molecules as a function of driving force over a range of 1.8 eV. The metallic properties of the ITO nanoparticles, present within an interconnected mesoporous film, allowed for the driving force to be tuned by controlling their Fermi level with an external bias while their optical transparency allowed for transient absorption spectroscopy to be used to monitor electron-transfer kinetics. Photoinduced electron transfer from excited-state -RuP(2+*) molecules to nanoITO was found to be dependent on applied bias and competitive with nonradiative energy transfer to nanoITO. Back electron transfer from nanoITO to oxidized -RuP(3+) was also dependent on the applied bias but without complication from inter- or intraparticle electron diffusion in the oxide nanoparticles. Analysis of the electron injection kinetics as a function of driving force using Marcus-Gerischer theory resulted in an experimental estimate of the reorganization energy for the excited-state -RuP(3+/2+*) redox couple of λ* = 0.83 eV and an electronic coupling matrix element, arising from electronic wave function overlap between the donor orbital in the molecule and the acceptor orbital(s) in the nanoITO electrode, of Hab = 20-45 cm(-1). Similar analysis of the back electron-transfer kinetics yielded λ = 0.56 eV for the ground-state -RuP(3+/2+) redox couple and Hab = 2-4 cm(-1). The use of these wide band gap, degenerately doped materials provides a unique experimental approach for investigating single-site electron transfer at the surface of oxide nanoparticles.

Assessing ecosystem effects of reservoir operations using food web-energy transfer and water quality models

USGS Publications Warehouse

Saito, L.; Johnson, B.M.; Bartholow, J.; Hanna, R.B.

2001-01-01

We investigated the effects on the reservoir food web of a new temperature control device (TCD) on the dam at Shasta Lake, California. We followed a linked modeling approach that used a specialized reservoir water quality model to forecast operation-induced changes in phytoplankton production. A food web–energy transfer model was also applied to propagate predicted changes in phytoplankton up through the food web to the predators and sport fishes of interest. The food web–energy transfer model employed a 10% trophic transfer efficiency through a food web that was mapped using carbon and nitrogen stable isotope analysis. Stable isotope analysis provided an efficient and comprehensive means of estimating the structure of the reservoir's food web with minimal sampling and background data. We used an optimization procedure to estimate the diet proportions of all food web components simultaneously from their isotopic signatures. Some consumers were estimated to be much more sensitive than others to perturbations to phytoplankton supply. The linked modeling approach demonstrated that interdisciplinary efforts enhance the value of information obtained from studies of managed ecosystems. The approach exploited the strengths of engineering and ecological modeling methods to address concerns that neither of the models could have addressed alone: (a) the water quality model could not have addressed quantitatively the possible impacts to fish, and (b) the food web model could not have examined how phytoplankton availability might change due to reservoir operations.

Impact of Temperature and Non-Gaussian Statistics on Electron Transfer in Donor–Bridge–Acceptor Molecules

DOE PAGES

Waskasi, Morteza M.; Newton, Marshall D.; Matyushov, Dmitry V.

2017-03-16

A combination of experimental data and theoretical analysis provides evidence of a bell-shaped kinetics of electron transfer in the Arrhenius coordinates ln k vs 1/T . This kinetic law is a temperature analog of the familiar Marcus bell-shaped dependence based on ln k vs the reaction free energy. These results were obtained for reactions of intramolecular charge shift between the donor and acceptor separated by a rigid spacer studied experimentally by Miller and co-workers. The non-Arrhenius kinetic law is a direct consequence of the solvent reorganization energy and reaction driving force changing approximately as hyperbolic functions with temperature. The reorganizationmore » energy decreases and the driving force increases when temperature is increased. The point of equality between them marks the maximum of the activationless reaction rate. Reaching the consistency between the kinetic and thermodynamic experimental data requires the non-Gaussian statistics of the donor-acceptor energy gap described by the Q-model of electron transfer. Furthermore, the theoretical formalism combines the vibrational envelope of quantum vibronic transitions with the Q-model describing the classical component of the Franck-Condon factor and a microscopic solvation model of the solvent reorganization energy and the reaction free energy.« less

Dexter energy transfer pathways

PubMed Central

Skourtis, Spiros S.; Liu, Chaoren; Antoniou, Panayiotis; Virshup, Aaron M.; Beratan, David N.

2016-01-01

Energy transfer with an associated spin change of the donor and acceptor, Dexter energy transfer, is critically important in solar energy harvesting assemblies, damage protection schemes of photobiology, and organometallic opto-electronic materials. Dexter transfer between chemically linked donors and acceptors is bridge mediated, presenting an enticing analogy with bridge-mediated electron and hole transfer. However, Dexter coupling pathways must convey both an electron and a hole from donor to acceptor, and this adds considerable richness to the mediation process. We dissect the bridge-mediated Dexter coupling mechanisms and formulate a theory for triplet energy transfer coupling pathways. Virtual donor–acceptor charge-transfer exciton intermediates dominate at shorter distances or higher tunneling energy gaps, whereas virtual intermediates with an electron and a hole both on the bridge (virtual bridge excitons) dominate for longer distances or lower energy gaps. The effects of virtual bridge excitons were neglected in earlier treatments. The two-particle pathway framework developed here shows how Dexter energy-transfer rates depend on donor, bridge, and acceptor energetics, as well as on orbital symmetry and quantum interference among pathways. PMID:27382185

Dexter energy transfer pathways.

PubMed

Skourtis, Spiros S; Liu, Chaoren; Antoniou, Panayiotis; Virshup, Aaron M; Beratan, David N

2016-07-19

Energy transfer with an associated spin change of the donor and acceptor, Dexter energy transfer, is critically important in solar energy harvesting assemblies, damage protection schemes of photobiology, and organometallic opto-electronic materials. Dexter transfer between chemically linked donors and acceptors is bridge mediated, presenting an enticing analogy with bridge-mediated electron and hole transfer. However, Dexter coupling pathways must convey both an electron and a hole from donor to acceptor, and this adds considerable richness to the mediation process. We dissect the bridge-mediated Dexter coupling mechanisms and formulate a theory for triplet energy transfer coupling pathways. Virtual donor-acceptor charge-transfer exciton intermediates dominate at shorter distances or higher tunneling energy gaps, whereas virtual intermediates with an electron and a hole both on the bridge (virtual bridge excitons) dominate for longer distances or lower energy gaps. The effects of virtual bridge excitons were neglected in earlier treatments. The two-particle pathway framework developed here shows how Dexter energy-transfer rates depend on donor, bridge, and acceptor energetics, as well as on orbital symmetry and quantum interference among pathways.

Probing energy transfer events in the light harvesting complex 2 (LH2) of Rhodobacter sphaeroides with two-dimensional spectroscopy.

PubMed

Fidler, Andrew F; Singh, Ved P; Long, Phillip D; Dahlberg, Peter D; Engel, Gregory S

2013-10-21

Excitation energy transfer events in the photosynthetic light harvesting complex 2 (LH2) of Rhodobacter sphaeroides are investigated with polarization controlled two-dimensional electronic spectroscopy. A spectrally broadened pulse allows simultaneous measurement of the energy transfer within and between the two absorption bands at 800 nm and 850 nm. The phased all-parallel polarization two-dimensional spectra resolve the initial events of energy transfer by separating the intra-band and inter-band relaxation processes across the two-dimensional map. The internal dynamics of the 800 nm region of the spectra are resolved as a cross peak that grows in on an ultrafast time scale, reflecting energy transfer between higher lying excitations of the B850 chromophores into the B800 states. We utilize a polarization sequence designed to highlight the initial excited state dynamics which uncovers an ultrafast transfer component between the two bands that was not observed in the all-parallel polarization data. We attribute the ultrafast transfer component to energy transfer from higher energy exciton states to lower energy states of the strongly coupled B850 chromophores. Connecting the spectroscopic signature to the molecular structure, we reveal multiple relaxation pathways including a cyclic transfer of energy between the two rings of the complex.

Organic Solar Cells: Understanding the Role of Förster Resonance Energy Transfer

PubMed Central

Feron, Krishna; Belcher, Warwick J.; Fell, Christopher J.; Dastoor, Paul C.

2012-01-01

Organic solar cells have the potential to become a low-cost sustainable energy source. Understanding the photoconversion mechanism is key to the design of efficient organic solar cells. In this review, we discuss the processes involved in the photo-electron conversion mechanism, which may be subdivided into exciton harvesting, exciton transport, exciton dissociation, charge transport and extraction stages. In particular, we focus on the role of energy transfer as described by Förster resonance energy transfer (FRET) theory in the photoconversion mechanism. FRET plays a major role in exciton transport, harvesting and dissociation. The spectral absorption range of organic solar cells may be extended using sensitizers that efficiently transfer absorbed energy to the photoactive materials. The limitations of Förster theory to accurately calculate energy transfer rates are discussed. Energy transfer is the first step of an efficient two-step exciton dissociation process and may also be used to preferentially transport excitons to the heterointerface, where efficient exciton dissociation may occur. However, FRET also competes with charge transfer at the heterointerface turning it in a potential loss mechanism. An energy cascade comprising both energy transfer and charge transfer may aid in separating charges and is briefly discussed. Considering the extent to which the photo-electron conversion efficiency is governed by energy transfer, optimisation of this process offers the prospect of improved organic photovoltaic performance and thus aids in realising the potential of organic solar cells. PMID:23235328

Metagenomic Analyses Reveal That Energy Transfer Gene Abundances Can Predict the Syntrophic Potential of Environmental Microbial Communities

PubMed Central

Oberding, Lisa; Gieg, Lisa M.

2016-01-01

Hydrocarbon compounds can be biodegraded by anaerobic microorganisms to form methane through an energetically interdependent metabolic process known as syntrophy. The microorganisms that perform this process as well as the energy transfer mechanisms involved are difficult to study and thus are still poorly understood, especially on an environmental scale. Here, metagenomic data was analyzed for specific clusters of orthologous groups (COGs) related to key energy transfer genes thus far identified in syntrophic bacteria, and principal component analysis was used in order to determine whether potentially syntrophic environments could be distinguished using these syntroph related COGs as opposed to universally present COGs. We found that COGs related to hydrogenase and formate dehydrogenase genes were able to distinguish known syntrophic consortia and environments with the potential for syntrophy from non-syntrophic environments, indicating that these COGs could be used as a tool to identify syntrophic hydrocarbon biodegrading environments using metagenomic data. PMID:27681901

Photoluminescence and energy transfer process in Gd{sub 2}O{sub 3}:Eu{sup 3+}, Tb{sup 3+}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Selvalakshmi, T.; Bose, A. Chandra, E-mail: acbose@nitt.edu

2016-05-23

Variation in photoluminescence (PL) properties of Eu{sup 3+} and Tb{sup 3+} as a function of co-dopant (Tb{sup 3+}) concentration are studied for Gd{sub 2-x-y}O{sub 3}: Eu{sup 3+}{sub x} Tb{sup 3+}{sub y} (x = 0.02, y = 0.01, 0.03, 0.05). The crystal structure analysis is carried out by X-ray Diffraction (XRD). Absence of addition peaks corresponding europium or terbium phase confirms the phase purity. Diffuse reflectance spectroscopy (DRS) reveals the absorption peaks corresponding to host matrix, Eu{sup 3+} and Tb{sup 3+}. The bandgap calculated from Kubelka – Munk function is also reported. PL spectra are recorded at the excitation wavelength ofmore » 307 nm and the emission peak corresponding to Eu{sup 3+} confirms the energy transfer from Tb{sup 3+} to Eu{sup 3+}. The agglomeration of particles acts as quenching centres for energy transfer at higher concentrations.« less

Intrinsic Tryptophan Fluorescence in the Detection and Analysis of Proteins: A Focus on Förster Resonance Energy Transfer Techniques

PubMed Central

Ghisaidoobe, Amar B. T.; Chung, Sang J.

2014-01-01

Förster resonance energy transfer (FRET) occurs when the distance between a donor fluorophore and an acceptor is within 10 nm, and its application often necessitates fluorescent labeling of biological targets. However, covalent modification of biomolecules can inadvertently give rise to conformational and/or functional changes. This review describes the application of intrinsic protein fluorescence, predominantly derived from tryptophan (λEX ∼ 280 nm, λEM ∼ 350 nm), in protein-related research and mainly focuses on label-free FRET techniques. In terms of wavelength and intensity, tryptophan fluorescence is strongly influenced by its (or the protein’s) local environment, which, in addition to fluorescence quenching, has been applied to study protein conformational changes. Intrinsic Förster resonance energy transfer (iFRET), a recently developed technique, utilizes the intrinsic fluorescence of tryptophan in conjunction with target-specific fluorescent probes as FRET donors and acceptors, respectively, for real time detection of native proteins. PMID:25490136

Coherence and population dynamics of chlorophyll excitations in FCP complex: Two-dimensional spectroscopy study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Butkus, Vytautas; Gelzinis, Andrius; Valkunas, Leonas

2015-06-07

Energy transfer processes and coherent phenomena in the fucoxanthin–chlorophyll protein complex, which is responsible for the light harvesting function in marine algae diatoms, were investigated at 77 K by using two-dimensional electronic spectroscopy. Experiments performed on femtosecond and picosecond timescales led to separation of spectral dynamics, witnessing evolutions of coherence and population states of the system in the spectral region of Q{sub y} transitions of chlorophylls a and c. Analysis of the coherence dynamics allowed us to identify chlorophyll (Chl) a and fucoxanthin intramolecular vibrations dominating over the first few picoseconds. Closer inspection of the spectral region of the Q{submore » y} transition of Chl c revealed previously not identified, mutually non-interacting chlorophyll c states participating in femtosecond or picosecond energy transfer to the Chl a molecules. Consideration of separated coherent and incoherent dynamics allowed us to hypothesize the vibrations-assisted coherent energy transfer between Chl c and Chl a and the overall spatial arrangement of chlorophyll molecules.« less

Efficient near-field wireless energy transfer using adiabatic system variations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hamam, Rafif E.; Karalis, Aristeidis; Joannopoulos, John D.

Disclosed is a method for transferring energy wirelessly including transferring energy wirelessly from a first resonator structure to an intermediate resonator structure, wherein the coupling rate between the first resonator structure and the intermediate resonator structure is .kappa..sub.1B, transferring energy wirelessly from the intermediate resonator structure to a second resonator structure, wherein the coupling rate between the intermediate resonator structure and the second resonator structure is .kappa..sub.B2, and during the wireless energy transfers, adjusting at least one of the coupling rates .kappa..sub.1B and .kappa..sub.B2 to reduce energy accumulation in the intermediate resonator structure and improve wireless energy transfer from themore » first resonator structure to the second resonator structure through the intermediate resonator structure.« less

Energy transfer dynamics in Light-Harvesting Dendrimers

NASA Astrophysics Data System (ADS)

Melinger, Joseph S.; McMorrow, Dale; Kleiman, Valeria D.

2002-03-01

We explore energy transfer dynamics in light-harvesting phenylacetylene symmetric and asymmetric dendrimers. Femtosecond pump-probe spectroscopy is used to probe the ultrafast dynamics of electronic excitations in these dendrimers. The backbone of the macromolecule consists of branches of increasing conjugation length, creating an energy gradient, which funnels energy to an accepting perylene trap. In the case of the symmetric dendrimer (nanostar), the energy transfer efficiency is known to approach nearly unity, although the nature and timescale of the energy transfer process is still unknown. For the asymmetric dendrimers, energy transfer efficiencies are very high, with the possibility of more complex transfer processes. We experimentally monitor the transport of excitons through the light-harvesting dendrimer. The transients show a number of components, with timescales ranging from <300fs to several tens of picoseconds, revealing the complex photophysics taking place in these macromolecules. We interpret our results in terms of the Förster mechanism in which energy transfer occurs through dipole-dipole interactions.

Coherent transport and energy flow patterns in photosynthesis under incoherent excitation.

PubMed

Pelzer, Kenley M; Can, Tankut; Gray, Stephen K; Morr, Dirk K; Engel, Gregory S

2014-03-13

Long-lived coherences have been observed in photosynthetic complexes after laser excitation, inspiring new theories regarding the extreme quantum efficiency of photosynthetic energy transfer. Whether coherent (ballistic) transport occurs in nature and whether it improves photosynthetic efficiency remain topics of debate. Here, we use a nonequilibrium Green's function analysis to model exciton transport after excitation from an incoherent source (as opposed to coherent laser excitation). We find that even with an incoherent source, the rate of environmental dephasing strongly affects exciton transport efficiency, suggesting that the relationship between dephasing and efficiency is not an artifact of coherent excitation. The Green's function analysis provides a clear view of both the pattern of excitonic fluxes among chromophores and the multidirectionality of energy transfer that is a feature of coherent transport. We see that even in the presence of an incoherent source, transport occurs by qualitatively different mechanisms as dephasing increases. Our approach can be generalized to complex synthetic systems and may provide a new tool for optimizing synthetic light harvesting materials.

Transient analysis of energy Transfer Control (ECT) and compressor bleed concepts of remote lift fan control

NASA Technical Reports Server (NTRS)

Sellers, J. F.

1973-01-01

The transient performance of two concepts for control of vertical takeoff aircraft remote lift fans is analyzed and discussed. Both concepts employ flow transfer between pairs of lift fans located in separate parts of the aircraft in order to obtain attitude control moments for hover and low-speed flight. The results presented are from a digital computer, dynamic analysis of the YJ97/LF460 remote drive turbofan. The transient responses of the two systems are presented for step demands in lift and moment.

Experimental Evaluation of a Carbon Slurry Droplet Combustion Model

DTIC Science & Technology

1981-12-14

the increased mass and energy transport due to the flow percolating through the open porous structure of the carbon agglomerate. Two separate models...catalysts. Transport-rate enhancement factors were also employed in the carbon-agglomerate reaction analysis to account for the increased mass and energy ...D Effective binary diffusivity Ei Activation energy h Heat transfer coefficient H2 Diatomic hydrogen H20 Water i Enthalpy if Enthalpy of formation

On the applications of nanofluids to enhance the performance of solar collectors: A comparative analysis of Atangana-Baleanu and Caputo-Fabrizio fractional models

NASA Astrophysics Data System (ADS)

Sheikh, Nadeem Ahmad; Ali, Farhad; Khan, Ilyas; Gohar, Madeha; Saqib, Muhammad

2017-12-01

In the modern era, solar energy has gained the consideration of researchers to a great deal. Apparently, the reasons are twofold: firstly, the researchers are concerned to design new devices like solar collectors, solar water heaters, etc. Secondly, the use of new approaches to improve the performance of solar energy equipment. The aim of this paper is to model the problem of the enhancement of heat transfer rate of solar energy devices, using nanoparticles and to find the exact solutions of the considered problem. The classical model is transformed to a generalized model using two different types of time-fractional derivatives, namely the Caputo-Fabrizio and Atangana-Baleanu derivatives and their comparative analysis has been presented. The solutions for the flow profile and heat transfer are presented using the Laplace transform method. The variation in the heat transfer rate has been observed for different nanoparticles and their different volume fractions. Theoretical results show that by adding aluminum oxide nanoparticles, the efficiency of solar collectors may be enhanced by 5.2%. Furthermore, the effect of volume friction of nanoparticles on velocity distribution has been discussed in graphical illustrations. The solutions are reduced to the corresponding classical model of nanofluid.

Modeling the Flow of Rarefied Gases at NASA

NASA Technical Reports Server (NTRS)

Forrest E. Lumpkin, III

2012-01-01

At modest temperatures, the thermal energy of atmospheric diatomic gases such as nitrogen is primarily distributed between only translational and rotational energy modes. Furthermore, these energy modes are fully excited such that the specific heat at constant volume is well approximated by the simple expression C(sub v) = 5/2 R. As a result, classical mechanics provides a suitable approximation at such temperatures of the true quantum mechanical behavior of the inter-molecular collisions of such molecules. Using classical mechanics, the transfer of energy between rotational and translation energy modes is studied. The approach of Lordi and Mates is adopted to compute the trajectories and time dependent rotational orientations and energies during the collision of two non-polar diatomic molecules. A Monte-Carlo analysis is performed collecting data from the results of many such simulations in order to estimate the rotational relaxation time. A Graphical Processing Unit (GPU) is employed to improve the performance of the Monte-Carlo analysis. A comparison of the performance of the GPU implementation to an implementation on traditional computer architecture is made. Effects of the assumed inter-molecular potential on the relaxation time are studied. The seminar will also present highlights of computational analyses performed at NASA Johnson Space Center of heat transfer in rarefied gases.

Ligand and membrane-binding behavior of the phosphatidylinositol transfer proteins PITPα and PITPβ.

PubMed

Baptist, Matilda; Panagabko, Candace; Cockcroft, Shamshad; Atkinson, Jeffrey

2016-12-01

Phosphatidylinositol transfer proteins (PITPs) are believed to be lipid transfer proteins because of their ability to transfer either phosphatidylinositol (PI) or phosphatidylcholine (PC) between membrane compartments, in vitro. However, the detailed mechanism of this transfer process is not fully established. To further understand the transfer mechanism of PITPs we examined the interaction of PITPs with membranes using dual polarization interferometry (DPI), which measures protein binding affinity on a flat immobilized lipid surface. In addition, a fluorescence resonance energy transfer (FRET)-based assay was also employed to monitor how quickly PITPs transfer their ligands to lipid vesicles. DPI analysis revealed that PITPβ had a higher affinity to membranes compared with PITPα. Furthermore, the FRET-based transfer assay revealed that PITPβ has a higher ligand transfer rate compared with PITPα. However, both PITPα and PITPβ demonstrated a preference for highly curved membrane surfaces during ligand transfer. In other words, ligand transfer rate was higher when the accepting vesicles were highly curved.

Electro-mechanical energy conversion system having a permanent magnet machine with stator, resonant transfer link and energy converter controls

DOEpatents

Skeist, S. Merrill; Baker, Richard H.

2006-01-10

An electro-mechanical energy conversion system coupled between an energy source and an energy load comprising an energy converter device including a permanent magnet induction machine coupled between the energy source and the energy load to convert the energy from the energy source and to transfer the converted energy to the energy load and an energy transfer multiplexer to control the flow of power or energy through the permanent magnetic induction machine.

Two-proton transfer reactions on even Ni and Zn isotopes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boucenna, A.; Kraus, L.; Linck, I.

New levels strongly excited by 112-MeV {sup 12}C ions on even Ni and Zn isotopes are {ital J}{sup {pi}} assigned on kinematical and geometrical arguments, crude shell-model calculations, and distorted-wave Born approximation angular-distribution analysis. These tentative assignments are supported by the Bansal-French model. Because of the contribution of additional collective effects, the two-proton transfer reaction spectra are less selectively fed than those obtained with the analogous two-neutron transfer reactions induced on the same targets in a similar energy range.

Energy Transfer Efficiency from ZnO-Nanocrystals to Eu3+ Ions Embedded in SiO₂ Film for Emission at 614 nm.

PubMed

Mangalam, Vivek; Pita, Kantisara

2017-08-10

In this work, we study the energy transfer mechanism from ZnO nanocrystals (ZnO-nc) to Eu 3+ ions by fabricating thin-film samples of ZnO-nc and Eu 3+ ions embedded in a SiO₂ matrix using the low-cost sol-gel technique. The time-resolved photoluminescence (TRPL) measurements from the samples were analyzed to understand the contribution of energy transfer from the various ZnO-nc emission centers to Eu 3+ ions. The decay time obtained from the TRPL measurements was used to calculate the energy transfer efficiencies from the ZnO-nc emission centers, and these results were compared with the energy transfer efficiencies calculated from steady-state photoluminescence emission results. The results in this work show that high transfer efficiencies from the excitonic and Zn defect emission centers is mostly due to the energy transfer from ZnO-nc to Eu 3+ ions which results in the radiative emission from the Eu 3+ ions at 614 nm, while the energy transfer from the oxygen defect emissions is most probably due to the energy transfer from ZnO-nc to the new defects created due to the incorporation of the Eu 3+ ions.

Two Theorems on Dissipative Energy Losses in Capacitor Systems

ERIC Educational Resources Information Center

Newburgh, Ronald

2005-01-01

This article examines energy losses in charge motion in two capacitor systems. In the first charge is transferred from a charged capacitor to an uncharged one through a resistor. In the second a battery charges an originally uncharged capacitor through a resistance. Analysis leads to two surprising general theorems. In the first case the fraction…

Ultrafast electron and energy transfer in dye-sensitized iron oxide and oxyhydroxide nanoparticles.

PubMed

Gilbert, Benjamin; Katz, Jordan E; Huse, Nils; Zhang, Xiaoyi; Frandsen, Cathrine; Falcone, Roger W; Waychunas, Glenn A

2013-10-28

An emerging area in chemical science is the study of solid-phase redox reactions using ultrafast time-resolved spectroscopy. We have used molecules of the photoactive dye 2',7'-dichlorofluorescein (DCF) anchored to the surface of iron(III) oxide nanoparticles to create iron(II) surface atoms via photo-initiated interfacial electron transfer. This approach enables time-resolved study of the fate and mobility of electrons within the solid phase. However, complete analysis of the ultrafast processes following dye photoexcitation of the sensitized iron(III) oxide nanoparticles has not been reported. We addressed this topic by performing femtosecond transient absorption (TA) measurements of aqueous suspensions of uncoated and DCF-sensitized iron oxide and oxyhydroxide nanoparticles, and an aqueous iron(III)-dye complex. Following light absorption, excited state relaxation times of the dye of 115-310 fs were found for all samples. Comparison between TA dynamics on uncoated and dye-sensitized hematite nanoparticles revealed the dye de-excitation pathway to consist of a competition between electron and energy transfer to the nanoparticles. We analyzed the TA data for hematite nanoparticles using a four-state model of the dye-sensitized system, finding electron and energy transfer to occur on the same ultrafast timescale. The interfacial electron transfer rates for iron oxides are very close to those previously reported for DCF-sensitized titanium dioxide (for which dye-oxide energy transfer is energetically forbidden) even though the acceptor states are different. Comparison of the alignment of the excited states of the dye and the unoccupied states of these oxides showed that the dye injects into acceptor states of different symmetry (Ti t2gvs. Fe eg).

Numerical analysis of fluid flow and heat transfer during melting inside a cylindrical container for thermal energy storage system

NASA Astrophysics Data System (ADS)

Bellan, Selvan; Cheok, Cho Hyun; Gokon, Nobuyuki; Matsubara, Koji; Kodama, Tatsuya

2017-06-01

This paper presents a numerical analysis of unconstrained melting of high temperature(>1000K) phase change material (PCM) inside a cylindrical container. Sodium chloride and Silicon carbide have been used as phase change material and shell of the capsule respectively. The control volume discretization approach has been used to solve the conservation equations of mass, momentum and energy. The enthalpy-porosity method has been used to track the solid-liquid interface of the PCM during melting process. Transient numerical simulations have been performed in order to study the influence of radius of the capsule and the Stefan number on the heat transfer rate. The simulation results show that the counter-clockwise Buoyancy driven convection over the top part of the solid PCM enhances the melting rate quite faster than the bottom part.

An overview of challenges in modeling heat and mass transfer for living on Mars.

PubMed

Yamashita, Masamichi; Ishikawa, Yoji; Kitaya, Yoshiaki; Goto, Eiji; Arai, Mayumi; Hashimoto, Hirofumi; Tomita-Yokotani, Kaori; Hirafuji, Masayuki; Omori, Katsunori; Shiraishi, Atsushi; Tani, Akira; Toki, Kyoichiro; Yokota, Hiroki; Fujita, Osamu

2006-09-01

Engineering a life-support system for living on Mars requires the modeling of heat and mass transfer. This report describes the analysis of heat and mass transfer phenomena in a greenhouse dome, which is being designed as a pressurized life-support system for agricultural production on Mars. In this Martian greenhouse, solar energy will be converted into chemical energy in plant biomass. Agricultural products will be harvested for food and plant cultivation, and waste materials will be processed in a composting microbial ecosystem. Transpired water from plants will be condensed and recycled. In our thermal design and analysis for the Martian greenhouse, we addressed the question of whether temperature and pressure would be maintained in the appropriate range for humans as well as plants. Energy flow and material circulation should be controlled to provide an artificial ecological system on Mars. In our analysis, we assumed that the greenhouse would be maintained at a subatmospheric pressure under 1/3-G gravitational force with 1/2 solar light intensity on Earth. Convection of atmospheric gases will be induced inside the greenhouse, primarily by heating from sunlight. Microclimate (thermal and gas species structure) could be generated locally around plant bodies, which would affect gas transport. Potential effects of those environmental factors are discussed on the phenomena including plant growth and plant physiology and focusing on transport processes. Fire safety is a crucial issue and we evaluate its impact on the total gas pressure in the greenhouse dome.

A Data Analysis Toolbox for Modeling the Global Food-Energy-Water Nexus

NASA Astrophysics Data System (ADS)

AghaKouchak, A.; Sadegh, M.; Mallakpour, I.

2017-12-01

Water, Food and energy systems are highly interconnected. More than seventy percent of global water resource is used for food production. Water withdrawal, purification, and transfer systems are energy intensive. Furthermore, energy generation strongly depends on water availability. Therefore, considering the interactions in the nexus of water, food and energy is crucial for sustainable management of available resources. In this presentation, we introduce a user-friendly data analysis toolbox that mines the available global data on food, energy and water, and analyzes their interactions. This toolbox provides estimates of water footprint for a wide range of food types in different countries and also approximates the required energy and water resources. The toolbox also provides estimates of the corresponding emissions and biofuel production of different crops. In summary, this toolbox allows evaluating dependencies of the food, energy, and water systems at the country scale. We present global analysis of the interactions between water, food and energy from different perspectives including efficiency and diversity of resources use.

Layered host-guest long-afterglow ultrathin nanosheets: high-efficiency phosphorescence energy transfer at 2D confined interface.

PubMed

Gao, Rui; Yan, Dongpeng

2017-01-01

Tuning and optimizing the efficiency of light energy transfer play an important role in meeting modern challenges of minimizing energy loss and developing high-performance optoelectronic materials. However, attempts to fabricate systems giving highly efficient energy transfer between luminescent donor and acceptor have achieved limited success to date. Herein, we present a strategy towards phosphorescence energy transfer at a 2D orderly crystalline interface. We first show that new ultrathin nanosheet materials giving long-afterglow luminescence can be obtained by assembling aromatic guests into a layered double hydroxide host. Furthermore, we demonstrate that co-assembly of these long-lived energy donors with an energy acceptor in the same host generates an ordered arrangement of phosphorescent donor-acceptor pairs spatially confined within the 2D nanogallery, which affords energy transfer efficiency as high as 99.7%. Therefore, this work offers an alternative route to develop new types of long-afterglow nanohybrids and efficient light transfer systems with potential energy, illumination and sensor applications.

Parametric study of thermal storage containing rocks or fluid filled cans for solar heating and cooling, phase 2

NASA Technical Reports Server (NTRS)

Saha, H.

1981-01-01

The test data and an analysis of the heat transfer characteristics of a solar thermal energy storage bed utilizing water filled cans and standard bricks as energy storage medium are presented. This experimental investigation was initiated to find a usable heat intensive solar thermal storage device other than rock storage and water tank. Four different sizes of soup cans were stacked in a chamber in three different arrangements-vertical, horizontal, and random. Air is used as transfer medium for charging and discharge modes at three different mass flow rates and inlet air temperature respectively. These results are analyzed and compared, which show that a vertical stacking and medium size cans with Length/Diameter (L/D) ratio close to one have better average characteristics of heat transfer and pressure drop.

Deep-inelastic multinucleon transfer processes in the 16O+27Al reaction

NASA Astrophysics Data System (ADS)

Roy, B. J.; Sawant, Y.; Patwari, P.; Santra, S.; Pal, A.; Kundu, A.; Chattopadhyay, D.; Jha, V.; Pandit, S. K.; Parkar, V. V.; Ramachandran, K.; Mahata, K.; Nayak, B. K.; Saxena, A.; Kailas, S.; Nag, T. N.; Sahoo, R. N.; Singh, P. P.; Sekizawa, K.

2018-03-01

The reaction mechanism of deep-inelastic multinucleon transfer processes in the 16O+27Al reaction at an incident 16O energy (Elab=134 MeV) substantially above the Coulomb barrier has been studied both experimentally and theoretically. Elastic-scattering angular distribution, total kinetic energy loss spectra, and angular distributions for various transfer channels have been measured. The Q -value- and angle-integrated isotope production cross sections have been deduced. To obtain deeper insight into the underlying reaction mechanism, we have carried out a detailed analysis based on the time-dependent Hartree-Fock (TDHF) theory. A recently developed method, TDHF+GEMINI, has been applied to evaluate production cross sections for secondary products. From a comparison between the experimental and theoretical cross sections, we find that the theory qualitatively reproduces the experimental data. Significant effects of secondary light-particle emissions are demonstrated. Possible interplay among fusion-fission, deep-inelastic, multinucleon transfer, and particle evaporation processes is discussed.

Enhancing the absorption and energy transfer process via quantum entanglement

NASA Astrophysics Data System (ADS)

Zong, Xiao-Lan; Song, Wei; Zhou, Jian; Yang, Ming; Yu, Long-Bao; Cao, Zhuo-Liang

2018-07-01

The quantum network model is widely used to describe the dynamics of excitation energy transfer in photosynthesis complexes. Different from the previous schemes, we explore a specific network model, which includes both light-harvesting and energy transfer process. Here, we define a rescaled measure to manifest the energy transfer efficiency from external driving to the sink, and the external driving fields are used to simulate the energy absorption process. To study the role of initial state in the light-harvesting and energy transfer process, we assume the initial state of the donors to be two-qubit and three-qubit entangled states, respectively. In the two-qubit initial state case, we find that the initial entanglement between the donors can help to improve the absorption and energy transfer process for both the near-resonant and large-detuning cases. For the case of three-qubit initial state, we can see that the transfer efficiency will reach a larger value faster in the tripartite entanglement case compared to the bipartite entanglement case.

Cross sections of projectile-like fragments in the reaction {sup 19}F+{sup 66}Zn in the beam energy range of 3-6 MeV/nucleon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tripathi, R.; Sudarshan, K.; Sodaye, S.

2009-06-15

Angular distributions of projectile-like fragments (PLFs) have been measured in the reaction {sup 19}F+{sup 66}Zn at E{sub lab}=61,82,92, and 109 MeV to understand their formation in the low energy domain (< or approx. 7 MeV nucleon). In this energy range, maximum angular momentum 'l{sub max}' in the reaction is lower than or close to the critical or limiting angular momentum for complete fusion 'l{sub lim}(CF).' The sum-rule model was modified to explain the cross sections of PLFs in the present study. For the first time, the modified sum-rule model, with a competition of incomplete fusion (ICF) reaction with complete fusionmore » below l{sub lim}(CF) reasonably reproduced the cross sections of PLFs in the beam energy range of the present study. It was observed that the cross sections of lighter PLFs fall more rapidly with decreasing beam energy compared to those of heavier PLFs, suggesting a change in the reaction mechanism from heavier to lighter PLFs. Transfer probabilities for peripheral collisions were calculated within the framework of a semiclassical formalism. The parameters of the nuclear potential required for the calculation of transfer probability were obtained by fitting the elastic scattering data measured in the present work. Calculated transfer probabilities were significantly lower compared to the corresponding experimental values, suggesting a significant overlap of the projectile and the target nuclei in incomplete fusion reactions. The present analysis showed that the overlap of the projectile and the target nuclei increases with increasing mass transfer at a given beam energy and for a given PLF, overlap increases with increasing beam energy.« less

Magnetic to magnetic and kinetic to magnetic energy transfers at the top of the Earth's core

NASA Astrophysics Data System (ADS)

Huguet, Ludovic; Amit, Hagay; Alboussière, Thierry

2016-11-01

We develop the theory for the magnetic to magnetic and kinetic to magnetic energy transfer between different spherical harmonic degrees due to the interaction of fluid flow and radial magnetic field at the top of the Earth's core. We show that non-zero secular variation of the total magnetic energy could be significant and may provide evidence for the existence of stretching secular variation, which suggests the existence of radial motions at the top of the Earth's core-whole core convection or MAC waves. However, the uncertainties of the small scales of the geomagnetic field prevent a definite conclusion. Combining core field and flow models we calculate the detailed magnetic to magnetic and kinetic to magnetic energy transfer matrices. The magnetic to magnetic energy transfer shows a complex behaviour with local and non-local transfers. The spectra of magnetic to magnetic energy transfers show clear maxima and minima, suggesting an energy cascade. The kinetic to magnetic energy transfers, which are much weaker due to the weak poloidal flow, are either local or non-local between degree one and higher degrees. The patterns observed in the matrices resemble energy transfer patterns that are typically found in 3-D MHD numerical simulations.

Matching of renewable source of energy generation graphs and electrical load in local energy system

NASA Astrophysics Data System (ADS)

Lezhniuk, Petro; Komar, Vyacheslav; Sobchuk, Dmytro; Kravchuk, Sergiy; Kacejko, Piotr; Zavidsky, Vladislav

2017-08-01

The paper contains the method of matching generation graph of photovoltaic electric stations and consumers. Characteristic feature of this method is the application of morphometric analysis for assessment of non-uniformity of the integrated graph of energy supply, optimal coefficients of current distribution, that enables by mean of refining the powers, transferring in accordance with the graph , to provide the decrease of electric energy losses in the grid and transport task, as the optimization tool.

Vibrational energy transfer between carbon nanotubes and nonaqueous solvents: a molecular dynamics study.

PubMed

Nelson, Tammie R; Chaban, Vitaly V; Prezhdo, Victor V; Prezhdo, Oleg V

2011-05-12

We report molecular dynamics (MD) simulation of energy exchange between single-walled carbon nanotubes (CNTs) and two aprotic solvents, acetonitrile and cyclohexane. Following our earlier study of hydrated CNTs, we find that the time scales and molecular mechanisms of the energy transfer are largely independent of the nature of the surrounding medium, and therefore, should hold for other media including polymer matrices and DNA. The vibrational energy exchange between CNT and solvents exhibits two time-scales. Over half of the energy is transferred in less than one picosecond, indicating that the dominant exchange mechanism is inertial relaxation. It occurs by collisions of solvent molecules with CNT walls, facilitated by the short-range Lennard-Jones interaction. Additional several picoseconds are required for the remainder of the vibrational energy exchange, corresponding to the diffusive relaxation mechanism and involving collective molecular motions. The faster stage of the CNT-solvent energy exchange occurs on the same time-scale, and therefore, competes with the vibrational energy relaxation inside CNTs. The energy exchange time-scales are significantly influenced by the arrangement of solvent molecules inside CNTs. Generally, the effects of confinement on the dynamics can be rationalized by analysis of the solvent structure. For the same CNT diameter, the extent of the confinement effect strongly depends on the size of the solvent molecules. Icelike properties in water seen in small CNTs disappear in CNTs with intermediate diameters. In acetonitrile and cyclohexane, medium size CNTs still show strong confinement effects. Rotational motions of acetonitrile molecules are inhibited, and the cyclohexane density is dramatically decreased. The disbalance between the local temperatures of the inside and outside regions of the solvent equilibrates through a tube-mediated interaction, rather than by a direct coupling between the two solvent subsystems. In all cases, the CNT-solvent energy transfer is mediated by slow motions in the frequency range of CNT radial breathing modes.

Performance and economic analysis of a plug and play regenerative brake for improving energy efficiency for traction elevators

NASA Astrophysics Data System (ADS)

Jeraputra, Chuttchaval; Tiptipakorn, Supun

2017-05-01

This paper presents performance and economic analysis of a plug and play regenerative brake for improving energy efficiency for traction elevators. The proposed regenerative brake recycles the energy loss of a dynamic brake and feeds into the grid while an elevator inverter is operating in the braking mode. According to field measurement of energy consumption, it reveals that the efficiency can be improved as much as 18%. The prototype of a regenerative brake 12 kW, 400V, 3ϕ is developed and tested on an elevator simulator. It is shown that it can transfer energy out of a DC capacitor before the dynamic brake kicks in. Further, an economic analysis is provided to carry out the payback period and the present worth equivalent to confirm economic feasibility.

The dynamics of energy and charge transfer in low and hyperthermal energy ion-solid interactions

NASA Astrophysics Data System (ADS)

Ray, Matthew Preston

The energy and charge transfer dynamics for low and hyperthermal energy (10 eV to 2 keV) alkali and noble gas ions impacting noble metals as a function of incident energy, species and scattering geometry has been studied. The experiments were performed in an ultra-high vacuum scattering chamber attached to a low and hyperthermal energy beamline. The energy transfer was measured for K+ scattered from a Ag(001) surface along the [110] crystalline direction at a fixed laboratory angle of 90°. It was found that as the incident energy is reduced from 100 to 10 eV, the normalized scattered energy increased. Previous measurements have shown a decrease in the normalized energy as the incident ion energy is reduced due to an attractive image force. Trajectory analysis of the data using a classical scattering simulation revealed that instead of undergoing sequential binary collisions as in previous studies, the ion scatters from two surface atoms simultaneously leading to an increased normalized energy. Additionally, charge transfer measurements have been performed for Na + scattering from Ag(001) along the [110] crystalline direction at a fixed laboratory angle of 70°. It was found that over the range of energies used (10 eV to 2 keV), the neutralization probability of the scattered ions varied from ˜30% to ˜70% depending on the incident velocity, consistent with resonant charge transfer. A fully quantum mechanical model that treats electrons independently accurately reproduces the observed data. Measurements of electron-hole pair excitations were used to explore the pathways which a solid uses to dissipate the energy imparted by the incident ion beam. Ultrathin film (10 nm) metal-oxide-semiconductor (Au/SiO2/n-Si) devices were used to detect the electron-hole pairs for cases when the ion deposited all of its translational energy into the solid. The incident ions were incident at an angle normal to the surface of the device to maximize energy deposition and consequently electron-hole pair production. The rectifying metal-oxide-semiconductor device separates the electrons from the holes, allowing a current associated with electron-hole pair production to be measured. In these experiments a number of ion species (He+, Li+ , Ar+, K+) were made incident on multiple devices and the incident energy ranged from 100 eV to 2 keV. It was found that electron-hole pair production increased with incident ion velocity consistent with a kinetic electron excitation model where the electrons in the metal are partially confined to the surface.

Effect of compound nuclear reaction mechanism in 12C(6Li,d) reaction at sub-Coulomb energy

NASA Astrophysics Data System (ADS)

Mondal, Ashok; Adhikari, S.; Basu, C.

2017-09-01

The angular distribution of the 12C(6Li,d) reaction populating the 6.92 and 7.12 MeV states of 16O at sub-Coulomb energy (Ecm=3 MeV) are analysed in the framework of the Distorted Wave Born Approximation (DWBA). Recent results on excitation function measurements and backward angle angular distributions derive ANC for both the states on the basis of an alpha transfer mechanism. In the present work, we show that considering both forward and backward angle data in the analysis, the 7.12 MeV state at sub-Coulomb energy is populated from Compound nuclear process rather than transfer process. The 6.92 MeV state is however produced from direct reaction mechanism.

Investigation of mass transfer intensification under power ultrasound irradiation using 3D computational simulation: A comparative analysis.

PubMed

Sajjadi, Baharak; Asgharzadehahmadi, Seyedali; Asaithambi, Perumal; Raman, Abdul Aziz Abdul; Parthasarathy, Rajarathinam

2017-01-01

This paper aims at investigating the influence of acoustic streaming induced by low-frequency (24kHz) ultrasound irradiation on mass transfer in a two-phase system. The main objective is to discuss the possible mass transfer improvements under ultrasound irradiation. Three analyses were conducted: i) experimental analysis of mass transfer under ultrasound irradiation; ii) comparative analysis between the results of the ultrasound assisted mass transfer with that obtained from mechanically stirring; and iii) computational analysis of the systems using 3D CFD simulation. In the experimental part, the interactive effects of liquid rheological properties, ultrasound power and superficial gas velocity on mass transfer were investigated in two different sonicators. The results were then compared with that of mechanical stirring. In the computational part, the results were illustrated as a function of acoustic streaming behaviour, fluid flow pattern, gas/liquid volume fraction and turbulence in the two-phase system and finally the mass transfer coefficient was specified. It was found that additional turbulence created by ultrasound played the most important role on intensifying the mass transfer phenomena compared to that in stirred vessel. Furthermore, long residence time which depends on geometrical parameters is another key for mass transfer. The results obtained in the present study would help researchers understand the role of ultrasound as an energy source and acoustic streaming as one of the most important of ultrasound waves on intensifying gas-liquid mass transfer in a two-phase system and can be a breakthrough in the design procedure as no similar studies were found in the existing literature. Copyright © 2016. Published by Elsevier B.V.

Calculating the free energy of transfer of small solutes into a model lipid membrane: Comparison between metadynamics and umbrella sampling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bochicchio, Davide; Panizon, Emanuele; Ferrando, Riccardo

2015-10-14

We compare the performance of two well-established computational algorithms for the calculation of free-energy landscapes of biomolecular systems, umbrella sampling and metadynamics. We look at benchmark systems composed of polyethylene and polypropylene oligomers interacting with lipid (phosphatidylcholine) membranes, aiming at the calculation of the oligomer water-membrane free energy of transfer. We model our test systems at two different levels of description, united-atom and coarse-grained. We provide optimized parameters for the two methods at both resolutions. We devote special attention to the analysis of statistical errors in the two different methods and propose a general procedure for the error estimation inmore » metadynamics simulations. Metadynamics and umbrella sampling yield the same estimates for the water-membrane free energy profile, but metadynamics can be more efficient, providing lower statistical uncertainties within the same simulation time.« less

Finite element procedures for coupled linear analysis of heat transfer, fluid and solid mechanics

NASA Technical Reports Server (NTRS)

Sutjahjo, Edhi; Chamis, Christos C.

1993-01-01

Coupled finite element formulations for fluid mechanics, heat transfer, and solid mechanics are derived from the conservation laws for energy, mass, and momentum. To model the physics of interactions among the participating disciplines, the linearized equations are coupled by combining domain and boundary coupling procedures. Iterative numerical solution strategy is presented to solve the equations, with the partitioning of temporal discretization implemented.

The security energy encryption in wireless power transfer

NASA Astrophysics Data System (ADS)

Sadzali, M. N.; Ali, A.; Azizan, M. M.; Albreem, M. A. M.

2017-09-01

This paper presents a concept of security in wireless power transfer (WPT) by applying chaos theory. Chaos theory is applied as a security system in order to safeguard the transfer of energy from a transmitter to the intended receiver. The energy encryption of the wireless power transfer utilizes chaos theory to generate the possibility of a logistic map for the chaotic security key. The simulation for energy encryption wireless power transfer system was conducted by using MATLAB and Simulink. By employing chaos theory, the chaotic key ensures the transmission of energy from transmitter to its intended receiver.

Role of alloying elements in adhesive transfer and friction of copper-base alloys

NASA Technical Reports Server (NTRS)

Buckley, D. H.

1978-01-01

Sliding friction experiments were conducted in a vacuum with binary-copper alloy riders sliding against a conventional bearing-steel surface with normal residual oxides present. The binary alloys contained 1 atomic percent of various alloying elements. Auger spectroscopy analysis was used to monitor the adhesive transfer of the copper alloys to the bearing-steel surface. A relation was found to exist between adhesive transfer and the reaction potential and free energy of formation of the alloying element in the copper. The more chemically active the element and the more stable its oxide, the greater was the adhesive transfer and wear of the copper alloy. Transfer occurred in all the alloys except copper-gold after relatively few (25) passes across the steel surface.

Sensitization of ultra-long-range excited-state electron transfer by energy transfer in a polymerized film

PubMed Central

Ito, Akitaka; Stewart, David J.; Fang, Zhen; Brennaman, M. Kyle; Meyer, Thomas J.

2012-01-01

Distance-dependent energy transfer occurs from the Metal-to-Ligand Charge Transfer (MLCT) excited state to an anthracene-acrylate derivative (Acr-An) incorporated into the polymer network of a semirigid poly(ethyleneglycol)dimethacrylate monolith. Following excitation, to Acr-An triplet energy transfer occurs followed by long-range, Acr-3An—Acr-An → Acr-An—Acr-3An, energy migration. With methyl viologen dication (MV2+) added as a trap, Acr-3An + MV2+ → Acr-An+ + MV+ electron transfer results in sensitized electron transfer quenching over a distance of approximately 90 Å. PMID:22949698

Aeronautics systems technology studies

NASA Technical Reports Server (NTRS)

Bauchspies, J. S.

1983-01-01

Data collection and analysis in the areas of air transportation, aircraft manufacturing and sales, airline operations, market projections, internal trade, and energy consumption; legislation and regulations, technology needs; surveys; decision-making; cost analyses; and technology transfer are discussed.

Synthesis, Photoluminescence Behavior of Green Light Emitting Tb(III) Complexes and Mechanistic Investigation of Energy Transfer Process.

PubMed

Bala, Manju; Kumar, Satish; Devi, Rekha; Khatkar, Avni; Taxak, V B; Boora, Priti; Khatkar, S P

2018-06-04

A series of five new terbium(III) ion complexes with 4,4-difluoro-1-phenylbutane-1,3-dione (HDPBD) and anciliary ligands was synthesized. The composition and properties of complexes were analyzed by elemental analysis, IR, NMR, powder X-ray diffaraction, TG-DTG and photoluminescence spectroscopy. These complexes exhibited ligand sensitized green emission at 546 nm associated with 5 D 4  →  7 F 5 transitions of terbium ion in the emission spectra. The photoluminescence study manifested that the organic ligands act as antenna and facilitate the absorbed energy to emitting levels of Tb(III) ion efficiently. The enhanced luminescence intensity and decay time of ternary C2-C5 complexes observed due to synergistic effect of anciliary ligands. The CIE color coordinates of complexes came under the green region of chromaticity diagram. The mechanistic investigation of intramolecular energy transfer in the complexes was discussed in detail. These terbium(III) complexes can be thrivingly used as one of the green component in light emitting material and in display devices. Graphical Abstract Illustrate the sensitization process of the Tb ion and intramolecular energy transfer process in the Tb 3+ complex.

Shell Thickness Dependence of Interparticle Energy Transfer in Core-Shell ZnSe/ZnSe Quantum Dots Doping with Europium

NASA Astrophysics Data System (ADS)

Liu, Ni; Li, Shuxin; Wang, Caifeng; Li, Jie

2018-04-01

Low-toxic core-shell ZnSe:Eu/ZnS quantum dots (QDs) were prepared through two steps in water solution: nucleation doping and epitaxial shell grown. The structural and morphological characteristics of ZnSe/ZnS:Eu QDs with different shell thickness were explored by transmission electron microscopy (TEM) and X-ray diffraction (XRD) results. The characteristic photoluminescence (PL) intensity of Eu ions was enhanced whereas that of band-edge luminescence and defect-related luminescence of ZnSe QDs was decreased with increasing shell thickness. The transformation of PL intensity revealed an efficient energy transfer process between ZnSe and Eu. The PL intensity ratio of Eu ions ( I 613) to ZnSe QDs ( I B ) under different shell thickness was systemically analyzed by PL spectra and time-resolved PL spectra. The obtained results were in agreement with the theory analysis results by the kinetic theory of energy transfer, revealing that energy was transmitted in the form of dipole-electric dipole interaction. This particular method of adjusting luminous via changing the shell thickness can provide valuable insights towards the fundamental understanding and application of QDs in the field of optoelectronics.

Ultrafast Energy Transfer Dynamics Between a Polypyridyl Ru(II) Chromophore and a Covalently Attached Acceptor

NASA Astrophysics Data System (ADS)

Styers-Barnett, David; Gannon, Erika; Papanikolas, John; Meyer, Thomas

2003-03-01

The energy transfer dynamics between the ^3MLCT excited state of a polypyridyl Ru(II) chromophore and a ligand-bound anthracene has been studied using femtosecond transient absorption spectroscopy. Photoexcitation of the metal complex at 450 nm promotes an electron from a d-orbital on the metal to a π* orbital on the bipyridine, forming a metal-to-ligand charge-transfer (MLCT) excited state. Energy transfer to the covalently appended anthracene is followed by the growth of the anthracene excited state absorption at 425 nm, and the simultaneous decay of the ^3MLCT absorption at 380 nm. The observed growth is biexponential, with the fast component attributed to energy transfer (19 ps), and the slow component arising from a combination of interligand electron transfer between the polypyridyl ligands and energy transfer (75 ps).

Effects of variable specific heat on energy transfer in a high-temperature supersonic channel flow

NASA Astrophysics Data System (ADS)

Chen, Xiaoping; Li, Xiaopeng; Dou, Hua-Shu; Zhu, Zuchao

2018-05-01

An energy transfer mechanism in high-temperature supersonic turbulent flow for variable specific heat (VSH) condition through turbulent kinetic energy (TKE), mean kinetic energy (MKE), turbulent internal energy (TIE) and mean internal energy (MIE) is proposed. The similarities of energy budgets between VSH and constant specific heat (CSH) conditions are investigated by introducing a vibrational energy excited degree and considering the effects of fluctuating specific heat. Direct numerical simulation (DNS) of temporally evolving high-temperature supersonic turbulent channel flow is conducted at Mach number 3.0 and Reynolds number 4800 combined with a constant dimensional wall temperature 1192.60 K for VSH and CSH conditions to validate the proposed energy transfer mechanism. The differences between the terms in the two kinetic energy budgets for VSH and CSH conditions are small; however, the magnitude of molecular diffusion term for VSH condition is significantly smaller than that for CSH condition. The non-negligible energy transfer is obtained after neglecting several small terms of diffusion, dissipation and compressibility related. The non-negligible energy transfer involving TIE includes three processes, in which energy can be gained from TKE and MIE and lost to MIE. The same non-negligible energy transfer through TKE, MKE and MIE is observed for both the conditions.

Experimental insights on the electron transfer and energy transfer processes between Ce{sup 3+}-Yb{sup 3+} and Ce{sup 3+}-Tb{sup 3+} in borate glass

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sontakke, Atul D., E-mail: sontakke.atul.55a@st.kyoto-u.ac.jp; Katayama, Yumiko; Tanabe, Setsuhisa

2015-03-30

A facile method to describe the electron transfer and energy transfer processes among lanthanide ions is presented based on the temperature dependent donor luminescence decay kinetics. The electron transfer process in Ce{sup 3+}-Yb{sup 3+} exhibits a steady rise with temperature, whereas the Ce{sup 3+}-Tb{sup 3+} energy transfer remains nearly unaffected. This feature has been investigated using the rate equation modeling and a methodology for the quantitative estimation of interaction parameters is presented. Moreover, the overall consequences of electron transfer and energy transfer process on donor-acceptor luminescence behavior, quantum efficiency, and donor luminescence decay kinetics are discussed in borate glass host.more » The results in this study propose a straight forward approach to distinguish the electron transfer and energy transfer processes between lanthanide ions in dielectric hosts, which is highly advantageous in view of the recent developments on lanthanide doped materials for spectral conversion, persistent luminescence, and related applications.« less

Electronic Delocalization, Vibrational Dynamics and Energy Transfer in Organic Chromophores

DOE PAGES

Nelson, Tammie Renee; Fernandez Alberti, Sebastian; Roitberg, Adrian; ...

2017-06-12

The efficiency of materials developed for solar energy and technological applications depends on the interplay between molecular architecture and light-induced electronic energy redistribution. The spatial localization of electronic excitations is very sensitive to molecular distortions. Vibrational nuclear motions can couple to electronic dynamics driving changes in localization. The electronic energy transfer among multiple chromophores arises from several distinct mechanisms that can give rise to experimentally measured signals. Atomistic simulations of coupled electron-vibrational dynamics can help uncover the nuclear motions directing energy flow. Through careful analysis of excited state wave function evolution and a useful fragmenting of multichromophore systems, through-bond transportmore » and exciton hopping (through-space) mechanisms can be distinguished. Such insights are crucial in the interpretation of fluorescence anisotropy measurements and can aid materials design. Finally, this Perspective highlights the interconnected vibrational and electronic motions at the foundation of nonadiabatic dynamics where nuclear motions, including torsional rotations and bond vibrations, drive electronic transitions.« less

Coupling of damped and growing modes in unstable shear flow

DOE PAGES

Fraser, A. E.; Terry, P. W.; Zweibel, E. G.; ...

2017-06-14

Analysis of the saturation of the Kelvin-Helmholtz instability is undertaken to determine the extent to which the conjugate linearly stable mode plays a role. For a piecewise-continuous mean flow profile with constant shear in a fixed layer, it is shown that the stable mode is nonlinearly excited, providing an injection-scale sink of the fluctuation energy similar to what has been found for gyroradius-scale drift-wave turbulence. Quantitative evaluation of the contribution of the stable mode to the energy balance at the onset of saturation shows that nonlinear energy transfer to the stable mode is as significant as energy transfer to smallmore » scales in balancing energy injected into the spectrum by the instability. The effect of the stable mode on momentum transport is quantified by expressing the Reynolds stress in terms of stable and unstable mode amplitudes at saturation, from which it is found that the stable mode can produce a sizable reduction in the momentum flux.« less

Coupling of damped and growing modes in unstable shear flow

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fraser, A. E.; Terry, P. W.; Zweibel, E. G.

Analysis of the saturation of the Kelvin-Helmholtz instability is undertaken to determine the extent to which the conjugate linearly stable mode plays a role. For a piecewise-continuous mean flow profile with constant shear in a fixed layer, it is shown that the stable mode is nonlinearly excited, providing an injection-scale sink of the fluctuation energy similar to what has been found for gyroradius-scale drift-wave turbulence. Quantitative evaluation of the contribution of the stable mode to the energy balance at the onset of saturation shows that nonlinear energy transfer to the stable mode is as significant as energy transfer to smallmore » scales in balancing energy injected into the spectrum by the instability. The effect of the stable mode on momentum transport is quantified by expressing the Reynolds stress in terms of stable and unstable mode amplitudes at saturation, from which it is found that the stable mode can produce a sizable reduction in the momentum flux.« less

10 CFR 490.506 - Alternative fueled vehicle credit transfers.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 3 2011-01-01 2011-01-01 false Alternative fueled vehicle credit transfers. 490.506 Section 490.506 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ALTERNATIVE FUEL TRANSPORTATION PROGRAM Alternative Fueled Vehicle Credit Program § 490.506 Alternative fueled vehicle credit transfers. (a) Any fleet...

10 CFR 490.506 - Alternative fueled vehicle credit transfers.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 3 2013-01-01 2013-01-01 false Alternative fueled vehicle credit transfers. 490.506 Section 490.506 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ALTERNATIVE FUEL TRANSPORTATION PROGRAM Alternative Fueled Vehicle Credit Program § 490.506 Alternative fueled vehicle credit transfers. (a) Any fleet...

10 CFR 490.506 - Alternative fueled vehicle credit transfers.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 3 2010-01-01 2010-01-01 false Alternative fueled vehicle credit transfers. 490.506 Section 490.506 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ALTERNATIVE FUEL TRANSPORTATION PROGRAM Alternative Fueled Vehicle Credit Program § 490.506 Alternative fueled vehicle credit transfers. (a) Any fleet...

10 CFR 490.506 - Alternative fueled vehicle credit transfers.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 3 2012-01-01 2012-01-01 false Alternative fueled vehicle credit transfers. 490.506 Section 490.506 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ALTERNATIVE FUEL TRANSPORTATION PROGRAM Alternative Fueled Vehicle Credit Program § 490.506 Alternative fueled vehicle credit transfers. (a) Any fleet...

10 CFR 490.506 - Alternative fueled vehicle credit transfers.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 3 2014-01-01 2014-01-01 false Alternative fueled vehicle credit transfers. 490.506 Section 490.506 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ALTERNATIVE FUEL TRANSPORTATION PROGRAM Alternative Fueled Vehicle Credit Program § 490.506 Alternative fueled vehicle credit transfers. (a) Any fleet...

Visual prosthesis wireless energy transfer system optimal modeling.

PubMed

Li, Xueping; Yang, Yuan; Gao, Yong

2014-01-16

Wireless energy transfer system is an effective way to solve the visual prosthesis energy supply problems, theoretical modeling of the system is the prerequisite to do optimal energy transfer system design. On the basis of the ideal model of the wireless energy transfer system, according to visual prosthesis application condition, the system modeling is optimized. During the optimal modeling, taking planar spiral coils as the coupling devices between energy transmitter and receiver, the effect of the parasitic capacitance of the transfer coil is considered, and especially the concept of biological capacitance is proposed to consider the influence of biological tissue on the energy transfer efficiency, resulting in the optimal modeling's more accuracy for the actual application. The simulation data of the optimal model in this paper is compared with that of the previous ideal model, the results show that under high frequency condition, the parasitic capacitance of inductance and biological capacitance considered in the optimal model could have great impact on the wireless energy transfer system. The further comparison with the experimental data verifies the validity and accuracy of the optimal model proposed in this paper. The optimal model proposed in this paper has a higher theoretical guiding significance for the wireless energy transfer system's further research, and provide a more precise model reference for solving the power supply problem in visual prosthesis clinical application.

Visual prosthesis wireless energy transfer system optimal modeling

PubMed Central

2014-01-01

Background Wireless energy transfer system is an effective way to solve the visual prosthesis energy supply problems, theoretical modeling of the system is the prerequisite to do optimal energy transfer system design. Methods On the basis of the ideal model of the wireless energy transfer system, according to visual prosthesis application condition, the system modeling is optimized. During the optimal modeling, taking planar spiral coils as the coupling devices between energy transmitter and receiver, the effect of the parasitic capacitance of the transfer coil is considered, and especially the concept of biological capacitance is proposed to consider the influence of biological tissue on the energy transfer efficiency, resulting in the optimal modeling’s more accuracy for the actual application. Results The simulation data of the optimal model in this paper is compared with that of the previous ideal model, the results show that under high frequency condition, the parasitic capacitance of inductance and biological capacitance considered in the optimal model could have great impact on the wireless energy transfer system. The further comparison with the experimental data verifies the validity and accuracy of the optimal model proposed in this paper. Conclusions The optimal model proposed in this paper has a higher theoretical guiding significance for the wireless energy transfer system’s further research, and provide a more precise model reference for solving the power supply problem in visual prosthesis clinical application. PMID:24428906

Classical Trajectory Study of Collision Energy Transfer between Ne and C2H2 on a Full Dimensional Accurate Potential Energy Surface.

PubMed

Liu, Yang; Huang, Yin; Ma, Jianyi; Li, Jun

2018-02-15

Collision energy transfer plays an important role in gas phase reaction kinetics and relaxation of excited molecules. However, empirical treatments are generally adopted for the collisional energy transfer in the master equation based approach. In this work, classical trajectory approach is employed to investigate the collision energy transfer dynamics in the C 2 H 2 -Ne system. The entire potential energy surface is described as the sum of the C 2 H 2 potential and interaction potential between C 2 H 2 and Ne. It is highlighted that both parts of the entire potential are highly accurate. In particular, the interaction potential is fit to ∼41 300 configurations determined at the level of CCSD(T)-F12a/cc-pCVTZ-F12 with the counterpoise correction. Collision energy transfer dynamics are then carried out on this benchmark potential and the widely used Lennard-Jones and Buckingham interaction potentials. Energy transfers and related probability densities at different collisional energies are reported and discussed.

Microscopic time-dependent analysis of neutrons transfers at low-energy nuclear reactions with spherical and deformed nuclei

NASA Astrophysics Data System (ADS)

Samarin, Viacheslav

2014-03-01

Time-dependent Schrödinger equation is numerically solved by difference method for external neutrons of nuclei 6He, 18O, 48Са, 238U at their grazing collisions with energies in the vicinity of a Coulomb barrier. The spin-orbital interaction and Pauli's exclusion principle were taken into consideration during the solution.

Heat pipes and their use in technology

NASA Technical Reports Server (NTRS)

Vasilyev, L.

1977-01-01

Heat pipes may be employed as temperature regulators, heat diodes, transformers, storage batteries, or utilized for transforming thermal energy into mechanical, electric, or other forms of energy. General concepts were established for the analysis of the transfer process in heat pipes. A system of equations was developed to describe the thermodynamics of steam passage through a cross section of a heat pipe.

Energy transfer and colour tunability in UV light induced Tm3+/Tb3+/Eu3+: ZnB glasses generating white light emission.

PubMed

Naresh, V; Gupta, Kiran; Parthasaradhi Reddy, C; Ham, Byoung S

2017-03-15

A promising energy transfer (Tm 3+ →Tb 3+ →Eu 3+ ) approach is brought forward to generate white light emission under ultraviolet (UV) light excitation for solid state lightening. Tm 3+ /Tb 3+ /Eu 3+ ions are combinedly doped in zinc borate glass system in view of understanding energy transfer process resulting in white light emission. Zinc borate (host) glass displayed optical and luminescence properties due to formation of Zn(II) x -[O(-II)] y centres in the ZnB glass matrix. At 360nm (UV) excitation, triply doped Tm 3+ /Tb 3+ /Eu 3+ : ZnB glasses simultaneously shown their characteristic emission bands in blue (454nm: 1 D 2 → 3 F 4 ), green (547nm: 5 D 4 → 7 F 5 ) and red (616nm: 5 D 0 → 7 F 2 ) regions. In triple ions doped glasses, energy transfer dynamics is discussed in terms of Forster-Dexter theory, excitation & emission profiles, lifetime curves and from partial energy level diagram of three ions. The role of Tb 3+ in ET from Tm 3+ →Eu 3+ was discussed using branch model. From emission decay analysis, energy transfer probability (P) and efficiency (η) were evaluated. Colour tunability from blue to white on varying (Tb 3+ , Eu 3+ ) content is demonstrated from Commission Internationale de L'Eclairage (CIE) chromaticity coordinates. Based on chromaticity coordinates, other colour related parameters like correlated colour temperature (CCT) and colour purity are also computed for the studied glass samples. An appropriate blending of such combination of rare earth ions could show better suitability as potential candidates in achieving multi-colour and warm/cold white light emission for white LEDs application in the field of solid state lightening. Copyright © 2016 Elsevier B.V. All rights reserved.

RACLETTE: a model for evaluating the thermal response of plasma facing components to slow high power plasma transients. Part I: Theory and description of model capabilities

NASA Astrophysics Data System (ADS)

Raffray, A. René; Federici, Gianfranco

1997-04-01

RACLETTE (Rate Analysis Code for pLasma Energy Transfer Transient Evaluation), a comprehensive but relatively simple and versatile model, was developed to help in the design analysis of plasma facing components (PFCs) under 'slow' high power transients, such as those associated with plasma vertical displacement events. The model includes all the key surface heat transfer processes such as evaporation, melting, and radiation, and their interaction with the PFC block thermal response and the coolant behaviour. This paper represents part I of two sister and complementary papers. It covers the model description, calibration and validation, and presents a number of parametric analyses shedding light on and identifying trends in the PFC armour block response to high plasma energy deposition transients. Parameters investigated include the plasma energy density and deposition time, the armour thickness and the presence of vapour shielding effects. Part II of the paper focuses on specific design analyses of ITER plasma facing components (divertor, limiter, primary first wall and baffle), including improvements in the thermal-hydraulic modeling required for better understanding the consequences of high energy deposition transients in particular for the ITER limiter case.

Instantaneous normal mode analysis of the vibrational relaxation of the amide I mode of alanine dipeptide in water.

PubMed

Farag, Marwa H; Zúñiga, José; Requena, Alberto; Bastida, Adolfo

2013-05-28

Nonequilibrium Molecular Dynamics (MD) simulations coupled to instantaneous normal modes (INMs) analysis are used to study the vibrational relaxation of the acetyl and amino-end amide I modes of the alanine dipeptide (AlaD) molecule dissolved in water (D2O). The INMs are assigned in terms of the equilibrium normal modes using the Effective Atomic Min-Cost algorithm as adapted to make use of the outputs of standard MD packages, a method which is well suited for the description of flexible molecules. The relaxation energy curves of both amide I modes show multiexponential decays, in good agreement with the experimental findings. It is found that ~85%-90% of the energy relaxes through intramolecular vibrational redistribution. The main relaxation pathways are also identified. The rate at which energy is transferred into the solvent is similar for the acetyl-end and amino-end amide I modes. The conformational changes occurring during relaxation are investigated, showing that the populations of the alpha and beta region conformers are altered by energy transfer in such a way that it takes 15 ps for the equilibrium conformational populations to be recovered after the initial excitation of the AlaD molecule.

Vibro-Shock Dynamics Analysis of a Tandem Low Frequency Resonator-High Frequency Piezoelectric Energy Harvester.

PubMed

Žižys, Darius; Gaidys, Rimvydas; Ostaševičius, Vytautas; Narijauskaitė, Birutė

2017-04-27

Frequency up-conversion is a promising technique for energy harvesting in low frequency environments. In this approach, abundantly available environmental motion energy is absorbed by a Low Frequency Resonator (LFR) which transfers it to a high frequency Piezoelectric Vibration Energy Harvester (PVEH) via impact or magnetic coupling. As a result, a decaying alternating output signal is produced, that can later be collected using a battery or be transferred directly to the electric load. The paper reports an impact-coupled frequency up-converting tandem setup with different LFR to PVEH natural frequency ratios and varying contact point location along the length of the harvester. RMS power output of different frequency up-converting tandems with optimal resistive values was found from the transient analysis revealing a strong relation between power output and LFR-PVEH natural frequency ratio as well as impact point location. Simulations revealed that higher power output is obtained from a higher natural frequency ratio between LFR and PVEH, an increase of power output by one order of magnitude for a doubled natural frequency ratio and up to 150% difference in power output from different impact point locations. The theoretical results were experimentally verified.

Vibronic coupling explains the ultrafast carotenoid-to-bacteriochlorophyll energy transfer in natural and artificial light harvesters

NASA Astrophysics Data System (ADS)

Perlík, Václav; Seibt, Joachim; Cranston, Laura J.; Cogdell, Richard J.; Lincoln, Craig N.; Savolainen, Janne; Šanda, František; Mančal, Tomáš; Hauer, Jürgen

2015-06-01

The initial energy transfer steps in photosynthesis occur on ultrafast timescales. We analyze the carotenoid to bacteriochlorophyll energy transfer in LH2 Marichromatium purpuratum as well as in an artificial light-harvesting dyad system by using transient grating and two-dimensional electronic spectroscopy with 10 fs time resolution. We find that Förster-type models reproduce the experimentally observed 60 fs transfer times, but overestimate coupling constants, which lead to a disagreement with both linear absorption and electronic 2D-spectra. We show that a vibronic model, which treats carotenoid vibrations on both electronic ground and excited states as part of the system's Hamiltonian, reproduces all measured quantities. Importantly, the vibronic model presented here can explain the fast energy transfer rates with only moderate coupling constants, which are in agreement with structure based calculations. Counterintuitively, the vibrational levels on the carotenoid electronic ground state play the central role in the excited state population transfer to bacteriochlorophyll; resonance between the donor-acceptor energy gap and the vibrational ground state energies is the physical basis of the ultrafast energy transfer rates in these systems.

Analysis of Yb3+/Er3+-codoped microring resonator cross-grid matrices

NASA Astrophysics Data System (ADS)

Vallés, Juan A.; Gǎlǎtuş, Ramona

2014-09-01

An analytic model of the scattering response of a highly Yb3+/Er3+-codoped phosphate glass microring resonator matrix is considered to obtain the transfer functions of an M x N cross-grid microring resonator structure. Then a detailed model is used to calculate the pump and signal propagation, including a microscopic statistical formalism to describe the high-concentration induced energy-transfer mechanisms and passive and active features are combined to realistically simulate the performance as a wavelength-selective amplifier or laser. This analysis allows the optimization of these structures for telecom or sensing applications.

Definition and determination of the triplet-triplet energy transfer reaction coordinate.

PubMed

Zapata, Felipe; Marazzi, Marco; Castaño, Obis; Acuña, A Ulises; Frutos, Luis Manuel

2014-01-21

A definition of the triplet-triplet energy transfer reaction coordinate within the very weak electronic coupling limit is proposed, and a novel theoretical formalism is developed for its quantitative determination in terms of internal coordinates The present formalism permits (i) the separation of donor and acceptor contributions to the reaction coordinate, (ii) the identification of the intrinsic role of donor and acceptor in the triplet energy transfer process, and (iii) the quantification of the effect of every internal coordinate on the transfer process. This formalism is general and can be applied to classical as well as to nonvertical triplet energy transfer processes. The utility of the novel formalism is demonstrated here by its application to the paradigm of nonvertical triplet-triplet energy transfer involving cis-stilbene as acceptor molecule. In this way the effect of each internal molecular coordinate in promoting the transfer rate, from triplet donors in the low and high-energy limit, could be analyzed in detail.

Energy transfer and 2.0 μm emission in Tm{sup 3+}/Ho{sup 3+} co-doped α-NaYF{sub 4} single crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feng, Zhigang; Yang, Shuo; Xia, Haiping, E-mail: hpxcm@nbu.edu.cn

2016-04-15

Highlights: • Cubic NaYF{sub 4} single crystals co-doped with ∼1.90 mol% Tm{sup 3+} and various Ho{sup 3+} concentrations were grown by Bridgman method. • The maximum fluorescence lifetime was 23.23 ms for Tm{sup 3+} (1.90 mol%)/Ho{sup 3+} (3.89 mol%) co-doped α-NaYF{sub 4}. • The obtained energy transfer rate (W{sub ET}) and energy transfer efficiency (η) of Tm{sup 3+}:{sup 3}F{sub 4} are 1077 s{sup −1} and 95.0%, respectively. • The maximum emission cross section reached 1.06 × 10{sup −20} cm{sup 2}. - Abstract: Cubic NaYF{sub 4} single crystals co-doped with ∼1.90 mol% Tm{sup 3+} and various Ho{sup 3+} concentrations were grownmore » by Bridgman method. The energy transfer from Tm{sup 3+} to Ho{sup 3+} and the optimum fluorescence emission around 2.04 μm of Ho{sup 3+} ion were investigated based on the measured absorption spectra, emission spectra, emission cross section and decay curves under excitation of 800 nm LD. The emission intensity at 2.04 μm increased with the increase of Ho{sup 3+} concentration from 0.96 mol% to 3.89 mol% when the concentration of Tm{sup 3+} was held constantly at ∼1.90 mol%. Moreover, the maximum emission cross section reached 1.06 × 10{sup −20} cm{sup 2} and the maximum fluorescence lifetime was 23.23 ms for Tm{sup 3+}(1.90 mol%)/Ho{sup 3+}(3.89 mol%) co-doped one. According to the measured lifetime of Tm{sup 3+} single-doped and Tm{sup 3+}/Ho{sup 3+} co-doped samples, the maximum energy transfer efficiency of Tm{sup 3+}:{sup 3}F{sub 4} level was 95.0%. Analysis on the fluorescence dynamics indicated that electric dipole–dipole is dominant for the energy transfer from Tm{sup 3+} to Ho{sup 3+}.« less

Assessment of the Subgrid-Scale Models at Low and High Reynolds Numbers

NASA Technical Reports Server (NTRS)

Horiuti, K.

1996-01-01

Accurate SGS models must be capable of correctly representing the energy transfer between GS and SGS. Recent direct assessment of the energy transfer carried out using direct numerical simulation (DNS) data for wall-bounded flows revealed that the energy exchange is not unidirectional. Although GS kinetic energy is transferred to the SGS (forward scatter (F-scatter) on average, SGS energy is also transferred to the GS. The latter energy exchange (backward scatter (B-scatter) is very significant, i.e., the local energy exchange can be backward nearly as often as forward and the local rate of B-scatter is considerably higher than the net rate of energy dissipation.

Energy Harvesting Systems and Methods of Assembling Same

NASA Technical Reports Server (NTRS)

Cepeda-Rizo, Juan (Inventor); Ganapathi, Gani B. (Inventor)

2013-01-01

A method of assembling an energy harvesting system is provided. The method includes coupling at least one energy storage device in flow communication with at least one apparatus that is configured to generate thermal energy and to transfer the thermal energy into at least one fluid stream. The energy storage device is configured to store the fluid stream. Moreover, the method includes coupling at least one fluid transfer device downstream from the energy storage device. The fluid transfer device receives the fluid stream from the energy storage device. A bladeless turbine is coupled in flow communication with the fluid transfer device, wherein the bladeless turbine receives the fluid stream to generate power.

Energy transfer upon collision of selectively excited CO2 molecules: State-to-state cross sections and probabilities for modeling of atmospheres and gaseous flows.

PubMed

Lombardi, A; Faginas-Lago, N; Pacifici, L; Grossi, G

2015-07-21

Carbon dioxide molecules can store and release tens of kcal/mol upon collisions, and such an energy transfer strongly influences the energy disposal and the chemical processes in gases under the extreme conditions typical of plasmas and hypersonic flows. Moreover, the energy transfer involving CO2 characterizes the global dynamics of the Earth-atmosphere system and the energy balance of other planetary atmospheres. Contemporary developments in kinetic modeling of gaseous mixtures are connected to progress in the description of the energy transfer, and, in particular, the attempts to include non-equilibrium effects require to consider state-specific energy exchanges. A systematic study of the state-to-state vibrational energy transfer in CO2 + CO2 collisions is the focus of the present work, aided by a theoretical and computational tool based on quasiclassical trajectory simulations and an accurate full-dimension model of the intermolecular interactions. In this model, the accuracy of the description of the intermolecular forces (that determine the probability of energy transfer in molecular collisions) is enhanced by explicit account of the specific effects of the distortion of the CO2 structure due to vibrations. Results show that these effects are important for the energy transfer probabilities. Moreover, the role of rotational and vibrational degrees of freedom is found to be dominant in the energy exchange, while the average contribution of translations, under the temperature and energy conditions considered, is negligible. Remarkable is the fact that the intramolecular energy transfer only involves stretching and bending, unless one of the colliding molecules has an initial symmetric stretching quantum number greater than a threshold value estimated to be equal to 7.

Energy transfer and energy absorption in photon interactions with matter revisited: A step-by-step illustrated approach

NASA Astrophysics Data System (ADS)

Abdel-Rahman, W.; Podgorsak, E. B.

2010-05-01

A clear understanding of energy transfer and energy absorption in photon interactions with matter is essential for the understanding of radiation dosimetry and development of new dosimetry techniques. The concepts behind the two quantities have been enunciated many years ago and described in many scientific papers, review articles, and textbooks. Data dealing with energy transfer and energy absorption as well as the associated mass energy transfer coefficient and the mass energy absorption coefficient are readily available in web-based tabular forms. However, tables, even when available in detailed and easy to access form, do not lend themselves to serve as visual aid to promote better understanding of the dosimetric quantities related to energy transfer and energy absorption as well as their relationship to the photon energy and absorber atomic number. This paper uses graphs and illustrations, in addition to well-known mathematical relationships, to guide the reader in a systematic manner through the various stages involved in the derivation of energy absorbed in medium and its associated quantity, the mass energy absorption coefficient, from the mass attenuation coefficient.

Heat Transfer and Fluid Mechanics Institute, Meeting, 25th, University of California, Davis, Calif., June 21-23, 1976, Proceedings

NASA Technical Reports Server (NTRS)

Mckillop, A. A.; Baughn, J. W.; Dwyer, H. A.

1976-01-01

Major research advances in heat transfer and fluid dynamics are outlined, with particular reference to relevant energy problems. Of significant importance are such topics as synthetic fuels in combustion, turbulence models, combustion modeling, numerical methods for interacting boundary layers, and light-scattering diagnostics for gases. The discussion covers thermal convection, two-phase flow and boiling heat transfer, turbulent flows, combustion, and aerospace heat transfer problems. Other areas discussed include compressible flows, fluid mechanics and drag, and heat exchangers. Featured topics comprise heat and salt transfer in double-diffusive systems, limits of boiling heat transfer in a liquid-filled enclosure, investigation of buoyancy-induced flow stratification in a cylindrical plenum, and digital algorithms for dynamic analysis of a heat exchanger. Individual items are announced in this issue.

Characterization and cysteine sensing performance of nanocomposites based on up-conversion excitation host and rhodamine-derived probes

NASA Astrophysics Data System (ADS)

Yuqing, Zhao; Yi, Xing; Lihua, Li; Juanjuan, Ma

2018-02-01

Optical sensing for cysteine (Cys) recognition is an interesting topic due to Cys biological participation. In this paper, two rhodamine-based chemosensors were designed for Cys optical sensing. For chemosensor photostability improvement, up-conversion nanocrystals were synthesized and used as excitation host. These nanocrystals were modified with a phase transfer reagent α-cyclodextrin (α-CD) to improve their compatibility with chemosensors. An efficient energy transfer from these nanocrystals to chemosensors under 980 nm radiation was observed and confirmed by spectral match analysis, energy transfer radius calculation and emission decay lifetime comparison. A direct bonding mechanism between Cys and chemosensors with bonding stoichiometry of 1:1 was established by Job's plot experiment. Given the presence of Cys, chemosensor emission was increased, showing emission turn on effect. These two chemosensors showed good selectivity, improved photostability and linear sensing response towards Cys.

Triplet excited state spectra and dynamics of carotenoids from the thermophilic purple photosynthetic bacterium Thermochromatium tepidum

DOE Office of Scientific and Technical Information (OSTI.GOV)

Niedzwiedzki, Dariusz; Kobayashi, Masayuki; Blankenship, R. E.

Light-harvesting complex 2 from the anoxygenic phototrophic purple bacterium Thermochromatium tepidum was purified and studied by steady-state absorption, fluorescence and flash photolysis spectroscopy. Steady-state absorption and fluorescence measurements show that carotenoids play a negligible role as supportive energy donors and transfer excitation to bacteriochlorophyll-a with low energy transfer efficiency of ~30%. HPLC analysis determined that the dominant carotenoids in the complex are rhodopin and spirilloxanthin. Carotenoid excited triplet state formation upon direct (carotenoid) or indirect (bacteriochlorophyll-a Q{sub x} band) excitation shows that carotenoid triplets are mostly localized on spirilloxanthin. In addition, no triplet excitation transfer between carotenoids was observed. Suchmore » specific carotenoid composition and spectroscopic results strongly suggest that this organism optimized carotenoid composition in the light-harvesting complex 2 in order to maximize photoprotective capabilities of carotenoids but subsequently drastically suppressed their supporting role in light-harvesting process.« less

Organic Solar Cells beyond One Pair of Donor-Acceptor: Ternary Blends and More.

PubMed

Yang, Liqiang; Yan, Liang; You, Wei

2013-06-06

Ternary solar cells enjoy both an increased light absorption width, and an easy fabrication process associated with their simple structures. Significant progress has been made for such solar cells with demonstrated efficiencies over 7%; however, their fundamental working principles are still under investigation. This Perspective is intended to offer our insights on the three major governing mechanisms in these intriguing ternary solar cells: charge transfer, energy transfer, and parallel-linkage. Through careful analysis of exemplary cases, we summarize the advantages and limitations of these three major mechanisms and suggest future research directions. For example, incorporating additional singlet fission or upconversion materials into the energy transfer dominant ternary solar cells has the potential to break the theoretical efficiency limit in single junction organic solar cells. Clearly, a feedback loop between fundamental understanding and materials selection is in urgent need to accelerate the efficiency improvement of these ternary solar cells.

Analysis of linear energy transfers and quality factors of charged particles produced by spontaneous fission neutrons from 252Cf and 244Pu in the human body.

PubMed

Endo, Akira; Sato, Tatsuhiko

2013-04-01

Absorbed doses, linear energy transfers (LETs) and quality factors of secondary charged particles in organs and tissues, generated via the interactions of the spontaneous fission neutrons from (252)Cf and (244)Pu within the human body, were studied using the Particle and Heavy Ion Transport Code System (PHITS) coupled with the ICRP Reference Phantom. Both the absorbed doses and the quality factors in target organs generally decrease with increasing distance from the source organ. The analysis of LET distributions of secondary charged particles led to the identification of the relationship between LET spectra and target-source organ locations. A comparison between human body-averaged mean quality factors and fluence-averaged radiation weighting factors showed that the current numerical conventions for the radiation weighting factors of neutrons, updated in ICRP103, and the quality factors for internal exposure are valid.

Cellular organization and spectral diversity of GFP-like proteins in live coral cells studied by single and multiphoton imaging and microspectroscopy

NASA Astrophysics Data System (ADS)

Salih, Anya; Cox, Guy C.; Larkum, Anthony W.

2003-07-01

Tissues of many marine invertebrates of class Anthozoa contain intensely fluorescent or brightly coloured pigments. These pigments belong to a family of photoactive proteins closely related to Green Fluorescent Protein (GFP), and their emissions range from blue to red wavelengths. The great diversity of these pigments has only recently been realised. To investigate the role of these proteins in corals, we have performed an in vivo fluorescent pigment (FP) spectral and cellular distribution analyses in live coral cells using single and multi-photon laser scanning imaging and microspectroscopy. These analyses revealed that even single colour corals contain spectroscopically heterogeneous pigment mixtures, with 2-5 major colour types in the same area of tissue. They were typically arranged in step-wise light emission energy gradients (e.g. blue, green, yellow, red). The successive overlapping emission-excitation spectral profiles of differently coloured FPs suggested that they were suited for sequential energy coupling. Traces of red FPs (emission = 570-660 nm) were present, even in non-red corals. We confirmed that radiative energy transfer could occur between separate granules of blue and green FPs and that energy transfer was inversely proportional to the square of the distance between them. Multi-photon micro-spectrofluorometric analysis gave significantly improved spectral resolution by restricting FP excitation to a single point in the focal plane of the sample. Pigment heterogeneity at small scales within granules suggested that fluorescence resonance energy transfer (FRET) might be occurring, and we confirmed that this was the case. Thus, energy transfer can take place both radiatively and by FRET, probably functioning in photoprotection by dissipation of excessive solar radiation.

HEAP: Heat Energy Analysis Program, a computer model simulating solar receivers. [solving the heat transfer problem

NASA Technical Reports Server (NTRS)

Lansing, F. L.

1979-01-01

A computer program which can distinguish between different receiver designs, and predict transient performance under variable solar flux, or ambient temperatures, etc. has a basic structure that fits a general heat transfer problem, but with specific features that are custom-made for solar receivers. The code is written in MBASIC computer language. The methodology followed in solving the heat transfer problem is explained. A program flow chart, an explanation of input and output tables, and an example of the simulation of a cavity-type solar receiver are included.

Design of optimal impulse transfers from the Sun-Earth libration point to asteroid

NASA Astrophysics Data System (ADS)

Wang, Yamin; Qiao, Dong; Cui, Pingyuan

2015-07-01

The lunar probe, Chang'E-2, is the first one to successfully achieve both the transfer to Sun-Earth libration point orbit and the flyby of near-Earth asteroid Toutatis. This paper, taking the Chang'E-2's asteroid flyby mission as an example, provides a method to design low-energy transfers from the libration point orbit to an asteroid. The method includes the analysis of transfer families and the design of optimal impulse transfers. Firstly, the one-impulse transfers are constructed by correcting the initial guesses, which are obtained by perturbing in the direction of unstable eigenvector. Secondly, the optimality of one-impulse transfers is analyzed and the optimal impulse transfers are built by using the primer vector theory. After optimization, the transfer families, including the slow and the fast transfers, are refined to be continuous and lower-cost transfers. The method proposed in this paper can be also used for designing transfers from an arbitrary Sun-Earth libration point orbit to a near-Earth asteroid in the Sun-Earth-Moon system.

Energy harvesting from arterial blood pressure for powering embedded brain sensors

NASA Astrophysics Data System (ADS)

Nanda, Aditya; Karami, M. Amin

2016-04-01

This paper investigates energy harvesting from arterial blood pressure via the piezoelectric effect by using a novel streaked cylinder geometry for the purpose of powering embedded micro-sensors in the brain. Initially, we look at the energy harvested by a piezoelectric cylinder placed inside an artery acted upon by blood pressure. Such an arrangement would be tantamount to constructing a stent out of piezoelectric materials. A stent is a cylinder placed in veins and arteries to prevent obstruction in blood flow. The governing equations of a conductor coated piezoelectric cylinder are obtained using Hamilton's principle. Pressure acting in arteries is radially directed and this is used to simplify the modal analysis and obtain the transfer function relating pressure to the induced voltage across the surface of the harvester. The power harvested by the cylindrical harvester is obtained for different shunt resistances. Radially directed pressure occurs elsewhere and we also look at harvesting energy from oil flow in pipelines. Although the energy harvested by the cylindrical energy harvester is significant at resonance, the natural frequency of the system is found to be very high. To decrease the natural frequency, we propose a novel streaked stent design by cutting it along the length, transforming it to a curved plate and decreasing the natural frequency. The governing equations corresponding to the new geometry are derived using Hamilton's principle and modal analysis is used to obtain the transfer function.

Direct determination of resonance energy transfer in photolyase: structural alignment for the functional state.

PubMed

Tan, Chuang; Guo, Lijun; Ai, Yuejie; Li, Jiang; Wang, Lijuan; Sancar, Aziz; Luo, Yi; Zhong, Dongping

2014-11-13

Photoantenna is essential to energy transduction in photoinduced biological machinery. A photoenzyme, photolyase, has a light-harvesting pigment of methenyltetrahydrofolate (MTHF) that transfers its excitation energy to the catalytic flavin cofactor FADH¯ to enhance DNA-repair efficiency. Here we report our systematic characterization and direct determination of the ultrafast dynamics of resonance energy transfer from excited MTHF to three flavin redox states in E. coli photolyase by capturing the intermediates formed through the energy transfer and thus excluding the electron-transfer quenching pathway. We observed 170 ps for excitation energy transferring to the fully reduced hydroquinone FADH¯, 20 ps to the fully oxidized FAD, and 18 ps to the neutral semiquinone FADH(•), and the corresponding orientation factors (κ(2)) were determined to be 2.84, 1.53 and 1.26, respectively, perfectly matching with our calculated theoretical values. Thus, under physiological conditions and over the course of evolution, photolyase has adopted the optimized orientation of its photopigment to efficiently convert solar energy for repair of damaged DNA.

An MS-DOS-based program for analyzing plutonium gamma-ray spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ruhter, W.D.; Buckley, W.M.

1989-09-07

A plutonium gamma-ray analysis system that operates on MS-DOS-based computers has been developed for the International Atomic Energy Agency (IAEA) to perform in-field analysis of plutonium gamma-ray spectra for plutonium isotopics. The program titled IAEAPU consists of three separate applications: a data-transfer application for transferring spectral data from a CICERO multichannel analyzer to a binary data file, a data-analysis application to analyze plutonium gamma-ray spectra, for plutonium isotopic ratios and weight percents of total plutonium, and a data-quality assurance application to check spectral data for proper data-acquisition setup and performance. Volume 3 contains the software listings for these applications.

Base fluid in improving heat transfer for EV car battery

NASA Astrophysics Data System (ADS)

Bin-Abdun, Nazih A.; Razlan, Zuradzman M.; Shahriman, A. B.; Wan, Khairunizam; Hazry, D.; Ahmed, S. Faiz; Adnan, Nazrul H.; Heng, R.; Kamarudin, H.; Zunaidi, I.

2015-05-01

This study examined the effects of base fluid (as coolants) channeling inside the heat exchanger in the process of the increase in thermal conductivity between EV car battery and the heat exchanger. The analysis showed that secondary cooling system by means of water has advantages in improving the heat transfer process and reducing the electric power loss on the form of thermal energy from batteries. This leads to the increase in the efficiency of the EV car battery, hence also positively reflecting the performance of the EV car. The present work, analysis is performed to assess the design and use of heat exchanger in increasing the performance efficiency of the EV car battery. This provides a preface to the use this design for nano-fluids which increase and improve from heat transfer.

Binding analysis for interaction of diacetylcurcumin with β-casein nanoparticles by using fluorescence spectroscopy and molecular docking calculations

NASA Astrophysics Data System (ADS)

Mehranfar, Fahimeh; Bordbar, Abdol-Khalegh; Fani, Najme; Keyhanfar, Mehrnaz

2013-11-01

The interaction of diacetylcurcumin (DAC), as a novel synthetic derivative of curcumin, with bovine β-casein (an abundant milk protein that is highly amphiphilic and self assembles into stable micellar nanoparticles in aqueous solution) was investigated using fluorescence quenching experiments, Forster energy transfer measurements and molecular docking calculations. The fluorescence quenching measurements revealed the presence of a single binding site on β-casein for DAC with the binding constant value equals to (4.40 ± 0.03) × 104 M-1. Forster energy transfer measurements suggested that the distance between bound DAC and Trp143 residue is higher than the respective critical distance, hence, the static quenching is more likely responsible for fluorescence quenching other than the mechanism of non-radiative energy transfer. Our results from molecular docking calculations indicated that binding of DAC to β-casein predominantly occurred through hydrophobic contacts in the hydrophobic core of protein. Additionally, in vitro investigation of the cytotoxicity of free DAC and DAC-β-casein complex in human breast cancer cell line MCF7 revealed the higher cytotoxic effect of DAC-β-casein complex.

Theoretical analysis of the overtone-induced isomerization of methyl isocyanide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, J.A.; Chandler, D.W.

1986-10-15

A master-equation formalism is applied to the problem of overtone-induced isomerization of CH/sub 3/NC to CH/sub 3/CN. The results are compared to the experiments of Reddy and Berry, who measured the yield of isomerization as a function of pressure after excitation to the fourth and fifth overtones of the CH stretching mode. The master-equation model predicts the yield and the curvature in the yield/sup -1/ vs pressure plots observed in the experiments. For the lower overtone (50) the results are consistent with a simple strong-collider model. However, even under strong-collider conditions the yield is very sensitive to the parameters inmore » the master equation. For the upper overtone (60) the data do not fit a strong collider model and multistep deactivation dominates. We are able to determine from the data the average energy transferred in a collision by assuming a particular form for the energy-transfer function. In addition, the effect of changing the shape of the energy-transfer function is investigated.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ivanov, Sergei D., E-mail: sergei.ivanov@unirostock.de; Grant, Ian M.; Marx, Dominik

With the goal of computing quantum free energy landscapes of reactive (bio)chemical systems in multi-dimensional space, we combine the metadynamics technique for sampling potential energy surfaces with the ab initio path integral approach to treating nuclear quantum motion. This unified method is applied to the double proton transfer process in the formic acid dimer (FAD), in order to study the nuclear quantum effects at finite temperatures without imposing a one-dimensional reaction coordinate or reducing the dimensionality. Importantly, the ab initio path integral metadynamics technique allows one to treat the hydrogen bonds and concomitant proton transfers in FAD strictly independently andmore » thus provides direct access to the much discussed issue of whether the double proton transfer proceeds via a stepwise or concerted mechanism. The quantum free energy landscape we compute for this H-bonded molecular complex reveals that the two protons move in a concerted fashion from initial to product state, yet world-line analysis of the quantum correlations demonstrates that the protons are as quantum-uncorrelated at the transition state as they are when close to the equilibrium structure.« less

The dynamics underlying the regeneration and stalling of Hurricane Harvey

NASA Astrophysics Data System (ADS)

Liang, X. S.

2017-12-01

The explosive regeneration and stalling make the hurricane Harvey go from a little-noticed storm to an extremely destructive behemoth in late August 2017 that incurred an estimated economic loss at 70-200 billion USD. In this study, we use a recently developed analysis tool, namely, multiscale window transform (MWT), and the MWT-based theory of canonical transfer, to investigate the dynamics underlying this regeneration and stalling. The atmospheric fields are reconstructed onto three scale ranges or windows, namely, large-scale, tropical cyclone-scale, and cumulus convection-scale windows. The intertwined cyclone-scale nonlinear energy process is uniquely separated into a transport of energy within the cyclone window and an interscale transfer through reconstructing the "atomic" energy fluxes on the multiple scale windows. The resulting transfer bears a Lie bracket form, reminiscent of the Poisson bracket in Hamiltonian mechanics, and is hence referred to as canonical. It is found that within the Gulf of Mexico, Harvey gains much energy from the cumulus convection window through an inverse energy cascade, leading to its explosive growth. In the mean time, there is a barotropic instability (positive canonical transfer) center of the mean circulation in the lower and mid troposphere which lies quasi-steadily over Houston during August 22 through early September. The northwestward propagating Harvey meets that center and then stalls for two days near the coastline, dropping torrential and unprecedented amounts of rainfall and causing catastrophic flooding. It moves out of the instability center by the end of August, and then dissipates quickly in the following days.

Subwavelength dielectric nanorod chains for energy transfer in the visible range.

PubMed

Li, Dongdong; Zhang, Jingjing; Yan, Changchun; Xu, Zhengji; Zhang, Dao Hua

2017-10-15

We report a new type of energy transfer device, formed by a dielectric nanorod array embedded in a silver slab. Such dielectric chain structures allow surface plasmon wave guiding with large propagation length and highly suppressed crosstalk between adjacent transmission channels. The simulation results show that our proposed design can be used to enhance the energy transfer along the waveguide-like dielectric nanorod chains via coupled plasmons, where the energy spreading is effectively suppressed, and superior imaging properties in terms of resolution and energy transfer distance can be achieved.

Temperature measurements of micro-droplets using pulsed 2-color laser-induced fluorescence with MDR-enhanced energy transfer

NASA Astrophysics Data System (ADS)

Palmer, Johannes; Reddemann, Manuel A.; Kirsch, Valeri; Kneer, Reinhold

2016-12-01

In this work, a new measurement system is presented for studying temperature of micro-droplets by pulsed 2-color laser-induced fluorescence. Pulsed fluorescence excitation allows motion blur suppression and thus simultaneous measurements of droplet size, velocity and temperature. However, high excitation intensities of pulsed lasers lead to morphology-dependent resonances inside micro-droplets, which are accompanied by disruptive stimulated emission. Investigations showed that stimulated emission can be avoided by enhanced energy transfer via an additional dye. The suitability and accuracy of the new pulsed method are verified on the basis of a spectroscopic analysis and comparison to continuously excited 2-color laser-induced fluorescence.

Chemiluminescence studies between aqueous phase synthesized mercaptosuccinic acid capped cadmium telluride quantum dots and luminol-H2O2

NASA Astrophysics Data System (ADS)

Kaviyarasan, Kulandaivelu; Anandan, Sambandam; Mangalaraja, Ramalinga Viswanathan; Asiri, Abdullah M.; Wu, Jerry J.

2016-08-01

Mercaptosuccinic acid capped Cadmium telluride quantum dots have been successfully synthesized via aqueous phase method. The products were well characterized by a number of analytical techniques, including FT-IR, XRD, HRTEM, and a corrected particle size analysis by the statistical treatment of several AFM measurements. Chemiluminescence experiments were performed to explore the resonance energy transfer between chemiluminescence donor (luminol-H2O2 system) and acceptor CdTe QDs. The combination of such donor and acceptor dramatically reduce the fluorescence while compared to pristine CdTe QDs without any exciting light source, which is due to the occurrence of chemiluminescence resonance energy transfer (CRET) processes.

Thermal performance analysis of a thermocline thermal energy storage system with FLiNaK molten salt

NASA Astrophysics Data System (ADS)

Liu, C.; Cheng, M. S.; Zhao, B. C.; Dai, Z. M.

2017-01-01

A thermocline thermal storage unit with a heat transfer fluid (HTF) of high-temperature molten salt is considered as one of the most promising methods of thermal storage due to its lower cost and smaller size. The main objective of this work is to analyze the transient behavior of the available molten salt FLiNaK used as the HTF in heat transfer and heat storage in a thermocline thermal energy storage (TES) system. Thermal characteristics including temperature profiles influenced by different inlet velocities of HTF and different void fractions of porous heat storage medium are analyzed. The numerical investigation on the heat storage and heat transfer characteristics of FLiINaK has been carried out. A comparison between two different molten salts, FLiNaK and Hitec, has been explored in this paper with regards to their charging and discharging operations. The results indicate the system with FLiNaK has a greater energy storage capability, a shorter charging time and a higher output power. The numerical investigation reveals heat storage and heat transfer characteristics of the thermocline TES system with FLiNaK, and provide important references for molten salt selection of the TES system in the future.

A theoretical investigation of the influence of gold nanosphere size on the decay and energy transfer rates and efficiencies of quantum emitters.

PubMed

Marocico, Cristian A; Zhang, Xia; Bradley, A Louise

2016-01-14

We present in this contribution a comprehensive investigation of the effect of the size of gold nanospheres on the decay and energy transfer rates of quantum systems placed close to these nanospheres. These phenomena have been investigated before, theoretically and experimentally, but no comprehensive study of the influence of the nanoparticle size on important dependences of the decay and energy transfer rates, such as the dependence on the donor-acceptor spectral overlap and the relative positions of the donor, acceptor, and nanoparticle, exists. As such, different accounts of the energy transfer mechanism have been presented in the literature. We perform an investigation of the energy transfer mechanisms between emitters and gold nanospheres and between donor-acceptor pairs in the presence of the gold nanospheres using a Green's tensor formalism, experimentally verified in our lab. We find that the energy transfer rate to small nanospheres is greatly enhanced, leading to a strong quenching of the emission of the emitter. When the nanosphere size is increased, it acts as an antenna, increasing the emission of the emitter. We also investigate the emission wavelength and intrinsic quantum yield dependence of the energy transfer to the nanosphere. As evidenced from the literature, the energy transfer process between the quantum system and the nanosphere can have a complicated distance dependence, with a r(-6) regime, characteristic of the Förster energy transfer mechanism, but also exhibiting other distance dependences. In the case of a donor-acceptor pair of quantum systems in the presence of a gold nanosphere, when the donor couples strongly to the nanosphere, acting as an enhanced dipole; the donor-acceptor energy transfer rate then follows a Förster trend, with an increased Förster radius. The coupling of the acceptor to the nanosphere has a different distance dependence. The angular dependence of the energy transfer efficiency between donor and acceptor exhibits a strong focusing effect and the same enhanced donor-dipole character in different angular arrangements. The spectral overlap of the donor emission and acceptor absorption spectra shows that the energy transfer follows the near-field scattering efficiency, with a red-shift from the localized surface plasmon peak for small sphere sizes.

Phylogenetic analysis of proteins associated in the four major energy metabolism systems: photosynthesis, aerobic respiration, denitrification, and sulfur respiration.

PubMed

Tomiki, Takeshi; Saitou, Naruya

2004-08-01

The four electron transfer energy metabolism systems, photosynthesis, aerobic respiration, denitrification, and sulfur respiration, are thought to be evolutionarily related because of the similarity of electron transfer patterns and the existence of some homologous proteins. How these systems have evolved is elusive. We therefore conducted a comprehensive homology search using PSI-BLAST, and phylogenetic analyses were conducted for the three homologous groups (groups 1-3) based on multiple alignments of domains defined in the Pfam database. There are five electron transfer types important for catalytic reaction in group 1, and many proteins bind molybdenum. Deletions of two domains led to loss of the function of binding molybdenum and ferredoxin, and these deletions seem to be critical for the electron transfer pattern changes in group 1. Two types of electron transfer were found in group 2, and all its member proteins bind siroheme and ferredoxin. Insertion of the pyridine nucleotide disulfide oxidoreductase domain seemed to be the critical point for the electron transfer pattern change in this group. The proteins belonging to group 3 are all flavin enzymes, and they bind flavin adenine dinucleotide (FAD) or flavin mononucleotide (FMN). Types of electron transfer in this group are divergent, but there are two common characteristics. NAD(P)H works as an electron donor or acceptor, and FAD or FMN transfers electrons from/to NAD(P)H. Electron transfer functions might be added to these common characteristics by the addition of functional domains through the evolution of group 3 proteins. Based on the phylogenetic analyses in this study and previous studies, we inferred the phylogeny of the energy metabolism systems as follows: photosynthesis (and possibly aerobic respiration) and the sulfur/nitrogen assimilation system first diverged, then the sulfur/nitrogen dissimilation system was produced from the latter system.

Numerical and experimental design of coaxial shallow geothermal energy systems

NASA Astrophysics Data System (ADS)

Raghavan, Niranjan

Geothermal Energy has emerged as one of the front runners in the energy race because of its performance efficiency, abundance and production competitiveness. Today, geothermal energy is used in many regions of the world as a sustainable solution for decreasing dependence on fossil fuels and reducing health hazards. However, projects related to geothermal energy have not received their deserved recognition due to lack of computational tools associated with them and economic misconceptions related to their installation and functioning. This research focuses on numerical and experimental system design analysis of vertical shallow geothermal energy systems. The driving force is the temperature difference between a finite depth beneath the earth and its surface stimulates continuous exchange of thermal energy from sub-surface to the surface (a geothermal gradient is set up). This heat gradient is captured by the circulating refrigerant and thus, tapping the geothermal energy from shallow depths. Traditionally, U-bend systems, which consist of two one-inch pipes with a U-bend connector at the bottom, have been widely used in geothermal applications. Alternative systems include coaxial pipes (pipe-in-pipe) that are the main focus of this research. It has been studied that coaxial pipes have significantly higher thermal performance characteristics than U-bend pipes, with comparative production and installation costs. This makes them a viable design upgrade to the traditional piping systems. Analytical and numerical heat transfer analysis of the coaxial system is carried out with the help of ABAQUS software. It is tested by varying independent parameters such as materials, soil conditions and effect of thermal contact conductance on heat transfer characteristics. With the above information, this research aims at formulating a preliminary theoretical design setup for an experimental study to quantify and compare the heat transfer characteristics of U-bend and coaxial geothermal piping systems. Based on the simulations and experiments, the effect of parameters on the overall operating costs is studied. Finally, with the results obtained, the economics and return on investment behind coaxial geothermal energy systems are discussed. Government policies on renewable energy are explained, highlighting the energy incentives associated with geothermal energy in the United States. The findings of this research provides a platform for further shallow geothermal energy system studies with an immense potential to revolutionize the energy industry in the future.

Numerical Modeling of Conjugate Heat Transfer in Fluid Network

NASA Technical Reports Server (NTRS)

Majumdar, Alok

2004-01-01

Fluid network modeling with conjugate heat transfer has many applications in Aerospace engineering. In modeling unsteady flow with heat transfer, it is important to know the variation of wall temperature in time and space to calculate heat transfer between solid to fluid. Since wall temperature is a function of flow, a coupled analysis of temperature of solid and fluid is necessary. In cryogenic applications, modeling of conjugate heat transfer is of great importance to correctly predict boil-off rate in propellant tanks and chill down of transfer lines. In TFAWS 2003, the present author delivered a paper to describe a general-purpose computer program, GFSSP (Generalized Fluid System Simulation Program). GFSSP calculates flow distribution in complex flow circuit for compressible/incompressible, with or without heat transfer or phase change in all real fluids or mixtures. The flow circuit constitutes of fluid nodes and branches. The mass, energy and specie conservation equations are solved at the nodes where as momentum conservation equations are solved at the branches. The proposed paper describes the extension of GFSSP to model conjugate heat transfer. The network also includes solid nodes and conductors in addition to fluid nodes and branches. The energy conservation equations for solid nodes solves to determine the temperatures of the solid nodes simultaneously with all conservation equations governing fluid flow. The numerical scheme accounts for conduction, convection and radiation heat transfer. The paper will also describe the applications of the code to predict chill down of cryogenic transfer line and boil-off rate of cryogenic propellant storage tank.

Monthly Variations of Low-Energy Ballistic Transfers to Lunar Halo Orbits

NASA Technical Reports Server (NTRS)

Parker, Jeffrey S.

2010-01-01

The characteristics of low-energy transfers between the Earth and Moon vary from one month to the next largely due to the Earth's and Moon's non-circular, non-coplanar orbits in the solar system. This paper characterizes those monthly variations as it explores the trade space of low-energy lunar transfers across many months. Mission designers may use knowledge of these variations to swiftly design desirable low-energy lunar transfers in any given month.

Radiationless Electronic Excitation Energy Transfer Between Monolayers of J-Aggregates

NASA Astrophysics Data System (ADS)

Chmereva, T. M.; Kucherenko, M. G.

2018-06-01

Radiationless electronic excitation energy transfer between monolayers of cyanine dye molecules forming J-aggregates by means of surface plasmons of the metal film of nanometer thickness inserted between the monolayers is theoretically investigated. A dependence of the rate of energy transfer on the geometrical and electrodynamic parameters of the system is established. It is demonstrated that the energy transfer between the monolayers is more effective in the presence of the metal film than in a nonconductive medium.

Investigation of energy transfer in terbium doped Y 2SiO5 phosphor particles

NASA Astrophysics Data System (ADS)

Salis, M.; Carbonaro, C. M.; Corpino, R.; Anedda, A.; Ricci, P. C.

2012-07-01

The kinetics of luminescence of sol-gel synthesized terbium doped Y 2SiO5 (YSO) phosphor particles is investigated in detail with reference to Tb concentration in the 0.001%-10% range. By increasing the dopant concentration, the luminescence profile changes from a blue to a green peaked emission spectrum because of the energy transfer among centers. The inter-center energy transfer mechanism is well accounted for by the Inokuti-Hirayama (IH) kinetic model which is based on a statistical average of inter-center distance dependent decay modes of the donor luminescence. The distribution of the decay modes is implemented from the Förster-Dexter resonance theory of energy transfer by assuming a rate constant for the energy transfer by multipolar interactions between donors and acceptors. However, the experimental results recorded in the low concentration limit show the presence of green emission contributions in the luminescence spectrum which cannot be related to the Tb concentration; for this reason an additional internal energy transfer mechanism, occurring among levels of the same center, is proposed to account for the recorded emission properties. Thus, a new and more exhaustive model which includes both the internal and external energy transfer processes is considered; the proposed model allows a better explanation of the spectroscopic features of Tb related centers in YSO crystals and discloses the critical concentration and the quantum yields of the different energy transfer mechanisms.

Nearly Perfect Triplet-Triplet Energy Transfer from Wannier Excitons to Naphthalene in Organic-Inorganic Hybrid Quantum-Well Materials

NASA Astrophysics Data System (ADS)

Ema, K.; Inomata, M.; Kato, Y.; Kunugita, H.; Era, M.

2008-06-01

We report the observation of extremely efficient energy transfer (greater than 99%) in an organic-inorganic hybrid quantum-well structure consisting of perovskite-type lead bromide well layers and naphthalene-linked ammonium barrier layers. Time-resolved photoluminescence measurements confirm that the transfer is triplet-triplet Dexter-type energy transfer from Wannier excitons in the inorganic well to the triplet state of naphthalene molecules in the organic barrier. Using measurements in the 10 300 K temperature range, we also investigated the temperature dependence of the energy transfer.

Redshifted Cherenkov Radiation for in vivo Imaging: Coupling Cherenkov Radiation Energy Transfer to multiple Förster Resonance Energy Transfers

NASA Astrophysics Data System (ADS)

Bernhard, Yann; Collin, Bertrand; Decréau, Richard A.

2017-03-01

Cherenkov Radiation (CR), this blue glow seen in nuclear reactors, is an optical light originating from energetic β-emitter radionuclides. CR emitter 90Y triggers a cascade of energy transfers in the presence of a mixed population of fluorophores (which each other match their respective absorption and emission maxima): Cherenkov Radiation Energy Transfer (CRET) first, followed by multiple Förster Resonance Energy transfers (FRET): CRET ratios were calculated to give a rough estimate of the transfer efficiency. While CR is blue-weighted (300-500 nm), such cascades of Energy Transfers allowed to get a) fluorescence emission up to 710 nm, which is beyond the main CR window and within the near-infrared (NIR) window where biological tissues are most transparent, b) to amplify this emission and boost the radiance on that window: EMT6-tumor bearing mice injected with both a radionuclide and a mixture of fluorophores having a good spectral overlap, were shown to have nearly a two-fold radiance boost (measured on a NIR window centered on the emission wavelength of the last fluorophore in the Energy Transfer cascade) compared to a tumor injected with the radionuclide only. Some CR embarked light source could be converted into a near-infrared radiation, where biological tissues are most transparent.

Redshifted Cherenkov Radiation for in vivo Imaging: Coupling Cherenkov Radiation Energy Transfer to multiple Förster Resonance Energy Transfers.

PubMed

Bernhard, Yann; Collin, Bertrand; Decréau, Richard A

2017-03-24

Cherenkov Radiation (CR), this blue glow seen in nuclear reactors, is an optical light originating from energetic β-emitter radionuclides. CR emitter 90 Y triggers a cascade of energy transfers in the presence of a mixed population of fluorophores (which each other match their respective absorption and emission maxima): Cherenkov Radiation Energy Transfer (CRET) first, followed by multiple Förster Resonance Energy transfers (FRET): CRET ratios were calculated to give a rough estimate of the transfer efficiency. While CR is blue-weighted (300-500 nm), such cascades of Energy Transfers allowed to get a) fluorescence emission up to 710 nm, which is beyond the main CR window and within the near-infrared (NIR) window where biological tissues are most transparent, b) to amplify this emission and boost the radiance on that window: EMT6-tumor bearing mice injected with both a radionuclide and a mixture of fluorophores having a good spectral overlap, were shown to have nearly a two-fold radiance boost (measured on a NIR window centered on the emission wavelength of the last fluorophore in the Energy Transfer cascade) compared to a tumor injected with the radionuclide only. Some CR embarked light source could be converted into a near-infrared radiation, where biological tissues are most transparent.

Site energies and charge transfer rates near pentacene grain boundaries from first-principles calculations

NASA Astrophysics Data System (ADS)

Kobayashi, Hajime; Tokita, Yuichi

2015-03-01

Charge transfer rates near pentacene grain boundaries are derived by calculating the site energies and transfer integrals of 37 pentacene molecules using first-principles calculations. The site energies decrease considerably near the grain boundaries, and electron traps of up to 300 meV and hole barriers of up to 400 meV are generated. The charge transfer rates across the grain boundaries are found to be reduced by three to five orders of magnitude with a grain boundary gap of 4 Å because of the reduction in the transfer integrals. The electron traps and hole barriers also reduce the electron and hole transfer rates by factors of up to 10 and 50, respectively. It is essential to take the site energies into consideration to determine charge transport near the grain boundaries. We show that the complex site energy distributions near the grain boundaries can be represented by an equivalent site energy difference, which is a constant for any charge transfer pass. When equivalent site energy differences are obtained for various grain boundary structures by first-principles calculations, the effects of the grain boundaries on the charge transfer rates are introduced exactly into charge transport simulations, such as the kinetic Monte Carlo method.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marocico, Cristian A.; Zhang, Xia; Bradley, A. Louise, E-mail: bradlel@tcd.ie

We present in this contribution a comprehensive investigation of the effect of the size of gold nanospheres on the decay and energy transfer rates of quantum systems placed close to these nanospheres. These phenomena have been investigated before, theoretically and experimentally, but no comprehensive study of the influence of the nanoparticle size on important dependences of the decay and energy transfer rates, such as the dependence on the donor-acceptor spectral overlap and the relative positions of the donor, acceptor, and nanoparticle, exists. As such, different accounts of the energy transfer mechanism have been presented in the literature. We perform anmore » investigation of the energy transfer mechanisms between emitters and gold nanospheres and between donor-acceptor pairs in the presence of the gold nanospheres using a Green’s tensor formalism, experimentally verified in our lab. We find that the energy transfer rate to small nanospheres is greatly enhanced, leading to a strong quenching of the emission of the emitter. When the nanosphere size is increased, it acts as an antenna, increasing the emission of the emitter. We also investigate the emission wavelength and intrinsic quantum yield dependence of the energy transfer to the nanosphere. As evidenced from the literature, the energy transfer process between the quantum system and the nanosphere can have a complicated distance dependence, with a r{sup −6} regime, characteristic of the Förster energy transfer mechanism, but also exhibiting other distance dependences. In the case of a donor-acceptor pair of quantum systems in the presence of a gold nanosphere, when the donor couples strongly to the nanosphere, acting as an enhanced dipole; the donor-acceptor energy transfer rate then follows a Förster trend, with an increased Förster radius. The coupling of the acceptor to the nanosphere has a different distance dependence. The angular dependence of the energy transfer efficiency between donor and acceptor exhibits a strong focusing effect and the same enhanced donor-dipole character in different angular arrangements. The spectral overlap of the donor emission and acceptor absorption spectra shows that the energy transfer follows the near-field scattering efficiency, with a red-shift from the localized surface plasmon peak for small sphere sizes.« less

Chirality and energy transfer amplified circularly polarized luminescence in composite nanohelix

PubMed Central

Yang, Dong; Duan, Pengfei; Zhang, Li; Liu, Minghua

2017-01-01

Transfer of both chirality and energy information plays an important role in biological systems. Here we show a chiral donor π-gelator and assembled it with an achiral π-acceptor to see how chirality and energy can be transferred in a composite donor–acceptor system. It is found that the individual chiral gelator can self-assemble into nanohelix. In the presence of the achiral acceptor, the self-assembly can also proceed and lead to the formation of the composite nanohelix. In the composite nanohelix, an energy transfer is realized. Interestingly, in the composite nanohelix, the achiral acceptor can both capture the supramolecular chirality and collect the circularly polarized energy from the chiral donor, showing both supramolecular chirality and energy transfer amplified circularly polarized luminescence (ETACPL). PMID:28585538

Spectroscopic investigation on the energy transfer process in photosynthetic apparatus of cyanobacteria

NASA Astrophysics Data System (ADS)

Li, Ye; Wang, Bei; Ai, Xi-Cheng; Zhang, Xing-Kang; Zhao, Jing-Quan; Jiang, Li-Jin

2004-06-01

In this work, we employ cyanobacteria, Spirulina platensis, and separate their photosynthetic apparatus, phycobilisome (PBS), thylakoid membrane and phycobilisome-thylakoid membrane complex. The steady state absorption spectra, fluorescence spectra and corresponding deconvoluted spectra and picosecond time-resolved spectra are used to investigate the energy transfer process in phycobilisome-thylakoid membrane complex. The results on steady state spectra show chlorophylls of the photosystem II are able to transfer excitation energy to phycobilisome with Chl a molecules selectively excited. The decomposition of the steady state spectra further suggest the uphill energy transfer originate from chlorophylls of photosystem II to cores of phycobilisome, while rods and cores of phycobilisome cannot receive energy from the chlorophylls of photosystem I. The time constant for the back energy transfer process is 18 ps.

Chirality and energy transfer amplified circularly polarized luminescence in composite nanohelix

NASA Astrophysics Data System (ADS)

Yang, Dong; Duan, Pengfei; Zhang, Li; Liu, Minghua

2017-06-01

Transfer of both chirality and energy information plays an important role in biological systems. Here we show a chiral donor π-gelator and assembled it with an achiral π-acceptor to see how chirality and energy can be transferred in a composite donor-acceptor system. It is found that the individual chiral gelator can self-assemble into nanohelix. In the presence of the achiral acceptor, the self-assembly can also proceed and lead to the formation of the composite nanohelix. In the composite nanohelix, an energy transfer is realized. Interestingly, in the composite nanohelix, the achiral acceptor can both capture the supramolecular chirality and collect the circularly polarized energy from the chiral donor, showing both supramolecular chirality and energy transfer amplified circularly polarized luminescence (ETACPL).

Quantum transfer energy in the framework of time-dependent dipole-dipole interaction

NASA Astrophysics Data System (ADS)

El-Shishtawy, Reda M.; Haddon, Robert C.; Al-Heniti, Saleh H.; Raffah, Bahaaudin M.; Berrada, K.; Abdel-Khalek, S.; Al-Hadeethi, Yas F.

2018-03-01

In this work, we examine the process of the quantum transfer of energy considering time-dependent dipole-dipole interaction in a dimer system characterized by two-level atom systems. By taking into account the effect of the acceleration and speed of the atoms in the dimer coupling, we demonstrate that the improvement of the probability for a single-excitation transfer energy extremely benefits from the incorporation of atomic motion effectiveness and the energy detuning. We explore the relevance between the population and entanglement during the time-evolution and show that this kind of nonlocal correlation may be generated during the process of the transfer of energy. Our work may provide optimal conditions to implement realistic experimental scenario in the transfer of the quantum energy.

Energy gap law of electron transfer in nonpolar solvents.

PubMed

Tachiya, M; Seki, Kazuhiko

2007-09-27

We investigate the energy gap law of electron transfer in nonpolar solvents for charge separation and charge recombination reactions. In polar solvents, the reaction coordinate is given in terms of the electrostatic potentials from solvent permanent dipoles at solutes. In nonpolar solvents, the energy fluctuation due to solvent polarization is absent, but the energy of the ion pair state changes significantly with the distance between the ions as a result of the unscreened strong Coulomb potential. The electron transfer occurs when the final state energy coincides with the initial state energy. For charge separation reactions, the initial state is a neutral pair state, and its energy changes little with the distance between the reactants, whereas the final state is an ion pair state and its energy changes significantly with the mutual distance; for charge recombination reactions, vice versa. We show that the energy gap law of electron-transfer rates in nonpolar solvents significantly depends on the type of electron transfer.

Energy storage as heat-of-fusion in containerized salts. Report on energy storage boiler tank

NASA Astrophysics Data System (ADS)

Chubb, T. A.; Nemecek, J. J.; Simmons, D. E.

1980-06-01

This report is concerned with energy storage based on heat-of-fusion in containerized salt. The 'energy storage boiler tank' uses evaporation and condensation of a heat transfer fluid to provide heat transfer into and out of stacked cans of salt. The 'energy storage superheater tank' uses a network of alkali metal heat pipes to distribute heat throughout a building filled with salt cans. It uses a radiation to transfer energy to and from stacked cans of salt. The paper summarizes the rationale for energy storage in containerized salt, it discusses salt availability, salt processing, container requirements, can technology and heat transfer fluid degradation problems. These discussions lead to estimates of energy storage system costs. The Naval Research Laboratory is building a 2 MWht proof-of-concept energy storage boiler tank. Laboratory investigations studying the compatibility of the heat transfer fluid with the molten storage salt are described, along with measurements of temperature drops associated with the energy input process. An assessment of the current status of the energy storage boiler tank is presented.

Low light adaptation: energy transfer processes in different types of light harvesting complexes from Rhodopseudomonas palustris.

PubMed

Moulisová, Vladimíra; Luer, Larry; Hoseinkhani, Sajjad; Brotosudarmo, Tatas H P; Collins, Aaron M; Lanzani, Guglielmo; Blankenship, Robert E; Cogdell, Richard J

2009-12-02

Energy transfer processes in photosynthetic light harvesting 2 (LH2) complexes isolated from purple bacterium Rhodopseudomonas palustris grown at different light intensities were studied by ground state and transient absorption spectroscopy. The decomposition of ground state absorption spectra shows contributions from B800 and B850 bacteriochlorophyll (BChl) a rings, the latter component splitting into a low energy and a high energy band in samples grown under low light (LL) conditions. A spectral analysis reveals strong inhomogeneity of the B850 excitons in the LL samples that is well reproduced by an exponential-type distribution. Transient spectra show a bleach of both the low energy and high energy bands, together with the respective blue-shifted exciton-to-biexciton transitions. The different spectral evolutions were analyzed by a global fitting procedure. Energy transfer from B800 to B850 occurs in a mono-exponential process and the rate of this process is only slightly reduced in LL compared to high light samples. In LL samples, spectral relaxation of the B850 exciton follows strongly nonexponential kinetics that can be described by a reduction of the bleach of the high energy excitonic component and a red-shift of the low energetic one. We explain these spectral changes by picosecond exciton relaxation caused by a small coupling parameter of the excitonic splitting of the BChl a molecules to the surrounding bath. The splitting of exciton energy into two excitonic bands in LL complex is most probably caused by heterogenous composition of LH2 apoproteins that gives some of the BChls in the B850 ring B820-like site energies, and causes a disorder in LH2 structure.

Assessment of energy and economic performance of office building models: a case study

NASA Astrophysics Data System (ADS)

Song, X. Y.; Ye, C. T.; Li, H. S.; Wang, X. L.; Ma, W. B.

2016-08-01

Energy consumption of building accounts for more than 37.3% of total energy consumption while the proportion of energy-saving buildings is just 5% in China. In this paper, in order to save potential energy, an office building in Southern China was selected as a test example for energy consumption characteristics. The base building model was developed by TRNSYS software and validated against the recorded data from the field work in six days out of August-September in 2013. Sensitivity analysis was conducted for energy performance of building envelope retrofitting; five envelope parameters were analyzed for assessing the thermal responses. Results indicated that the key sensitivity factors were obtained for the heat-transfer coefficient of exterior walls (U-wall), infiltration rate and shading coefficient (SC), of which the sum sensitivity factor was about 89.32%. In addition, the results were evaluated in terms of energy and economic analysis. The analysis of sensitivity validated against some important results of previous studies. On the other hand, the cost-effective method improved the efficiency of investment management in building energy.

Vibronic coupling explains the ultrafast carotenoid-to-bacteriochlorophyll energy transfer in natural and artificial light harvesters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perlík, Václav; Seibt, Joachim; Šanda, František

The initial energy transfer steps in photosynthesis occur on ultrafast timescales. We analyze the carotenoid to bacteriochlorophyll energy transfer in LH2 Marichromatium purpuratum as well as in an artificial light-harvesting dyad system by using transient grating and two-dimensional electronic spectroscopy with 10 fs time resolution. We find that Förster-type models reproduce the experimentally observed 60 fs transfer times, but overestimate coupling constants, which lead to a disagreement with both linear absorption and electronic 2D-spectra. We show that a vibronic model, which treats carotenoid vibrations on both electronic ground and excited states as part of the system’s Hamiltonian, reproduces all measuredmore » quantities. Importantly, the vibronic model presented here can explain the fast energy transfer rates with only moderate coupling constants, which are in agreement with structure based calculations. Counterintuitively, the vibrational levels on the carotenoid electronic ground state play the central role in the excited state population transfer to bacteriochlorophyll; resonance between the donor-acceptor energy gap and the vibrational ground state energies is the physical basis of the ultrafast energy transfer rates in these systems.« less

Modular Electron Donor Group Tuning Of Frontier Energy Levels In Diarylaminofluorenone Push-Pull Molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Homnick, Paul J.; Lahti, P. M.

2012-01-01

Push–pull organic molecules composed of electron donor diarylamines at the 2- and 2,7-positions of fluorenone exhibit intramolecular charge-transfer behaviour in static absorption and emission spectra. Electrochemical and spectral data combined in a modular electronic analysis model show how the donor HOMO and acceptor LUMO act as major determinants of the frontier molecular orbital energy levels.

Charge-transfer mechanism for electrophilic aromatic nitration and nitrosation via the convergence of (ab initio) molecular-orbital and Marcus-Hush theories with experiments.

PubMed

Gwaltney, Steven R; Rosokha, Sergiy V; Head-Gordon, Martin; Kochi, Jay K

2003-03-19

The highly disparate rates of aromatic nitrosation and nitration, despite the very similar (electrophilic) properties of the active species: NO(+) and NO(2)(+) in Chart 1, are quantitatively reconciled. First, the thorough mappings of the potential-energy surfaces by high level (ab initio) molecular-orbital methodologies involving extensive coupled-cluster CCSD(T)/6-31G optimizations establish the intervention of two reactive intermediates in nitration (Figure 8) but only one in nitrosation (Figure 7). Second, the same distinctive topologies involving double and single potential-energy minima (Figures 6 and 5) also emerge from the semiquantitative application of the Marcus-Hush theory to the transient spectral data. Such a striking convergence from quite different theoretical approaches indicates that the molecular-orbital and Marcus-Hush (potential-energy) surfaces are conceptually interchangeable. In the resultant charge-transfer mechanism, the bimolecular interactions of arene donors with both NO(+) and NO(2)(+) spontaneously lead (barrierless) to pi-complexes in which electron transfer is concurrent with complexation. Such a pi-complex in nitration is rapidly converted to the sigma-complex, whereas this Wheland adduct in nitrosation merely represents a high energy (transition-state) structure. Marcus-Hush analysis thus demonstrates how the strongly differentiated (arene) reactivities toward NO(+) and NO(2)(+) can actually be exploited in the quantitative development of a single coherent (electron-transfer) mechanism for both aromatic nitrosation and nitration.

Modelling heat and mass transfer in a membrane-based air-to-air enthalpy exchanger

NASA Astrophysics Data System (ADS)

Dugaria, S.; Moro, L.; Del, D., Col

2015-11-01

The diffusion of total energy recovery systems could lead to a significant reduction in the energy demand for building air-conditioning. With these devices, sensible heat and humidity can be recovered in winter from the exhaust airstream, while, in summer, the incoming air stream can be cooled and dehumidified by transferring the excess heat and moisture to the exhaust air stream. Membrane based enthalpy exchangers are composed by different channels separated by semi-permeable membranes. The membrane allows moisture transfer under vapour pressure difference, or water concentration difference, between the two sides and, at the same time, it is ideally impermeable to air and other contaminants present in exhaust air. Heat transfer between the airstreams occurs through the membrane due to the temperature gradient. The aim of this work is to develop a detailed model of the coupled heat and mass transfer mechanisms through the membrane between the two airstreams. After a review of the most relevant models published in the scientific literature, the governing equations are presented and some simplifying assumptions are analysed and discussed. As a result, a steady-state, two-dimensional finite difference numerical model is setup. The developed model is able to predict temperature and humidity evolution inside the channels. Sensible and latent heat transfer rate, as well as moisture transfer rate, are determined. A sensitive analysis is conducted in order to determine the more influential parameters on the thermal and vapour transfer.

Phosphorescence and Energy Transfer in Rigid Solutions.

ERIC Educational Resources Information Center

Enciso, E.; Cabello, A.

1980-01-01

Describes an experiment which illustrates the general aspects of intermolecular energy transfer between triplet states in rigid solutions of organic compounds solved in an ethanol-ether mixture. Measurements of quenching and energy transfer processes are made using the chemicals of benzophenone and naphthalene. (CS)

Cooperative heat transfer and ground coupled storage system

DOEpatents

Metz, Philip D.

1982-01-01

A cooperative heat transfer and ground coupled storage system wherein collected solar heat energy is ground stored and permitted to radiate into the adjacent ground for storage therein over an extended period of time when such heat energy is seasonally maximally available. Thereafter, when said heat energy is seasonally minimally available and has propagated through the adjacent ground a substantial distance, the stored heat energy may be retrieved by a circumferentially arranged heat transfer means having a high rate of heat transfer.

Cooperative heat transfer and ground coupled storage system

DOEpatents

Metz, P.D.

A cooperative heat transfer and ground coupled storage system wherein collected solar heat energy is ground stored and permitted to radiate into the adjacent ground for storage therein over an extended period of time when such heat energy is seasonally maximally available. Thereafter, when said heat energy is seasonally minimally available and has propagated through the adjacent ground a substantial distance, the stored heat energy may be retrieved by a circumferentially arranged heat transfer means having a high rate of heat transfer.

10 CFR 32.20 - Same: Records and material transfer reports.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 1 2010-01-01 2010-01-01 false Same: Records and material transfer reports. 32.20 Section 32.20 Energy NUCLEAR REGULATORY COMMISSION SPECIFIC DOMESTIC LICENSES TO MANUFACTURE OR TRANSFER... material transfer reports. (a) Each person licensed under § 32.18 shall maintain records of transfer of...

10 CFR 32.20 - Same: Records and material transfer reports.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 1 2011-01-01 2011-01-01 false Same: Records and material transfer reports. 32.20 Section 32.20 Energy NUCLEAR REGULATORY COMMISSION SPECIFIC DOMESTIC LICENSES TO MANUFACTURE OR TRANSFER... material transfer reports. (a) Each person licensed under § 32.18 shall maintain records of transfer of...

10 CFR 32.12 - Same: Records and material transfer reports.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 1 2011-01-01 2011-01-01 false Same: Records and material transfer reports. 32.12 Section 32.12 Energy NUCLEAR REGULATORY COMMISSION SPECIFIC DOMESTIC LICENSES TO MANUFACTURE OR TRANSFER... material transfer reports. (a) Each person licensed under § 32.11 shall maintain records of transfer of...

77 FR 73654 - Eau Galle Renewable Energy Company, Eau Galle Hydro, LLC; Notice of Transfer of Exemption

Federal Register 2010, 2011, 2012, 2013, 2014

2012-12-11

... Renewable Energy Company, Eau Galle Hydro, LLC; Notice of Transfer of Exemption 1. By letter filed October 12, 2012, Eau Galle Renewable Energy Company informed the Commission that its exemption from... transferred to Eau Galle Renewable Energy Company by letter.\\2\\ The project is located on the Eau Galle River...

Charge transfer complex of some nervous and brain drugs - Part 1: Synthesis, spectroscopic, analytical and biological studies on the reaction between haloperidol antipsychotic drugs with π-acceptors

NASA Astrophysics Data System (ADS)

El-Habeeb, Abeer A.; Al-Saif, Foziah A.; Refat, Moamen S.

2013-02-01

Donor-acceptor interactions between the electron donor haloperidol (HPL) and π-acceptors like 7,7,8,8-tetracyanoquinodimethane (TCNQ) and picric acid (PA) have been studied spectrophotometrically in CH3OH solvent. The donor-acceptor (charge transfer complexes) were discussed in terms of formation constant (KCT), molar extinction coefficient (ɛCT), standard free energy (ΔGo), oscillator strength (ƒ), transition dipole moment (μ), resonance energy (RN) and ionization potential (ID). The stoichiometry of these complexes was found to be 1:1 M ratio and having the formulas [(HPL)(TCNQ)] and [(HPL)(PA)], respectively. The charge transfer interaction was successfully applied to determine of HPL drug using mentioned common π-acceptors also, the results obtained herein are satisfactory for estimation of HPL compound in the pharmaceutical form. The formed solid charge-transfer complexes were also isolated and characterized using elemental analysis, conductivity, (infrared, Raman, and 1H NMR) spectra and X-ray powder diffraction (XRD). The experimental data of elemental analyses are in agreement with calculated data. The infrared spectra of both HPL complexes are confirming the participation of sbnd OH of 4-hydroxy-1-piperidyl moiety in the donor-acceptor chelation. The morphological surface of the resulted charge transfer complexes were investigated using scanning electron microscopy (SEM). The thermogravimetric analysis (TG/DTG) and differential scanning calorimetry (DSC) techniques were performed to give knowledge about the thermal stability behavior of the synthesized charge transfer complexes. Thermodynamic parameters were computed from the thermal decomposition data. These complexes were also tested for their antimicrobial activity against six different microorganisms, and the results were compared with the parent drug.

A study of vibrational spectra and investigations of charge transfer and chemical bonding features of 2-chloro benzimidazole based on DFT computations

NASA Astrophysics Data System (ADS)

Muthunatesan, S.; Ragavendran, V.

2015-01-01

Benzimidazoles are bicyclic heteroatomic molecules. Polycyclic heteroatomic molecules have extensive coupling of different modes leading to strong coupling of force constants associated with the various chemical bonds of the molecules. To carry out a detailed vibrational spectroscopic analysis of such a bicyclic heteroatomic molecule, FT-IR and FT-Raman spectra of 2-chloro benzimidazole (CBZ) have been recorded in the condensed phase. Density Functional Theory calculations in the B3LYP/6-31G* level have been carried out to determine the optimized geometry and vibrational frequencies. In order to obtain a close agreement between theoretical and observed frequencies and hence to perform a reliable assignment, the theoretical DFT force field was transformed from Cartesian to local symmetry co-ordinates and then scaled empirically using SQM methodology. The SQM treatment resulted in a RMS deviation of 9.4 cm-1. For visual comparison, the observed and calculated spectra are presented on a common wavenumber scale. From the NBO analysis, the electron density (ED) charge transfers in the σ* and π* antibonding orbitals and second order delocalization energies E(2) confirms the occurrence of intramolecular charge transfer (ICT) within the molecule. The calculated Homo and Lumo energies show that charge transfer occurs within the molecule. The results obtained from the vibrational, NBO and HOMO-LUMO analyses have been properly tabulated.

Structural investigation, spectroscopic and energy level studies of Schiff base: 2-[(3‧-N-salicylidenephenyl)benzimidazole] using experimental and DFT methods

NASA Astrophysics Data System (ADS)

Suman, G. R.; Bubbly, S. G.; Gudennavar, S. B.; Muthu, S.; Roopashree, B.; Gayatri, V.; Nanje Gowda, N. M.

2017-07-01

The Schiff base 2-[(3‧-N-salicylidenephenyl)benzimidazole] (Spbzl) was characterized by FT-Raman, 1H NMR, 13C NMR and single crystal X-ray diffraction technique. Crystallographic studies reveal the presence of two water molecules in the asymmetry unit which aid the intermolecular hydrogen bonding with imidazole ring, and the trans-conformation of the azomethine bond. Theoretical computations conducted using density functional theory (DFT) analysis support the experimental facts. Energy levels estimated by DFT studies are in good agreement with the values obtained from cyclic voltammetry technique. Frontier molecular orbital analysis shows that charge transfer has taken place from donor to acceptor moiety, which is also supported by the high hyperpolarizability values in both gaseous and solution phases, indicating high charge transfer capability of the molecule. A comparative theoretical study of Spbzl with derivative 4-((3-(1H-benzimidazol-2-yl)phenylimino)methyl)-3-hydroxybenzoic acid (Pbzlb) having an added anchor group COOH substituted at para position in the acceptor ring has been made. The result shows the feasibility of charge transfer to the semiconductor surface in dye sensitized solar cell (DSSC) applications for Pbzlb.

Numerical analysis of heat and mass transfer for water recovery in an evaporative cooling tower

NASA Astrophysics Data System (ADS)

Lee, Hyunsub; Son, Gihun

2017-11-01

Numerical analysis is performed for water recovery in an evaporative cooling tower using a condensing heat exchanger, which consists of a humid air channel and an ambient dry air channel. The humid air including water vapor produced in an evaporative cooling tower is cooled by the ambient dry air so that the water vapor is condensed and recovered to the liquid water. The conservation equations of mass, momentum, energy and vapor concentration in each fluid region and the energy equation in a solid region are simultaneously solved with the heat and mass transfer boundary conditions coupled to the effect of condensation on the channel surface of humid air. The present computation demonstrates the condensed water film distribution on the humid air channel, which is caused by the vapor mass transfer between the humid air and the colder water film surface, which is coupled to the indirect heat exchange with the ambient air. Computations are carried out to predict water recovery rate in parallel, counter and cross-flow type heat exchangers. The effects of air flow rate and channel interval on the water recovery rate are quantified.

Structure and Electronic Spectra of Purine-Methyl Viologen Charge Transfer Complexes

PubMed Central

Jalilov, Almaz S.; Patwardhan, Sameer; Singh, Arunoday; Simeon, Tomekia; Sarjeant, Amy A.; Schatz, George C.; Lewis, Frederick D.

2014-01-01

The structure and properties of the electron donor-acceptor complexes formed between methyl viologen (MV) and purine nucleosides and nucleotides in water and the solid state have been investigated using a combination of experimental and theoretical methods. Solution studies were performed using UV-vis and 1H NMR spectroscopy. Theoretical calculations were performed within the framework of density functional theory (DFT). Energy decomposition analysis indicates that dispersion and induction (charge-transfer) interactions dominate the total binding energy, whereas electrostatic interactions are largely repulsive. The appearance of charge transfer bands in the absorption spectra of the complexes are well described by time-dependent (TD) DFT and are further explained in terms of the redox properties of purine monomers and solvation effects. Crystal structures are reported for complexes of methyl viologen with the purines 2′-deoxyguanosine 3′-monophosphate GMP (DAD′DAD′ type) and 7-deazaguanosine zG (DAD′ADAD′ type). Comparison of the structures determined in the solid state and by theoretical methods in solution provides valuable insights into the nature of charge-transfer interactions involving purine bases as electron donors. PMID:24294996

Transfer reactions induced by lithium ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ogloblin, A.A.

The review deals with nuclear reactions induced by /sup 6/Li and /sup 7/ Li io ns having energies between 10 and 30 MeV. Due to the cluster structure of / sup 6/Li (/sup 6/Li= alpha +d) and /sup 7/Li (/sup 7/Li= alpha +t) and the low bindi ng energy of these nuclei, one of the clustcr is directly transferred in (/ sup 6/Li, d), (/sup 7/Li, t) (/sup 6/Li alpha ) and (/sup 7/Li, alpha ) reactions, i.e., the alpha p article, the deuteron, or the triton is directly transferred. Particular attention is paid to the (/sup 6/Li, d) andmore » (/sup 7/Li, t) reactions, in which the cluster-transfe r mechanism (alpha-particle transfer) appear in ita purest fomn. These reactions can be used to study the alpha- particle or quartet states of light nuclei, which are difficult or impossible to excite in any other way. The present state of the theory of multinucleon transfcr reactions is considered and the application of the theory to thc analysis of reactions induced by lithium atoms is discussed. (auth)« less

First FAMU observation of muon transfer from μp atoms to higher-Z elements

NASA Astrophysics Data System (ADS)

Mocchiutti, E.; Bonvicini, V.; Carbone, R.; Danailov, M.; Furlanetto, E.; Gadedjisso-Tossou, K. S.; Guffanti, D.; Pizzolotto, C.; Rachevski, A.; Stoychev, L.; Vallazza, E.; Zampa, G.; Niemela, J.; Ishida, K.; Adamczak, A.; Baccolo, G.; Benocci, R.; Bertoni, R.; Bonesini, M.; Chignoli, F.; Clemenza, M.; Curioni, A.; Maggi, V.; Mazza, R.; Moretti, M.; Nastasi, M.; Previtali, E.; Bakalov, D.; Danev, P.; Stoilov, M.; Baldazzi, G.; Campana, G.; D'Antone, I.; Furini, M.; Fuschino, F.; Labanti, C.; Margotti, A.; Meneghini, S.; Morgante, G.; Rignanese, L. P.; Rossi, P. L.; Zuffa, M.; Cervi, T.; De Bari, A.; Menegolli, A.; De Vecchi, C.; Nardò, R.; Rossella, M.; Tomaselli, A.; Colace, L.; De Vincenzi, M.; Iaciofano, A.; Somma, F.; Tortora, L.; Ramponi, R.; Vacchi, A.

2018-02-01

The FAMU experiment aims to accurately measure the hyperfine splitting of the ground state of the muonic hydrogen atom. A measurement of the transfer rate of muons from hydrogen to heavier gases is necessary for this purpose. In June 2014, within a preliminary experiment, a pressurized gas-target was exposed to the pulsed low-energy muon beam at the RIKEN RAL muon facility (Rutherford Appleton Laboratory, U.K.). The main goal of the test was the characterization of both the noise induced by the pulsed beam and the X-ray detectors. The apparatus, to some extent rudimental, has served admirably to this task. Technical results have been published that prove the validity of the choices made and pave the way for the next steps. This paper presents the results of physical relevance of measurements of the muon transfer rate to carbon dioxide, oxygen, and argon from non-thermalized excited μp atoms. The analysis methodology and the approach to the systematics errors are useful for the subsequent study of the transfer rate as function of the kinetic energy of the μp currently under way.

Tune color of single-phase LiGd(MoO4)2-X(WO4)X: Sm3+, Tb3+ via adjusting the proportion of matrix and energy transfer to create white-light phosphor

NASA Astrophysics Data System (ADS)

Wu, Hongyue; Yang, Junfeng; Wang, Xiaoxue; Gan, Shucai; Li, Linlin

2018-03-01

A series of LiGd(MO4)2: Sm3+, Tb3+ (M = Mo, W) phosphors was prepared by a conventional solid state reaction method. Powder X-Ray diffraction (XRD) analysis reveals that the compounds are of the same structure type. Their luminescent properties have been studied. The optimal doping concentrations are 8% for Sm3+ and 18% for Tb3+ in the LiGd(MoO4)2 host. Sm3+ and Tb3+ have different sensitivity to the Mo/W ratio. For LiGd(MoO4)2-X(WO4)X: Sm3+ (X = 0, 0.4, 0.8, 1.2, 1.6, 2.0), the strongest emission intensity is 1.766 times than that of the weakest, while 171 times for LiGd(MoO4)2-X(WO4)X: Tb3+. The experimental results show that Mo/W ratio strong influences on the properties of LiGd(MoO4)2-X(WO4)X: Tb3+. With the increasing of WO42- groups concentration, the shape of characteristic excitation peaks of Tb3+ is almost the same and the excitation intensity gradually increase. Moreover, the energy transfer from Tb3+ to Sm3+ has been realized in the co-doped phosphors. The experimental analysis and theoretical calculations reveal that the quadrupole-quadrupole interaction is the dominant mechanism for the Tb3+→Sm3+ energy transfer. Therefore, luminous intensity can be adjusted by different sensitivities to matrix composition and energy transfer from Tb3+→Sm3+. By this tuning color method, white-light-emitting phosphor has been prepared. The excitation wavelength is 378 nm, and this indicates that the white-light-emitting phosphor could be pumped by near-UV light.

Theoretical studies of optics and charge transport in organic conducting oligomers and polymers: Rational design of improved transparent and conducting polymers

NASA Astrophysics Data System (ADS)

Hutchison, Geoffrey Rogers

Theoretical studies on a variety of oligo- and polyheterocycles elucidate their optical and charge transport properties, suggesting new, improved transparent conductive polymers. First-principles calculations provide accurate methodologies for predicting both optical band gaps of neutral and cationic oligomers and intrinsic charge transfer rates. Multidimensional analysis reveals important motifs in chemical tailorability of oligoheterocycle optical and charge transport properties. The results suggest new directions for design of novel materials. Using both finite oligomer and infinite polymer calculations, the optical band gaps in polyheterocycles follow a modified particle-in-a-box formalism, scaling approximately as 1/N (where N is the number of monomer units) in short chains, saturating for long chains. Calculations demonstrate that band structure changes upon heteroatom substitution, (e.g., from polythiophene to polypyrrole) derive from heteroatom electron affinity. Further investigation of chemical variability in substituted oligoheterocycles using multidimensional statistics reveals the interplay between heteroatom and substituent in correlations between structure and redox/optical properties of neutral and cationic species. A linear correlation between band gaps of neutral and cationic species upon oxidation of conjugated oligomers, shows redshifts of optical absorption for most species and blueshifts for small band gap species. Interstrand charge-transport studies focus on two contributors to hopping-style charge transfer rates: internal reorganization energy and the electronic coupling matrix element. Statistical analysis of chemical variability of reorganization energies in oligoheterocycles proves the importance of reorganization energy in determining intrinsic charge transfer rates (e.g., charge mobility in unsubstituted oligothiophenes). Computed bandwidths across several oligothiophene crystal packing motifs show similar electron and hole bandwidths, and show that well-known tilted and herringbone motifs in oligothiophenes are driven by electrostatic repulsion. Tilted stacks exhibit intrinsic charge-transfer rates smaller than cofacial stacks, but with lower packing energy. Given similar electron and hole bandwidths, a charge injection model explains substitution-modulated majority carrier changes in n- and p-type oligothiophene field-effect transistors.

Chemical Dynamics Simulations of Intermolecular Energy Transfer: Azulene + N2 Collisions.

PubMed

Kim, Hyunsik; Paul, Amit K; Pratihar, Subha; Hase, William L

2016-07-14

Chemical dynamics simulations were performed to investigate collisional energy transfer from highly vibrationally excited azulene (Az*) in a N2 bath. The intermolecular potential between Az and N2, used for the simulations, was determined from MP2/6-31+G* ab initio calculations. Az* is prepared with an 87.5 kcal/mol excitation energy by using quantum microcanonical sampling, including its 95.7 kcal/mol zero-point energy. The average energy of Az* versus time, obtained from the simulations, shows different rates of Az* deactivation depending on the N2 bath density. Using the N2 bath density and Lennard-Jones collision number, the average energy transfer per collision ⟨ΔEc⟩ was obtained for Az* as it is collisionally relaxed. By comparing ⟨ΔEc⟩ versus the bath density, the single collision limiting density was found for energy transfer. The resulting ⟨ΔEc⟩, for an 87.5 kcal/mol excitation energy, is 0.30 ± 0.01 and 0.32 ± 0.01 kcal/mol for harmonic and anharmonic Az potentials, respectively. For comparison, the experimental value is 0.57 ± 0.11 kcal/mol. During Az* relaxation there is no appreciable energy transfer to Az translation and rotation, and the energy transfer is to the N2 bath.

The Optimization Based Dynamic and Cyclic Working Strategies for Rechargeable Wireless Sensor Networks with Multiple Base Stations and Wireless Energy Transfer Devices

PubMed Central

Ding, Xu; Han, Jianghong; Shi, Lei

2015-01-01

In this paper, the optimal working schemes for wireless sensor networks with multiple base stations and wireless energy transfer devices are proposed. The wireless energy transfer devices also work as data gatherers while charging sensor nodes. The wireless sensor network is firstly divided into sub networks according to the concept of Voronoi diagram. Then, the entire energy replenishing procedure is split into the pre-normal and normal energy replenishing stages. With the objective of maximizing the sojourn time ratio of the wireless energy transfer device, a continuous time optimization problem for the normal energy replenishing cycle is formed according to constraints with which sensor nodes and wireless energy transfer devices should comply. Later on, the continuous time optimization problem is reshaped into a discrete multi-phased optimization problem, which yields the identical optimality. After linearizing it, we obtain a linear programming problem that can be solved efficiently. The working strategies of both sensor nodes and wireless energy transfer devices in the pre-normal replenishing stage are also discussed in this paper. The intensive simulations exhibit the dynamic and cyclic working schemes for the entire energy replenishing procedure. Additionally, a way of eliminating “bottleneck” sensor nodes is also developed in this paper. PMID:25785305

The optimization based dynamic and cyclic working strategies for rechargeable wireless sensor networks with multiple base stations and wireless energy transfer devices.

PubMed

Ding, Xu; Han, Jianghong; Shi, Lei

2015-03-16

In this paper, the optimal working schemes for wireless sensor networks with multiple base stations and wireless energy transfer devices are proposed. The wireless energy transfer devices also work as data gatherers while charging sensor nodes. The wireless sensor network is firstly divided into sub networks according to the concept of Voronoi diagram. Then, the entire energy replenishing procedure is split into the pre-normal and normal energy replenishing stages. With the objective of maximizing the sojourn time ratio of the wireless energy transfer device, a continuous time optimization problem for the normal energy replenishing cycle is formed according to constraints with which sensor nodes and wireless energy transfer devices should comply. Later on, the continuous time optimization problem is reshaped into a discrete multi-phased optimization problem, which yields the identical optimality. After linearizing it, we obtain a linear programming problem that can be solved efficiently. The working strategies of both sensor nodes and wireless energy transfer devices in the pre-normal replenishing stage are also discussed in this paper. The intensive simulations exhibit the dynamic and cyclic working schemes for the entire energy replenishing procedure. Additionally, a way of eliminating "bottleneck" sensor nodes is also developed in this paper.

TEMPEST: A computer code for three-dimensional analysis of transient fluid dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fort, J.A.

TEMPEST (Transient Energy Momentum and Pressure Equations Solutions in Three dimensions) is a powerful tool for solving engineering problems in nuclear energy, waste processing, chemical processing, and environmental restoration because it analyzes and illustrates 3-D time-dependent computational fluid dynamics and heat transfer analysis. It is a family of codes with two primary versions, a N- Version (available to public) and a T-Version (not currently available to public). This handout discusses its capabilities, applications, numerical algorithms, development status, and availability and assistance.

Pulse power applications of silicon diodes in EML capacitive pulsers

NASA Astrophysics Data System (ADS)

Dethlefsen, Rolf; McNab, Ian; Dobbie, Clyde; Bernhardt, Tom; Puterbaugh, Robert; Levine, Frank; Coradeschi, Tom; Rinaldi, Vito

1993-01-01

Crowbar diodes are used for increasing the energy transfer from capacitive pulse forming networks. They also prevent voltage reversal on the energy storage capacitors. 52 mm diameter diodes with a 5 kV reverse blocking voltage, rated 40 kA were successfully used for the 32 MJ SSG rail gun. An uprated diode with increased current capability and a 15 kV reverse blocking voltage has been developed. Transient thermal analysis has predicted the current ratings for different pulse length. Analysis verification is obtained from destructive testing.

Localized multi-scale energy and vorticity analysis. II. Finite-amplitude instability theory and validation

NASA Astrophysics Data System (ADS)

San Liang, X.; Robinson, Allan R.

2007-12-01

A novel localized finite-amplitude hydrodynamic stability analysis is established in a unified treatment for the study of real oceanic and atmospheric processes, which are in general highly nonlinear, and intermittent in space and time. We first re-state the classical definition using the multi-scale energy and vorticity analysis (MS-EVA) developed in Liang and Robinson [Liang, X.S., Robinson, A.R., 2005. Localized multiscale energy and vorticity analysis. I. Fundamentals. Dyn. Atmos. Oceans 38, 195-230], and then manipulate certain global operators to achieve the temporal and spatial localization. The key of the spatial localization is transfer-transport separation, which is made precise with the concept of perfect transfer, while relaxation of marginalization leads to the localization of time. In doing so the information of transfer lost in the averages is retrieved and an easy-to-use instability metric is obtained. The resulting metric is field-like (Eulerian), conceptually generalizing the classical formalism, a bulk notion over the whole system. In this framework, an instability has a structure, which is of particular use for open flow processes. We check the structure of baroclinic instability with the benchmark Eady model solution, and the Iceland-Faeroe Frontal (IFF) intrusion, a highly localized and nonlinear process occurring frequently in the region between Iceland and Faeroe Islands. A clear isolated baroclinic instability is identified around the intrusion, which is further found to be characterized by the transition from a spatially growing mode to a temporally growing mode. We also check the consistency of the MS-EVA dynamics with the barotropic Kuo model. An observation is that a local perturbation burst does not necessarily imply an instability: the perturbation energy could be transported from other processes occurring elsewhere. We find that our analysis yields a Kuo theorem-consistent mean-eddy interaction, which is not seen in a conventional Reynolds stress framework. Using the techniques of marginalization and localization, this work sets up an example for the generalization of certain geophysical fluid dynamics theories for more generic purposes.

Miscibility at the immiscible liquid/liquid interface: A molecular dynamics study of thermodynamics and mechanism

NASA Astrophysics Data System (ADS)

Karnes, John J.; Benjamin, Ilan

2018-01-01

Molecular dynamics simulations are used to study the dissolution of water into an adjacent, immiscible organic liquid phase. Equilibrium thermodynamic and structural properties are calculated during the transfer of water molecule(s) across the interface using umbrella sampling. The net free energy of transfer agrees reasonably well with experimental solubility values. We find that water molecules "prefer" to transfer into the adjacent phase one-at-a-time, without co-transfer of the hydration shell, as in the case of evaporation. To study the dynamics and mechanism of transfer of water to liquid nitrobenzene, we collected over 400 independent dissolution events. Analysis of these trajectories suggests that the transfer of water is facilitated by interfacial protrusions of the water phase into the organic phase, where one water molecule at the tip of the protrusion enters the organic phase by the breakup of a single hydrogen bond.

Simulation analysis on miniature wireless power transfer system

NASA Astrophysics Data System (ADS)

Liu, Tao; Wei, Zhiqiang; Yin, Bo; Chi, Haokun; Du, Panpan

2018-03-01

In recent years, the research on implantable medical devices has become a hot scientific topic, and the power supply of these devices are especially concerned. Generally, these devices are usually powered by disposable batteries. However, for some of the long-term human implant devices, such as pacemakers, once the battery has been exhausted after several years, the patient has to replace the battery by surgery, which increases the patient’s economic burden and pain. Wireless power transfer technology, using non-contact way for power transfer, can be a good solution to this problem. In this paper, a micro induction coil was designed, and the transfer efficiency in the air and human tissue model of two-layers were simulated by Ansoft HFSS. The results showed that the system could achieve the energy transfer in both cases, meanwhile, it indicated that the transfer efficiency was lower in a relative larger permittivity of transmission medium.

Pressure-strain-rate events in homogeneous turbulent shear flow

NASA Technical Reports Server (NTRS)

Brasseur, James G.; Lee, Moon J.

1988-01-01

A detailed study of the intercomponent energy transfer processes by the pressure-strain-rate in homogeneous turbulent shear flow is presented. Probability density functions (pdf's) and contour plots of the rapid and slow pressure-strain-rate show that the energy transfer processes are extremely peaky, with high-magnitude events dominating low-magnitude fluctuations, as reflected by very high flatness factors of the pressure-strain-rate. A concept of the energy transfer class was applied to investigate details of the direction as well as magnitude of the energy transfer processes. In incompressible flow, six disjoint energy transfer classes exist. Examination of contours in instantaneous fields, pdf's and weighted pdf's of the pressure-strain-rate indicates that in the low magnitude regions all six classes play an important role, but in the high magnitude regions four classes of transfer processes, dominate. The contribution to the average slow pressure-strain-rate from the high magnitude fluctuations is only 50 percent or less. The relative significance of high and low magnitude transfer events is discussed.

The fluorescence resonance energy transfer (FRET) gate: a time-resolved study.

PubMed

Xu, Qing-Hua; Wang, Shu; Korystov, Dmitry; Mikhailovsky, Alexander; Bazan, Guillermo C; Moses, Daniel; Heeger, Alan J

2005-01-18

The two-step energy-transfer process in a self-assembled complex comprising a cationic conjugated polymer (CCP) and a dsDNA is investigated by using pump-dump-emission spectroscopy and time-correlated single-photon counting; energy is transferred from the CCP to an ethidium bromide (EB) molecule intercalated into the dsDNA through a fluorescein molecule linked to one terminus of the DNA. Time-dependent anisotropy measurements indicate that the inefficient direct energy transfer from the CCP to the intercalated EB results from the near orthogonality of their transition moments. These measurements also show that the transition moment of the fluorescein spans a range of angular distributions and lies between that of the CCP and EB. Consequently, the fluorescein acts as a fluorescence resonance energy-transfer gate to relay the excitation energy from the CCP to the EB.

The fluorescence resonance energy transfer (FRET) gate: A time-resolved study

PubMed Central

Xu, Qing-Hua; Wang, Shu; Korystov, Dmitry; Mikhailovsky, Alexander; Bazan, Guillermo C.; Moses, Daniel; Heeger, Alan J.

2005-01-01

The two-step energy-transfer process in a self-assembled complex comprising a cationic conjugated polymer (CCP) and a dsDNA is investigated by using pump-dump-emission spectroscopy and time-correlated single-photon counting; energy is transferred from the CCP to an ethidium bromide (EB) molecule intercalated into the dsDNA through a fluorescein molecule linked to one terminus of the DNA. Time-dependent anisotropy measurements indicate that the inefficient direct energy transfer from the CCP to the intercalated EB results from the near orthogonality of their transition moments. These measurements also show that the transition moment of the fluorescein spans a range of angular distributions and lies between that of the CCP and EB. Consequently, the fluorescein acts as a fluorescence resonance energy-transfer gate to relay the excitation energy from the CCP to the EB. PMID:15642946

Distance dependence of the energy transfer rate from a single semiconductor nanostructure to graphene.

PubMed

Federspiel, François; Froehlicher, Guillaume; Nasilowski, Michel; Pedetti, Silvia; Mahmood, Ather; Doudin, Bernard; Park, Serin; Lee, Jeong-O; Halley, David; Dubertret, Benoît; Gilliot, Pierre; Berciaud, Stéphane

2015-02-11

The near-field Coulomb interaction between a nanoemitter and a graphene monolayer results in strong Förster-type resonant energy transfer and subsequent fluorescence quenching. Here, we investigate the distance dependence of the energy transfer rate from individual, (i) zero-dimensional CdSe/CdS nanocrystals and (ii) two-dimensional CdSe/CdS/ZnS nanoplatelets to a graphene monolayer. For increasing distances d, the energy transfer rate from individual nanocrystals to graphene decays as 1/d(4). In contrast, the distance dependence of the energy transfer rate from a two-dimensional nanoplatelet to graphene deviates from a simple power law but is well described by a theoretical model, which considers a thermal distribution of free excitons in a two-dimensional quantum well. Our results show that accurate distance measurements can be performed at the single particle level using graphene-based molecular rulers and that energy transfer allows probing dimensionality effects at the nanoscale.

Definition and determination of the triplet-triplet energy transfer reaction coordinate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zapata, Felipe; Marazzi, Marco; Castaño, Obis

2014-01-21

A definition of the triplet-triplet energy transfer reaction coordinate within the very weak electronic coupling limit is proposed, and a novel theoretical formalism is developed for its quantitative determination in terms of internal coordinates The present formalism permits (i) the separation of donor and acceptor contributions to the reaction coordinate, (ii) the identification of the intrinsic role of donor and acceptor in the triplet energy transfer process, and (iii) the quantification of the effect of every internal coordinate on the transfer process. This formalism is general and can be applied to classical as well as to nonvertical triplet energy transfermore » processes. The utility of the novel formalism is demonstrated here by its application to the paradigm of nonvertical triplet-triplet energy transfer involving cis-stilbene as acceptor molecule. In this way the effect of each internal molecular coordinate in promoting the transfer rate, from triplet donors in the low and high-energy limit, could be analyzed in detail.« less

When hydroquinone meets methoxy radical: Hydrogen abstraction reaction from the viewpoint of interacting quantum atoms.

PubMed

Petković, Milena; Nakarada, Đura; Etinski, Mihajlo

2018-05-25

Interacting Quantum Atoms methodology is used for a detailed analysis of hydrogen abstraction reaction from hydroquinone by methoxy radical. Two pathways are analyzed, which differ in the orientation of the reactants at the corresponding transition states. Although the discrepancy between the two barriers amounts to only 2 kJ/mol, which implies that the two pathways are of comparable probability, the extent of intra-atomic and inter-atomic energy changes differs considerably. We thus demonstrated that Interacting Quantum Atoms procedure can be applied to unravel distinct energy transfer routes in seemingly similar mechanisms. Identification of energy components with the greatest contribution to the variation of the overall energy (intra-atomic and inter-atomic terms that involve hydroquinone's oxygen and the carbon atom covalently bound to it, the transferring hydrogen and methoxy radical's oxygen), is performed using the Relative energy gradient method. Additionally, the Interacting Quantum Fragments approach shed light on the nature of dominant interactions among selected fragments: both Coulomb and exchange-correlation contributions are of comparable importance when considering interactions of the transferring hydrogen atom with all other atoms, whereas the exchange-correlation term dominates interaction between methoxy radical's methyl group and hydroquinone's aromatic ring. This study represents one of the first applications of Interacting Quantum Fragments approach on first order saddle points. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

The fine tuning of carotenoid-chlorophyll interactions in light-harvesting complexes: an important requisite to guarantee efficient photoprotection via triplet-triplet energy transfer in the complex balance of the energy transfer processes

NASA Astrophysics Data System (ADS)

Di Valentin, Marilena; Carbonera, Donatella

2017-08-01

Triplet-triplet energy transfer (TTET) from the chlorophyll to the carotenoid triplet state is the process exploited by photosynthetic systems to protect themselves from singlet oxygen formation under light-stress conditions. A deep comprehension of the molecular strategies adopted to guarantee TTET efficiency, while at the same time maintaining minimal energy loss and efficient light-harvesting capability, is still lacking. The paramagnetic nature of the triplet state makes electron paramagnetic resonance (EPR) the method of choice when investigating TTET. In this review, we focus on our extended comparative study of two photosynthetic antenna complexes, the Peridinin-chlorophyll a-protein of dinoflagellates and the light-harvesting complex II of higher plants, in order to point out important aspects of the molecular design adopted in the photoprotection strategy. We have demonstrated that a proper analysis of the EPR data allows one to identify the pigments involved in TTET and, consequently, gain an insight into the structure of the photoprotective sites. The structural information has been complemented by a detailed description of the electronic structure provided by hyperfine spectroscopy. All these elements represent the fundamental building blocks toward a deeper understanding of the requirements for efficient photoprotection, which is fundamental to guarantee the prolonged energy conversion action of photosynthesis.

Evidence for a cysteine-mediated mechanism of excitation energy regulation in a photosynthetic antenna complex

PubMed Central

Orf, Gregory S.; Saer, Rafael G.; Niedzwiedzki, Dariusz M.; Zhang, Hao; McIntosh, Chelsea L.; Schultz, Jason W.; Mirica, Liviu M.; Blankenship, Robert E.

2016-01-01

Light-harvesting antenna complexes not only aid in the capture of solar energy for photosynthesis, but regulate the quantity of transferred energy as well. Light-harvesting regulation is important for protecting reaction center complexes from overexcitation, generation of reactive oxygen species, and metabolic overload. Usually, this regulation is controlled by the association of light-harvesting antennas with accessory quenchers such as carotenoids. One antenna complex, the Fenna–Matthews–Olson (FMO) antenna protein from green sulfur bacteria, completely lacks carotenoids and other known accessory quenchers. Nonetheless, the FMO protein is able to quench energy transfer in aerobic conditions effectively, indicating a previously unidentified type of regulatory mechanism. Through de novo sequencing MS, chemical modification, and mutagenesis, we have pinpointed the source of the quenching action to cysteine residues (Cys49 and Cys353) situated near two low-energy bacteriochlorophylls in the FMO protein from Chlorobaculum tepidum. Removal of these cysteines (particularly removal of the completely conserved Cys353) through N-ethylmaleimide modification or mutagenesis to alanine abolishes the aerobic quenching effect. Electrochemical analysis and electron paramagnetic resonance spectra suggest that in aerobic conditions the cysteine thiols are converted to thiyl radicals which then are capable of quenching bacteriochlorophyll excited states through electron transfer photochemistry. This simple mechanism has implications for the design of bio-inspired light-harvesting antennas and the redesign of natural photosynthetic systems. PMID:27335466

Cyclic Nanostructures of Tungsten Oxide (WO3) n   (n = 2-6) as NO x Gas Sensor: A Theoretical Study.

PubMed

Izadyar, Mohammad; Jamsaz, Azam

2014-01-01

Today's WO3-based gas sensors have received a lot of attention, because of important role as a sensitive layer for detection of the small quantities of  NO x . In this research, a theoretical study has been done on the sensing properties of different cyclic nanoclusters of (WO3) n   (n = 2-6) for NO x   (x = 1,2) gases. Based on the calculated adsorption energies by B3LYP and X3LYP functionals, from the different orientations of  NO x molecule on the tungsten oxide clusters, O-N⋯W was preferred. Different sizes of the mentioned clusters have been analyzed and W2O6 cluster was chosen as the best candidate for NO x detection from the energy viewpoint. Using the concepts of the chemical hardness and electronic charge transfer, some correlations between the energy of adsorption and interaction energy have been established. These analyses confirmed that the adsorption energy will be boosted with charge transfer enhancement. However, the chemical hardness relationship is reversed. Finally, obtained results from the natural bond orbital and electronic density of states analysis confirmed the electronic charge transfer from the adsorbates to WO3 clusters and Fermi level shifting after adsorption, respectively. The last parameter confirms that the cyclic clusters of tungsten oxide can be used as NO x gas sensors.

Cyclic Nanostructures of Tungsten Oxide (WO3)n  (n = 2–6) as NOx Gas Sensor: A Theoretical Study

PubMed Central

Izadyar, Mohammad; Jamsaz, Azam

2014-01-01

Today's WO3-based gas sensors have received a lot of attention, because of important role as a sensitive layer for detection of the small quantities of  NOx. In this research, a theoretical study has been done on the sensing properties of different cyclic nanoclusters of (WO3)n  (n = 2–6) for NOx  (x = 1,2) gases. Based on the calculated adsorption energies by B3LYP and X3LYP functionals, from the different orientations of  NOx molecule on the tungsten oxide clusters, O–N⋯W was preferred. Different sizes of the mentioned clusters have been analyzed and W2O6 cluster was chosen as the best candidate for NOx detection from the energy viewpoint. Using the concepts of the chemical hardness and electronic charge transfer, some correlations between the energy of adsorption and interaction energy have been established. These analyses confirmed that the adsorption energy will be boosted with charge transfer enhancement. However, the chemical hardness relationship is reversed. Finally, obtained results from the natural bond orbital and electronic density of states analysis confirmed the electronic charge transfer from the adsorbates to WO3 clusters and Fermi level shifting after adsorption, respectively. The last parameter confirms that the cyclic clusters of tungsten oxide can be used as NOx gas sensors. PMID:25544841

Efficient Energy Transfer from Near-Infrared Emitting Gold Nanoparticles to Pendant Ytterbium(III).

PubMed

Crawford, Scott E; Andolina, Christopher M; Kaseman, Derrick C; Ryoo, Bo Hyung; Smith, Ashley M; Johnston, Kathryn A; Millstone, Jill E

2017-12-13

Here, we demonstrate efficient energy transfer from near-infrared-emitting ortho-mercaptobenzoic acid-capped gold nanoparticles (AuNPs) to pendant ytterbium(III) cations. These functional materials combine the high molar absorptivity (1.21 × 10 6 M -1 cm -1 ) and broad excitation features (throughout the UV and visible regions) of AuNPs with the narrow emissive properties of lanthanides. Interaction between the AuNP ligand shell and ytterbium is determined using both nuclear magnetic resonance and electron microscopy measurements. In order to identify the mechanism of this energy transfer process, the distance of the ytterbium(III) from the surface of the AuNPs is systematically modulated by changing the size of the ligand appended to the AuNP. By studying the energy transfer efficiency from the various AuNP conjugates to pendant ytterbium(III) cations, a Dexter-type energy transfer mechanism is suggested, which is an important consideration for applications ranging from catalysis to energy harvesting. Taken together, these experiments lay a foundation for the incorporation of emissive AuNPs in energy transfer systems.

Heat Transfer Analysis of an Optimized, Flexible Holder System for Freeze-Drying in Dual Chamber Cartridges Using Different State-of-the-Art PAT Tools.

PubMed

Korpus, Christoph; Pikal, Michael; Friess, Wolfgang

2016-11-01

The aim of this study was to determine the heat transfer characteristics of an optimized flexible holder device, using Tunable Diode Laser Absorption Spectroscopy, the Pressure Rise Test, and the gravimetric procedure. Two different controlled nucleation methods were tested, and an improved sublimation process, "preheated plate," was developed. Tunable Diode Laser Absorption Spectroscopy identified an initial sublimation burst phase. Accordingly, steady-state equations were adapted for the gravimetric procedure, to account for this initial non-steady-state period. The heat transfer coefficient, K DCC , describing the transfer from the holder to the DCC, was the only heat transfer coefficient showing a clear pressure dependence with values ranging from 3.81E-04 cal/(g·cm 2 ·K) at 40 mTorr to 7.38E-04 cal/(g·cm 2 ·K) at 200 mTorr. The heat transfer coefficient, K tot , reflecting the overall energy transfer via the holder, increased by around 24% from 40 to 200 mTorr. This resulted in a pressure-independent sublimation rate of around 42 ± 1.06 mg/h over the whole pressure range. Hence, this pressure-dependent increase in energy transfer completely compensated the decrease in driving force of sublimation. The "flexible holder" shows a substantially reduced impact of atypical radiation, improved drying homogeneity, and ultimately a better transferability of the freeze-drying cycle for process optimization. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Mechanism for the Excited-State Multiple Proton Transfer Process of Dihydroxyanthraquinone Chromophores.

PubMed

Zhou, Qiao; Du, Can; Yang, Li; Zhao, Meiyu; Dai, Yumei; Song, Peng

2017-06-22

The single and dual cooperated proton transfer dynamic process in the excited state of 1,5-dihydroxyanthraquinone (1,5-DHAQ) was theoretically investigated, taking solvent effects (ethanol) into account. The absorption and fluorescence spectra were simulated, and dual fluorescence exhibited, which is consistent with previous experiments. Analysis of the calculated IR and Raman vibration spectra reveals that the intramolecular hydrogen bonding interactions (O 20 -H 21 ···O 24 and O 22 -H 23 ···O 25 ) are strengthened following the excited proton transfer process. Finally, by constructing the potential energy surfaces of the ground state, first excited singlet state, and triplet state, the mechanism of the intramolecular proton transfer of 1,5-DHAQ can be revealed.

Joule heating and spin-transfer torque investigated on the atomic scale using a spin-polarized scanning tunneling microscope.

PubMed

Krause, S; Herzog, G; Schlenhoff, A; Sonntag, A; Wiesendanger, R

2011-10-28

The influence of a high spin-polarized tunnel current onto the switching behavior of a superparamagnetic nanoisland on a nonmagnetic substrate is investigated by means of spin-polarized scanning tunneling microscopy. A detailed lifetime analysis allows for a quantification of the effective temperature rise of the nanoisland and the modification of the activation energy barrier for magnetization reversal, thereby using the nanoisland as a local thermometer and spin-transfer torque analyzer. Both the Joule heating and spin-transfer torque are found to scale linearly with the tunnel current. The results are compared to experiments performed on lithographically fabricated magneto-tunnel junctions, revealing a very high spin-transfer torque switching efficiency in our experiments.

Molecular-wire behavior of OLED materials: exciton dynamics in multichromophoric Alq3-oligofluorene-Pt(II)porphyrin triads.

PubMed

Montes, Victor A; Pérez-Bolívar, César; Agarwal, Neeraj; Shinar, Joseph; Anzenbacher, Pavel

2006-09-27

Donor-bridge-acceptor triads consisting of the Alq3 complex, oligofluorene bridge, and PtII tetraphenylporphyrin (PtTPP) were synthesized. The triads were designed to study the energy level/distance-dependence in energy transfer both in a solution and in solid state. The materials show effective singlet transfer from the Alq3-fluorene fluorophore to the porphyrin, while the triplet energy transfer, owing to the shorter delocalization of triplet excitons, appears to take place via a triplet energy cascade. Using femtosecond transient spectroscopy, the rate of the singlet-singlet energy transfer was determined. The exponential dependence of the donor-acceptor distance and the respective energy transfer rates of 7.1 x 1010 to 1.0 x 109 s-1 with the attenuation factor â of 0.21 +/- 0.02 A-1 suggest that the energy transfer proceeds via a mixed incohererent wire/superexchange mechanism. In the OLEDs fabricated using the Alq3-oligofluorene-PtTPP triads with better triplet level alignment, the order of a magnitude increase in efficacy appears to be due to facile triplet energy transfer. The devices, where the triplet-triplet energy transfer is of paramount importance, showed high color purity emission (CIE X,Y: 0.706, 0.277), which is almost identical to the emission from thin films. Most importantly, we believe that the design principles demonstrated above are general and may be used to prepare OLED materials with enhanced quantum efficacy at lowered operational potentials, being crucial for improved lifespan of OLEDs.

Vectorial photoinduced energy transfer between boron-dipyrromethene (Bodipy) chromophores across a fluorene bridge.

PubMed

Puntoriero, Fausto; Nastasi, Francesco; Campagna, Sebastiano; Bura, Thomas; Ziessel, Raymond

2010-08-02

A series of novel multichromophoric, luminescent compounds has been prepared, and their absorption spectra, luminescence properties (both at 77 K in rigid matrix and at 298 K in fluid solution), and photoinduced intercomponent energy-transfer processes have been studied. The series contains two new multichromophoric systems 1 and 2, each one containing two different boron-dipyrromethene (Bodipy) subunits and one bridging fluorene species, and two fluorene-Bodipy bichromophoric species, 6 and 7. Three monochromophoric compounds, 3, 4, and 5, used as precursors in the synthetic process, were also fully characterized. The absorption spectra of the multichromophoric compounds are roughly the summation of the absorption spectra of their individual components, thus demonstrating the supramolecular nature of the assemblies. Luminescence studies show that quantitative energy transfer occurs in 6 and 7 from the fluorene chromophore to the Bodipy dyes. Luminescence studies, complemented by transient-absorption spectroscopy studies, also indicate that efficient inter-Bodipy energy transfer across the rigid fluorene spacer takes place in 1 and 2, with rate constants, evaluated by several experimental methods, between 2.0 and 7.0 x 10(9) s(-1). Such an inter-Bodipy energy transfer appears to be governed by the Förster mechanism. By taking advantage of the presence of various protonable sites in the substituents of the lower-energy Bodipy subunit of 1 and 2, the effect of protonation on the energy-transfer rates has also been investigated. The results suggest that control of energy-transfer rate and efficiency of inter-Bodipy energy transfer in this type of systems can be achieved by an external, reversible input.

Exergy Based Analysis for the Environmental Control and Life Support Systems of the International Space Station

NASA Technical Reports Server (NTRS)

Clem, Kirk A.; Nelson, George J.; Mesmer, Bryan L.; Watson, Michael D.; Perry, Jay L.

2016-01-01

When optimizing the performance of complex systems, a logical area for concern is improving the efficiency of useful energy. The energy available for a system to perform work is defined as a system's energy content. Interactions between a system's subsystems and the surrounding environment can be accounted for by understanding various subsystem energy efficiencies. Energy balance of reactants and products, and enthalpies and entropies, can be used to represent a chemical process. Heat transfer energy represents heat loads, and flow energy represents system flows and filters. These elements allow for a system level energy balance. The energy balance equations are developed for the subsystems of the Environmental Control and Life Support (ECLS) system aboard the International Space Station (ISS). The use of these equations with system information would allow for the calculation of the energy efficiency of the system, enabling comparisons of the ISS ECLS system to other systems as well as allows for an integrated systems analysis for system optimization.

Redshifted Cherenkov Radiation for in vivo Imaging: Coupling Cherenkov Radiation Energy Transfer to multiple Förster Resonance Energy Transfers

PubMed Central

Bernhard, Yann; Collin, Bertrand; Decréau, Richard A.

2017-01-01

Cherenkov Radiation (CR), this blue glow seen in nuclear reactors, is an optical light originating from energetic β-emitter radionuclides. CR emitter 90Y triggers a cascade of energy transfers in the presence of a mixed population of fluorophores (which each other match their respective absorption and emission maxima): Cherenkov Radiation Energy Transfer (CRET) first, followed by multiple Förster Resonance Energy transfers (FRET): CRET ratios were calculated to give a rough estimate of the transfer efficiency. While CR is blue-weighted (300–500 nm), such cascades of Energy Transfers allowed to get a) fluorescence emission up to 710 nm, which is beyond the main CR window and within the near-infrared (NIR) window where biological tissues are most transparent, b) to amplify this emission and boost the radiance on that window: EMT6-tumor bearing mice injected with both a radionuclide and a mixture of fluorophores having a good spectral overlap, were shown to have nearly a two-fold radiance boost (measured on a NIR window centered on the emission wavelength of the last fluorophore in the Energy Transfer cascade) compared to a tumor injected with the radionuclide only. Some CR embarked light source could be converted into a near-infrared radiation, where biological tissues are most transparent. PMID:28338043

10 CFR 40.51 - Transfer of source or byproduct material.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 1 2011-01-01 2011-01-01 false Transfer of source or byproduct material. 40.51 Section 40.51 Energy NUCLEAR REGULATORY COMMISSION DOMESTIC LICENSING OF SOURCE MATERIAL Transfer of Source Material § 40.51 Transfer of source or byproduct material. (a) No licensee shall transfer source or...

Experimental investigation of a packed bed thermal energy storage system

NASA Astrophysics Data System (ADS)

Cascetta, Mario; Cau, Giorgio; Puddu, Pierpaolo; Serra, Fabio

2015-11-01

In this work experimental investigations on a thermal energy storage system with a solid material as storage media and air as heat transfer fluid will be presented. The experimental test rig, installed at the DIMCM of the University of Cagliari, consists of a carbon steel tank filled with freely poured alumina beads that allows investigations of heat transfer phenomena in packed beds. The aim of this work is to show the influence of the operating conditions and physical parameters on thermocline formation and, in particular, the thermal behaviour of the thermal energy storage for repeated charging and discharging cycles. Better charging efficiency is obtained for lower values of mass flow rate and maximum air temperature and for increasing aspect ratio. A decreasing influence of the metal wall with continuous operation is also highlighted. In conclusion, the analysis focuses on the thermal hysteresis phenomenon, which causes degradation of the thermocline and the reduction of the energy that can be stored by the accumulator as the repeated number of cycles increases.

A near-wall turbulence model and its application to fully developed turbulent channel and pipe flows

NASA Technical Reports Server (NTRS)

Kim, S.-W.

1988-01-01

A near wall turbulence model and its incorporation into a multiple-time-scale turbulence model are presented. In the method, the conservation of mass, momentum, and the turbulent kinetic energy equations are integrated up to the wall; and the energy transfer rate and the dissipation rate inside the near wall layer are obtained from algebraic equations. The algebraic equations for the energy transfer rate and the dissipation rate inside the near wall layer were obtained from a k-equation turbulence model and the near wall analysis. A fully developed turbulent channel flow and fully developed turbulent pipe flows were solved using a finite element method to test the predictive capability of the turbulence model. The computational results compared favorably with experimental data. It is also shown that the present turbulence model could resolve the over shoot phenomena of the turbulent kinetic energy and the dissipation rate in the region very close to the wall.

Investigation of potential waste material insulating properties at different temperature for thermal storage application

NASA Astrophysics Data System (ADS)

Ali, T. Z. S.; Rosli, A. B.; Gan, L. M.; Billy, A. S.; Farid, Z.

2013-12-01

Thermal energy storage system (TES) is developed to extend the operation of power generation. TES system is a key component in a solar energy power generation plant, but the main issue in designing the TES system is its thermal capacity of storage materials, e.g. insulator. This study is focusing on the potential waste material acts as an insulator for thermal energy storage applications. As the insulator is used to absorb heat, it is needed to find suitable material for energy conversion and at the same time reduce the waste generation. Thus, a small-scale experimental testing of natural cooling process of an insulated tank within a confined room is conducted. The experiment is repeated by changing the insulator from the potential waste material and also by changing the heat transfer fluid (HTF). The analysis presented the relationship between heat loss and the reserved period by the insulator. The results show the percentage of period of the insulated tank withstands compared to tank insulated by foam, e.g. newspaper reserved the period of 84.6% as much as foam insulated tank to withstand the heat transfer of cooking oil to the surrounding. The paper finally justifies the most potential waste material as an insulator for different temperature range of heat transfer fluid.

A molecular Debye-Hückel approach to the reorganization energy of electron transfer reactions in an electric cell

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xiao, Tiejun; Department of Chemistry, Iowa State University, Ames, Iowa 50011; Song, Xueyu

2014-10-07

Electron transfer near an electrode immersed in ionic fluids is studied using the linear response approximation, namely, mean value of the vertical energy gap can be used to evaluate the reorganization energy, and hence any linear response model that can treat Coulomb interactions successfully can be used for the reorganization energy calculation. Specifically, a molecular Debye-Hückel theory is used to calculate the reorganization energy of electron transfer reactions in an electric cell. Applications to electron transfer near an electrode in molten salts show that the reorganization energies from our molecular Debye-Hückel theory agree well with the results from MD simulations.

Spatially Mapping Energy Transfer from Single Plasmonic Particles to Semiconductor Substrates via STEM/EELS.

PubMed

Li, Guoliang; Cherqui, Charles; Bigelow, Nicholas W; Duscher, Gerd; Straney, Patrick J; Millstone, Jill E; Masiello, David J; Camden, Jon P

2015-05-13

Energy transfer from plasmonic nanoparticles to semiconductors can expand the available spectrum of solar energy-harvesting devices. Here, we spatially and spectrally resolve the interaction between single Ag nanocubes with insulating and semiconducting substrates using electron energy-loss spectroscopy, electrodynamics simulations, and extended plasmon hybridization theory. Our results illustrate a new way to characterize plasmon-semiconductor energy transfer at the nanoscale and bear impact upon the design of next-generation solar energy-harvesting devices.

10 CFR 712.18 - Transferring HRP certification.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Transferring HRP certification. 712.18 Section 712.18 Energy DEPARTMENT OF ENERGY HUMAN RELIABILITY PROGRAM Establishment of and Procedures for the Human Reliability Program Procedures § 712.18 Transferring HRP certification. (a) For HRP certification to be...

Does Harcus-Hush theory really work The solvent dependence of intervalence charge-transfer energetics in (NH[sub 3])[sub 5]Ru[sup II]-4,4'-bipyridine-Ru[sup III](NH[sub 3] )[sub 5][sup 5+] in the limit of infinite dilution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hupp, J.T.; Dong, Y.; Blackbourn, R.L.

1993-04-01

Because of concern about ion-pairing artifacts, the solvent dependence of the intervalence charge-transfer absorption energy for a prototypical mixed-valence system, (NH[sub 3])[sub 5]Ru[sup III]-4,4'-bipyridine-Ru[sup II](NH[sub 3])[sub 5][sup 5+], has been reexamined in the limit of infinite dilution. New data are reported for 14 solvents. While one of these (hexamethylphosphoramide) yields anomalous energetics, the absorption energies for the remaining 13 solvents agree qualitatively with the predictions of the Marcus-Hush theory (i.e., two-sphere dielectric continuum theory). On a quantitative basis, however, there is substantial disagreement with theory, at least when the charge-transfer distance is equated with the metal-to-metal separation distance (as conventionallymore » done). Replacement of this distance with a much shorter distance inferred from by electronic Stark-effect spectroscopy leads to a 3-fold decrease in the magnitude of calculated solvent reorganizational contributions to the overall intervalence energy (and therefore, very good agreement with experiment). Unfortunately, the use of such a short charge-transfer distance (d = 5.1 [+-] 0.7 A) also leads to a violation of one of the boundary conditions for use of the two-sphere model. Reformulation of the problem in terms of a generalized dipole-inversion, dielectric cavity problem, however, leads to nearly perfect agreement between theory and experiment. Additional analysis shows that experiment now also agrees reasonably well with theory regarding the magnitude of solvent-independent energy contributions. Finally, it is noted that downward revision in the estimated charge-transfer distance (from 11.3 to 5.1 A) leads to a substantial upward revision in the experimental (i.e., oscillator-strength based) estimate of the electronic coupling element, H[sub if], for intervalence transfer. 33 refs., 3 figs., 2 tabs.« less

Intramolecular energy transfer and the driving mechanisms for large-amplitude collective motions of clusters

NASA Astrophysics Data System (ADS)

Yanao, Tomohiro; Koon, Wang Sang; Marsden, Jerrold E.

2009-04-01

This paper uncovers novel and specific dynamical mechanisms that initiate large-amplitude collective motions in polyatomic molecules. These mechanisms are understood in terms of intramolecular energy transfer between modes and driving forces. Structural transition dynamics of a six-atom cluster between a symmetric and an elongated isomer is highlighted as an illustrative example of what is a general message. First, we introduce a general method of hyperspherical mode analysis to analyze the energy transfer among internal modes of polyatomic molecules. In this method, the (3n-6) internal modes of an n-atom molecule are classified generally into three coarse level gyration-radius modes, three fine level twisting modes, and (3n-12) fine level shearing modes. We show that a large amount of kinetic energy flows into the gyration-radius modes when the cluster undergoes structural transitions by changing its mass distribution. Based on this fact, we construct a reactive mode as a linear combination of the three gyration-radius modes. It is shown that before the reactive mode acquires a large amount of kinetic energy, activation or inactivation of the twisting modes, depending on the geometry of the isomer, plays crucial roles for the onset of a structural transition. Specifically, in a symmetric isomer with a spherical mass distribution, activation of specific twisting modes drives the structural transition into an elongated isomer by inducing a strong internal centrifugal force, which has the effect of elongating the mass distribution of the system. On the other hand, in an elongated isomer, inactivation of specific twisting modes initiates the structural transition into a symmetric isomer with lower potential energy by suppressing the elongation effect of the internal centrifugal force and making the effects of the potential force dominant. This driving mechanism for reactions as well as the present method of hyperspherical mode analysis should be widely applicable to molecular reactions in which a system changes its overall mass distribution in a significant way.

Wavelet-based multiscale window transform and energy and vorticity analysis

NASA Astrophysics Data System (ADS)

Liang, Xiang San

A new methodology, Multiscale Energy and Vorticity Analysis (MS-EVA), is developed to investigate sub-mesoscale, meso-scale, and large-scale dynamical interactions in geophysical fluid flows which are intermittent in space and time. The development begins with the construction of a wavelet-based functional analysis tool, the multiscale window transform (MWT), which is local, orthonormal, self-similar, and windowed on scale. The MWT is first built over the real line then modified onto a finite domain. Properties are explored, the most important one being the property of marginalization which brings together a quadratic quantity in physical space with its phase space representation. Based on MWT the MS-EVA is developed. Energy and enstrophy equations for the large-, meso-, and sub-meso-scale windows are derived and their terms interpreted. The processes thus represented are classified into four categories: transport; transfer, conversion, and dissipation/diffusion. The separation of transport from transfer is made possible with the introduction of the concept of perfect transfer. By the property of marginalization, the classical energetic analysis proves to be a particular case of the MS-EVA. The MS-EVA developed is validated with classical instability problems. The validation is carried out through two steps. First, it is established that the barotropic and baroclinic instabilities are indicated by the spatial averages of certain transfer term interaction analyses. Then calculations of these indicators are made with an Eady model and a Kuo model. The results agree precisely with what is expected from their analytical solutions, and the energetics reproduced reveal a consistent and important aspect of the unknown dynamic structures of instability processes. As an application, the MS-EVA is used to investigate the Iceland-Faeroe frontal (IFF) variability. A MS-EVA-ready dataset is first generated, through a forecasting study with the Harvard Ocean Prediction System using the data gathered during the 1993 NRV Alliance cruise. The application starts with a determination of the scale window bounds, which characterize a double-peak structure in either the time wavelet spectrum or the space wavelet spectrum. The resulting energetics, when locally averaged, reveal that there is a clear baroclinic instability happening around the cold tongue intrusion observed in the forecast. Moreover, an interaction analysis shows that the energy released by the instability indeed goes to the meso-scale window and fuel the growth of the intrusion. The sensitivity study shows that, in this case, the key to a successful application is a correct decomposition of the large-scale window from the meso-scale window.

Fluorescence resonance energy transfer sensors for quantitative monitoring of pentose and disaccharide accumulation in bacteria

PubMed Central

Kaper, Thijs; Lager, Ida; Looger, Loren L; Chermak, Diane; Frommer, Wolf B

2008-01-01

Background Engineering microorganisms to improve metabolite flux requires detailed knowledge of the concentrations and flux rates of metabolites and metabolic intermediates in vivo. Fluorescence resonance energy transfer sensors represent a promising technology for measuring metabolite levels and corresponding rate changes in live cells. These sensors have been applied successfully in mammalian and plant cells but potentially could also be used to monitor steady-state levels of metabolites in microorganisms using fluorimetric assays. Sensors for hexose and pentose carbohydrates could help in the development of fermentative microorganisms, for example, for biofuels applications. Arabinose is one of the carbohydrates to be monitored during biofuels production from lignocellulose, while maltose is an important degradation product of starch that is relevant for starch-derived biofuels production. Results An Escherichia coli expression vector compatible with phage λ recombination technology was constructed to facilitate sensor construction and was used to generate a novel fluorescence resonance energy transfer sensor for arabinose. In parallel, a strategy for improving the sensor signal was applied to construct an improved maltose sensor. Both sensors were expressed in the cytosol of E. coli and sugar accumulation was monitored using a simple fluorimetric assay of E. coli cultures in microtiter plates. In the case of both nanosensors, the addition of the respective ligand led to concentration-dependent fluorescence resonance energy transfer responses allowing quantitative analysis of the intracellular sugar levels at given extracellular supply levels as well as accumulation rates. Conclusion The nanosensor destination vector combined with the optimization strategy for sensor responses should help to accelerate the development of metabolite sensors. The new carbohydrate fluorescence resonance energy transfer sensors can be used for in vivo monitoring of sugar levels in prokaryotes, demonstrating the potential of such sensors as reporter tools in the development of metabolically engineered microbial strains or for real-time monitoring of intracellular metabolite during fermentation. PMID:18522753

Energy flow analysis of amputee walking shows a proximally-directed transfer of energy in intact limbs, compared to a distally-directed transfer in prosthetic limbs at push-off.

PubMed

Weinert-Aplin, R A; Howard, D; Twiste, M; Jarvis, H L; Bennett, A N; Baker, R J

2017-01-01

Reduced capacity and increased metabolic cost of walking occurs in amputees, despite advances in prosthetic componentry. Joint powers can quantify deficiencies in prosthetic gait, but do not reveal how energy is exchanged between limb segments. This study aimed to quantify these energy exchanges during amputee walking. Optical motion and forceplate data collected during walking at a self-selected speed for cohorts of 10 controls, 10 unilateral trans-tibial, 10 unilateral trans-femoral and 10 bilateral trans-femoral amputees were used to determine the energy exchanges between lower limb segments. At push-off, consistent thigh and shank segment powers were observed between amputee groups (1.12W/kg vs. 1.05W/kg for intact limbs and 0.97W/kg vs. 0.99W/kg for prosthetic limbs), and reduced prosthetic ankle power, particularly in trans-femoral amputees (3.12W/kg vs. 0.87W/kg). Proximally-directed energy exchange was observed in the intact limbs of amputees and controls, while prosthetic limbs displayed distally-directed energy exchanges at the knee and hip. This study used energy flow analysis to show a reversal in the direction in which energy is exchanged between prosthetic limb segments at push-off. This reversal was required to provide sufficient energy to propel the limb segments and is likely a direct result of the lack of push-off power at the prosthetic ankle, particularly in trans-femoral amputees, and leads to their increased metabolic cost of walking. Copyright © 2016 IPEM. Published by Elsevier Ltd. All rights reserved.

Construction of a coarse-grain quasi-classical trajectory method. II. Comparison against the direct molecular simulation method

NASA Astrophysics Data System (ADS)

Macdonald, R. L.; Grover, M. S.; Schwartzentruber, T. E.; Panesi, M.

2018-02-01

This work presents the analysis of non-equilibrium energy transfer and dissociation of nitrogen molecules (N2(g+1Σ) ) using two different approaches: the direct molecular simulation (DMS) method and the coarse-grain quasi-classical trajectory (CG-QCT) method. The two methods are used to study thermochemical relaxation in a zero-dimensional isochoric and isothermal reactor in which the nitrogen molecules are heated to several thousand degrees Kelvin, forcing the system into strong non-equilibrium. The analysis considers thermochemical relaxation for temperatures ranging from 10 000 to 25 000 K. Both methods make use of the same potential energy surface for the N2(g+1Σ ) -N2(g+1Σ ) system taken from the NASA Ames quantum chemistry database. Within the CG-QCT method, the rovibrational energy levels of the electronic ground state of the nitrogen molecule are lumped into a reduced number of bins. Two different grouping strategies are used: the more conventional vibrational-based grouping, widely used in the literature, and energy-based grouping. The analysis of both the internal state populations and concentration profiles show excellent agreement between the energy-based grouping and the DMS solutions. During the energy transfer process, discrepancies arise between the energy-based grouping and DMS solution due to the increased importance of mode separation for low energy states. By contrast, the vibrational grouping, traditionally considered state-of-the-art, captures well the behavior of the energy relaxation but fails to consistently predict the dissociation process. The deficiency of the vibrational grouping model is due to the assumption of strict mode separation and equilibrium of rotational energy states. These assumptions result in errors predicting the energy contribution to dissociation from the rotational and vibrational modes, with rotational energy actually contributing 30%-40% of the energy required to dissociate a molecule. This work confirms the findings discussed in Paper I [R. L. Macdonald et al., J. Chem. Phys. 148, 054309 (2018)], which underlines the importance of rotational energy to the dissociation process, and demonstrates that an accurate non-equilibrium chemistry model must accurately predict the deviation of rovibrational distribution from equilibrium.

Construction of a coarse-grain quasi-classical trajectory method. II. Comparison against the direct molecular simulation method.

PubMed

Macdonald, R L; Grover, M S; Schwartzentruber, T E; Panesi, M

2018-02-07

This work presents the analysis of non-equilibrium energy transfer and dissociation of nitrogen molecules (N 2 (Σg+1)) using two different approaches: the direct molecular simulation (DMS) method and the coarse-grain quasi-classical trajectory (CG-QCT) method. The two methods are used to study thermochemical relaxation in a zero-dimensional isochoric and isothermal reactor in which the nitrogen molecules are heated to several thousand degrees Kelvin, forcing the system into strong non-equilibrium. The analysis considers thermochemical relaxation for temperatures ranging from 10 000 to 25 000 K. Both methods make use of the same potential energy surface for the N 2 (Σg+1)-N 2 (Σg+1) system taken from the NASA Ames quantum chemistry database. Within the CG-QCT method, the rovibrational energy levels of the electronic ground state of the nitrogen molecule are lumped into a reduced number of bins. Two different grouping strategies are used: the more conventional vibrational-based grouping, widely used in the literature, and energy-based grouping. The analysis of both the internal state populations and concentration profiles show excellent agreement between the energy-based grouping and the DMS solutions. During the energy transfer process, discrepancies arise between the energy-based grouping and DMS solution due to the increased importance of mode separation for low energy states. By contrast, the vibrational grouping, traditionally considered state-of-the-art, captures well the behavior of the energy relaxation but fails to consistently predict the dissociation process. The deficiency of the vibrational grouping model is due to the assumption of strict mode separation and equilibrium of rotational energy states. These assumptions result in errors predicting the energy contribution to dissociation from the rotational and vibrational modes, with rotational energy actually contributing 30%-40% of the energy required to dissociate a molecule. This work confirms the findings discussed in Paper I [R. L. Macdonald et al., J. Chem. Phys. 148, 054309 (2018)], which underlines the importance of rotational energy to the dissociation process, and demonstrates that an accurate non-equilibrium chemistry model must accurately predict the deviation of rovibrational distribution from equilibrium.

Study of the effect of distance and misalignment between magnetically coupled coils for wireless power transfer in intraocular pressure measurement.

PubMed

Rendon-Nava, Adrian E; Díaz-Méndez, J Alejandro; Nino-de-Rivera, Luis; Calleja-Arriaga, Wilfrido; Gil-Carrasco, Felix; Díaz-Alonso, Daniela

2014-01-01

An analysis of the effect of distance and alignment between two magnetically coupled coils for wireless power transfer in intraocular pressure measurement is presented. For measurement purposes, a system was fabricated consisting of an external device, which is a Maxwell-Wien bridge circuit variation, in charge of transferring energy to a biomedical implant and reading data from it. The biomedical implant is an RLC tank circuit, encapsulated by a polyimide coating. Power transfer was done by magnetic induction coupling method, by placing one of the inductors of the Maxwell-Wien bridge circuit and the inductor of the implant in close proximity. The Maxwell-Wien bridge circuit was biased with a 10 MHz sinusoidal signal. The analysis presented in this paper proves that wireless transmission of power for intraocular pressure measurement is feasible with the measurement system proposed. In order to have a proper inductive coupling link, special care must be taken when placing the two coils in proximity to avoid misalignment between them.

Heat transfer in condensing and evaporating two-component, two-phase flow inside a horizontal tube

NASA Astrophysics Data System (ADS)

Duval, W. M. B.

The effect of adding a small amount of oil to condensing and evaporation refrigerant R-12 following inside a horizontal tube is investigated both experimentally and analytically. Analytically, the problem is addressed assuming annular flow inside the tube. The analysis is based on the momentum and energy equations with the heat transfer in the liquid film determined using the Reynolds analogy between turbulent heat and momentum transfer. Two separate methods are developed for extending this model to include the effects of the two-component nature of the flow. Experimentally, two-phase local heat transfer measurements and flow pattern visualization are made for both condensation and evaporation. From the measurements, correlations are developed to predict two-phase heat transfer for the range of 0%, 2% and 5% oil fraction by mass flow.

A Survey of Ballistic Transfers to the Lunar Surface

NASA Technical Reports Server (NTRS)

Anderson, Rodney L.; Parker, Jeffrey S.

2011-01-01

In this study techniques are developed which allow an analysis of a range of different types of transfer trajectories from the Earth to the lunar surface. Trajectories ranging from those obtained using the invariant manifolds of unstable orbits to those derived from collision orbits are analyzed. These techniques allow the computation of trajectories encompassing low-energy trajectories as well as more direct transfers. The range of possible trajectory options is summarized, and a broad range of trajectories that exist as a result of the Sun's influence are computed and analyzed. The results are then classified by type, and trades between different measures of cost are discussed.

Numerical simulation of water evaporation inside vertical circular tubes

NASA Astrophysics Data System (ADS)

Ocłoń, Paweł; Nowak, Marzena; Majewski, Karol

2013-10-01

In this paper the results of simplified numerical analysis of water evaporation in vertical circular tubes are presented. The heat transfer in fluid domain (water or wet steam) and solid domain (tube wall) is analyzed. For the fluid domain the temperature field is calculated solving energy equation using the Control Volume Method and for the solid domain using the Finite Element Method. The heat transfer between fluid and solid domains is conjugated using the value of heat transfer coefficient from evaporating liquid to the tube wall. It is determined using the analytical Steiner-Taborek correlation. The pressure changes in fluid are computed using Friedel model.

10 CFR 1042.120 - Transfers of property.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 4 2012-01-01 2012-01-01 false Transfers of property. 1042.120 Section 1042.120 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) NONDISCRIMINATION ON THE BASIS OF SEX IN EDUCATION PROGRAMS OR... recipient sells or otherwise transfers property financed in whole or in part with Federal financial...

10 CFR 1042.120 - Transfers of property.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 4 2011-01-01 2011-01-01 false Transfers of property. 1042.120 Section 1042.120 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) NONDISCRIMINATION ON THE BASIS OF SEX IN EDUCATION PROGRAMS OR... recipient sells or otherwise transfers property financed in whole or in part with Federal financial...

10 CFR 611.110 - Assignment or transfer of loans.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Assignment or transfer of loans. 611.110 Section 611.110 Energy DEPARTMENT OF ENERGY (CONTINUED) ASSISTANCE REGULATIONS ADVANCED TECHNOLOGY VEHICLES MANUFACTURER ASSISTANCE PROGRAM Direct Loan Program § 611.110 Assignment or transfer of loans. (a) The Loan Documents may...

Mechanisms of energy conversion and transfer in bioluminescence. Progress report, August 15, 1976--November 14, 1977. [Renilla (anthozoa)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cormier, M.J.

1977-01-01

Progress is reported on the following studies: isolation of luciferase and green fluorescent protein (GFP) from Renilla; chemical properties and chemical reactions of luciferase and GFP; and analogy of energy transfer in bioluminescence to energy transfer in photosynthesis. (HLW)

In Vivo 18-FDG/18-Choline-Mediated Cerenkov Radiation Energy Transfer (CRET) Multiplexed Optical Imaging for Human Prostate Carcinoma Detection and Staging

DTIC Science & Technology

2017-12-01

AWARD NUMBER: W81XWH-13-1-0138 TITLE: In Vivo 18-FDG/18-Choline-Mediated Cerenkov Radiation Energy Transfer (CRET) Multiplexed Optical...18Ffluorocholine/ 18F-FDG Cerenkov radiation energy transfer (CRET) coupled with TF- and ErbB2/3- molecularly targeted nearinfrared (NIR) QDs can be used to detect...to examine whether internal illumination via 18F-fluorocholine Cerenkov radiation energy transfer (CRET) coupled with TF- and ErbB2/3- molecularly

Collection, processing and dissemination of data for the national solar demonstration program

NASA Technical Reports Server (NTRS)

Day, R. E.; Murphy, L. J.; Smok, J. T.

1978-01-01

A national solar data system developed for the DOE by IBM provides for automatic gathering, conversion, transfer, and analysis of demonstration site data. NASA requirements for this system include providing solar site hardware, engineering, data collection, and analysis. The specific tasks include: (1) solar energy system design/integration; (2) developing a site data acquisition subsystem; (3) developing a central data processing system; (4) operating the test facility at Marshall Space Flight Center; (5) collecting and analyzing data. The systematic analysis and evaluation of the data from the National Solar Data System is reflected in a monthly performance report and a solar energy system performance evaluation report.

Resonant electronic excitation energy transfer by Dexter mechanism in the quantum dot system

NASA Astrophysics Data System (ADS)

Samosvat, D. M.; Chikalova-Luzina, O. P.; Vyatkin, V. M.; Zegrya, G. G.

2016-11-01

In present work the energy transfer between quantum dots by the exchange (Dexter) mechanism is analysed. The interdot Coulomb interaction is taken into consideration. It is assumed that the quantum dot-donor and the quantum dot-acceptor are made from the same compound A3B5 and embedded in the matrix of other material creating potential barriers for electron and holes. The dependences of the energy transfer rate on the quantum-dot system parameters are found using the Kane model that provides the most adequate description spectra of semiconductors A3B5. Numerical calculations show that the rate of the energy transfer by Dexter mechanism is comparable to the rate of the energy transfer by electrostatic mechanism at the distances approaching to the contact ones.

Novel multistep BRET-FRET energy transfer using nanoconjugates of firefly proteins, quantum dots, and red fluorescent proteins

NASA Astrophysics Data System (ADS)

Alam, Rabeka; Zylstra, Joshua; Fontaine, Danielle M.; Branchini, Bruce R.; Maye, Mathew M.

2013-05-01

Sequential bioluminescence resonance energy transfer (BRET) and fluorescence resonance energy transfer (FRET) from firefly luciferase to red fluorescent proteins using quantum dot or rod acceptor/donor linkers is described. The effect of morphology and tuned optical properties on the efficiency of this unique BRET-FRET system was evaluated.Sequential bioluminescence resonance energy transfer (BRET) and fluorescence resonance energy transfer (FRET) from firefly luciferase to red fluorescent proteins using quantum dot or rod acceptor/donor linkers is described. The effect of morphology and tuned optical properties on the efficiency of this unique BRET-FRET system was evaluated. Electronic supplementary information (ESI) available: Experimental details, Fig. S1 and Table S1-S4. See DOI: 10.1039/c3nr01842c

Vibration-translation energy transfer in vibrationally excited diatomic molecules. Ph.D. Thesis - York Univ., Toronto

NASA Technical Reports Server (NTRS)

Mckenzie, R. L.

1976-01-01

A semiclassical collision model is applied to the study of energy transfer rates between a vibrationally excited diatomic molecule and a structureless atom. The molecule is modeled as an anharmonic oscillator with a multitude of dynamically coupled vibrational states. Three main aspects in the prediction of vibrational energy transfer rates are considered. The applicability of the semiclassical model to an anharmonic oscillator is first evaluated for collinear encounters. Second, the collinear semiclassical model is applied to obtain numerical predictions of the vibrational energy transfer rate dependence on the initial vibrational state quantum number. Thermally averaged vibration-translation rate coefficients are predicted and compared with CO-He experimental values for both ground and excited initial states. The numerical model is also used as a basis for evaluating several less complete but analytic models. Third, the role of rational motion in the dynamics of vibrational energy transfer is examined. A three-dimensional semiclassical collision model is constructed with coupled rotational motion included. Energy transfer within the molecule is shown to be dominated by vibration-rotation transitions with small changes in angular momentum. The rates of vibrational energy transfer in molecules with rational frequencies that are very small in comparison to their vibrational frequency are shown to be adequately treated by the preceding collinear models.

Tunable energy transfer from d 10 heterobimetallic dicyanide(I) donor ions to terbium(III) acceptor ions in luminescent Tb[Ag xAu 1- x(CN) 2] 3 ( x = 0 → 1)

NASA Astrophysics Data System (ADS)

Lu, Haiyan; Yson, Renante; Ford, James; Tracy, Henry J.; Carrier, Alora B.; Keller, Aaron; Mullin, Jerome L.; Poissan, Michelle J.; Sawan, Samuel; Patterson, Howard H.

2007-07-01

We report on the heterobimetallic system, Tb[Ag xAu 1- x(CN) 2] 3 ( x = 0 → 1), in which sensitization of terbium luminescence occurs by energy transfer from [Ag xAu 1- x(CN) 2] - donor excited states. The donor states have energies which are tunable and dependent on the Ag/Au stoichiometric ratio. We report on their use as donor systems with Tb(III) ions as acceptor ions in energy transfer studies. Luminescence results show that the mixed metal dicyanides with the higher silver loading have a better energy transfer efficiency than the pure Ag(CN)2- and Au(CN)2- donors. The better energy transfer efficiency is due to the greater overlap between the donor emission and acceptor excitation.

Time-dependent mean-field determination of the excitation energy in transfer reactions: Application to the reaction 238U on 12C at 6.14 MeV/nucleon

NASA Astrophysics Data System (ADS)

Scamps, G.; Rodríguez-Tajes, C.; Lacroix, D.; Farget, F.

2017-02-01

The internal excitation of nuclei after multinucleon transfer is estimated by using the time-dependent mean-field theory. Transfer probabilities for each channel as well as the energy loss after reseparation are calculated. By combining these two pieces of information, we show that the excitation energy distribution of the transfer fragments can be obtained separately for the different transfer channels. The method is applied to the reaction involving a 238U beam on a 12C target, which has recently been measured at GANIL. It is shown that the excitation energy calculated with the microscopic theory compares well with the experimental observation, provided that the competition with fusion is properly taken into account. The reliability of the excitation energy is further confirmed by the comparison with the phenomenological heavy-ion phase-space model at higher center-of-mass energies.

Hot-electron transfer in quantum-dot heterojunction films.

PubMed

Grimaldi, Gianluca; Crisp, Ryan W; Ten Brinck, Stephanie; Zapata, Felipe; van Ouwendorp, Michiko; Renaud, Nicolas; Kirkwood, Nicholas; Evers, Wiel H; Kinge, Sachin; Infante, Ivan; Siebbeles, Laurens D A; Houtepen, Arjan J

2018-06-13

Thermalization losses limit the photon-to-power conversion of solar cells at the high-energy side of the solar spectrum, as electrons quickly lose their energy relaxing to the band edge. Hot-electron transfer could reduce these losses. Here, we demonstrate fast and efficient hot-electron transfer between lead selenide and cadmium selenide quantum dots assembled in a quantum-dot heterojunction solid. In this system, the energy structure of the absorber material and of the electron extracting material can be easily tuned via a variation of quantum-dot size, allowing us to tailor the energetics of the transfer process for device applications. The efficiency of the transfer process increases with excitation energy as a result of the more favorable competition between hot-electron transfer and electron cooling. The experimental picture is supported by time-domain density functional theory calculations, showing that electron density is transferred from lead selenide to cadmium selenide quantum dots on the sub-picosecond timescale.

Quantifying highly efficient incoherent energy transfer in perylene-based multichromophore arrays.

PubMed

Webb, James E A; Chen, Kai; Prasad, Shyamal K K; Wojciechowski, Jonathan P; Falber, Alexander; Thordarson, Pall; Hodgkiss, Justin M

2016-01-21

Multichromophore perylene arrays were designed and synthesized to have extremely efficient resonance energy transfer. Using broadband ultrafast photoluminescence and transient absorption spectroscopies, transfer timescales of approximately 1 picosecond were resolved, corresponding to efficiencies of up to 99.98%. The broadband measurements also revealed spectra corresponding to incoherent transfer between localized states. Polarization resolved spectroscopy was used to measure the dipolar angles between donor and acceptor chromophores, thereby enabling geometric factors to be fixed when assessing the validity of Förster theory in this regime. Förster theory was found to predict the correct magnitude of transfer rates, with measured ∼2-fold deviations consistent with the breakdown of the point-dipole approximation at close approach. The materials presented, along with the novel methods for quantifying ultrahigh energy transfer efficiencies, will be valuable for applications demanding extremely efficient energy transfer, including fluorescent solar concentrators, optical gain, and photonic logic devices.

Investigation of tryptophan-NADH interactions in live human cells using three-photon fluorescence lifetime imaging and Förster resonance energy transfer microscopy

NASA Astrophysics Data System (ADS)

Jyothikumar, Vinod; Sun, Yuansheng; Periasamy, Ammasi

2013-06-01

A method to investigate the metabolic activity of intracellular tryptophan (TRP) and coenzyme-NADH using three-photon (3P) fluorescence lifetime imaging (FLIM) and Förster resonance energy transfer (FRET) is presented. Through systematic analysis of FLIM data from tumorigenic and nontumorigenic cells, a statistically significant decrease in the fluorescence lifetime of TRP was observed in response to the increase in protein-bound NADH as cells were treated with glucose. The results demonstrate the potential use of 3P-FLIM-FRET as a tool for label-free screening of the change in metabolic flux occurring in human diseases or other clinical conditions.

The Evaluation of Water Conservation for Municipal and Industrial Water Supply: Illustrative Examples. Water Conservation and Supply Information Transfer and Analysis Program. Revision.

DTIC Science & Technology

1981-02-01

108 NED Project Plan........................................ 108 EQ Project Plan ......................................... 115 Performance of Water...Conservation Proposal: ED Objective ............. 115 50. Atlanta ED Water Conservation Proposal: EQasObjective............. 115 52. Atlanta EQ Water... differential inflation of energy prices, this would provide an annualized energy-related advantageous effect of $655,000/year. Measure A2--Moderate Kit

Internal Tide Generation by Steep Topography

DTIC Science & Technology

2007-09-01

acting on the barotropic tide ( Foda and Hill 1998) was incomplete. Kunze will put this work in the context of recent internal tide research and...Topographically generated internal waves in the open ocean. J. Geophys. Res., 80, 320-327. Foda , M.A., and D.F. Hill, 1998: Nonlinear energy...Bispectral analysis of energy transfer within the two-dimensional ocean internal wave field. . Phys. Oceanogr., 35, 2104-2109. Garrett, C., and E

Ultrasonic guided wave propagation across waveguide transitions: energy transfer and mode conversion.

PubMed

Puthillath, Padmakumar; Galan, Jose M; Ren, Baiyang; Lissenden, Cliff J; Rose, Joseph L

2013-05-01

Ultrasonic guided wave inspection of structures containing adhesively bonded joints requires an understanding of the interaction of guided waves with geometric and material discontinuities or transitions in the waveguide. Such interactions result in mode conversion with energy being partitioned among the reflected and transmitted modes. The step transition between an aluminum layer and an aluminum-adhesive-aluminum multi-layer waveguide is analyzed as a model structure. Dispersion analysis enables assessment of (i) synchronism through dispersion curve overlap and (ii) wavestructure correlation. Mode-pairs in the multi-layer waveguide are defined relative to a prescribed mode in a single layer as being synchronized and having nearly perfect wavestructure matching. Only a limited number of mode-pairs exist, and each has a unique frequency range. A hybrid model based on semi-analytical finite elements and the normal mode expansion is implemented to assess mode conversion at a step transition in a waveguide. The model results indicate that synchronism and wavestructure matching is associated with energy transfer through the step transition, and that the energy of an incident wave mode in a single layer is transmitted almost entirely to the associated mode-pair, where one exists. This analysis guides the selection of incident modes that convert into transmitted modes and improve adhesive joint inspection with ultrasonic guided waves.

Influence of intra-pigment vibrations on dynamics of photosynthetic exciton.

PubMed

Sato, Yoshihiro; Doolittle, Brian

2014-11-14

We have numerically investigated the effect of an underdamped intra-pigment vibrational mode on an exciton's quantum coherence and energy transfer efficiency. Our model describes a bacteriochlorophyll a pigment-protein dimer under the conditions at which photosynthetic energy transfer occurs. The dimer is modeled using a theoretical treatment of a vibronic exciton, and its dynamics are numerically analyzed using a non-Markovian and non-perturbative method. We examined the system's response to various values of the Huang-Rhys factor, site energy difference, reorganization energy, and reorganization energy difference. We found that the inclusion of the intra-pigment vibronic mode allows for long-lived oscillatory quantum coherences to occur. This excitonic coherence is robust against static site-energy disorder. The vibrational mode also promotes exciton transfer along the site-energy landscape thus improving the overall energy transfer efficiency.

Dynamics of energy transfer from lycopene to bacteriochlorophyll in genetically-modified LH2 complexes of Rhodobacter sphaeroides.

PubMed

Hörvin Billsten, H; Herek, J L; Garcia-Asua, G; Hashøj, L; Polívka, T; Hunter, C N; Sundström, V

2002-03-26

LH2 complexes from Rb. sphaeroides were modified genetically so that lycopene, with 11 saturated double bonds, replaced the native carotenoids which contain 10 saturated double bonds. Tuning the S1 level of the carotenoid in LH2 in this way affected the dynamics of energy transfer within LH2, which were investigated using both steady-state and time-resolved techniques. The S1 energy of lycopene in n-hexane was determined to be approximately 12 500 +/- 150 cm(-1), by direct measurement of the S1-S2 transient absorption spectrum using a femtosecond IR-probing technique, thus placing an upper limit on the S1 energy of lycopene in the LH2 complex. Fluorescence emission and excitation spectra demonstrated that energy can be transferred from lycopene to the bacteriochlorophyll molecules within this LH2 complex. The energy-transfer dynamics within the mutant complex were compared to wild-type LH2 from Rb. sphaeroides containing the carotenoid spheroidene and from Rs. molischianum, in which lycopene is the native carotenoid. The results show that the overall efficiency for Crt --> B850 energy transfer is approximately 80% in lyco-LH2 and approximately 95% in WT-LH2 of Rb. sphaeroides. The difference in overall Crt --> BChl transfer efficiency of lyco-LH2 and WT-LH2 mainly relates to the low efficiency of the Crt S(1) --> BChl pathway for complexes containing lycopene, which was 20% in lyco-LH2. These results show that in an LH2 complex where the Crt S1 energy is sufficiently high to provide efficient spectral overlap with both B800 and B850 Q(y) states, energy transfer via the Crt S1 state occurs to both pigments. However, the introduction of lycopene into the Rb. sphaeroides LH2 complex lowers the S1 level of the carotenoid sufficiently to prevent efficient transfer of energy to the B800 Q(y) state, leaving only the Crt S1 --> B850 channel, strongly suggesting that Crt S1 --> BChl energy transfer is controlled by the relative Crt S1 and BChl Q(y) energies.

Evaluating Technology Transfer and Diffusion.

ERIC Educational Resources Information Center

Bozeman, Barry; And Others

1988-01-01

Four articles discuss the evaluation of technology transfer and diffusion: (1) "Technology Transfer at the U.S. National Laboratories: A Framework for Evaluation"; (2) "Application of Social Psychological and Evaluation Research: Lessons from Energy Information Programs"; (3) "Technology and Knowledge Transfer in Energy R and D Laboratories: An…

Increasing the productivity of glycopeptides analysis by using higher-energy collision dissociation-accurate mass-product-dependent electron transfer dissociation.

PubMed

Saba, Julian; Dutta, Sucharita; Hemenway, Eric; Viner, Rosa

2012-01-01

Currently, glycans are attracting attention from the scientific community as potential biomarkers or as posttranslational modifications (PTMs) of therapeutic proteins. However, structural characterization of glycoproteins and glycopeptides remains analytically challenging. Here, we report on the implementation of a novel acquisition strategy termed higher-energy collision dissociation-accurate mass-product-dependent electron transfer dissociation (HCD-PD-ETD) on a hybrid linear ion trap-orbitrap mass spectrometer. This acquisition strategy uses the complementary fragmentations of ETD and HCD for glycopeptides analysis in an intelligent fashion. Furthermore, the approach minimizes user input for optimizing instrumental parameters and enables straightforward detection of glycopeptides. ETD spectra are only acquired when glycan oxonium ions from MS/MS HCD are detected. The advantage of this approach is that it streamlines data analysis and improves dynamic range and duty cycle. Here, we present the benefits of HCD-PD-ETD relative to the traditional alternating HCD/ETD for a trainer set containing twelve-protein mixture with two glycoproteins: human serotransferrin, ovalbumin and contaminations of two other: bovine alpha 1 acid glycoprotein (bAGP) and bovine fetuin.

Crossed-beam energy transfer: polarization effects and evidence of saturation

NASA Astrophysics Data System (ADS)

Turnbull, D.; Colaïtis, A.; Follett, R. K.; Palastro, J. P.; Froula, D. H.; Michel, P.; Goyon, C.; Chapman, T.; Divol, L.; Kemp, G. E.; Mariscal, D.; Patankar, S.; Pollock, B. B.; Ross, J. S.; Moody, J. D.; Tubman, E. R.; Woolsey, N. C.

2018-05-01

Recent results on crossed-beam energy transfer are presented. Wavelength tuning was used to vary the amount of energy transfer between two beams in a quasi-stationary plasma with carefully controlled conditions. The amount of transfer agreed well with calculations assuming linear ion acoustic waves (IAWs) with amplitudes up to δ n/n≈ 0.015. Increasing the initial probe intensity to access larger IAW amplitudes for otherwise fixed conditions yields evidence of saturation. The ability to manipulate a beam's polarization, which results from the anisotropic nature of the interaction, is revisited; an example is provided to demonstrate how polarization effects in a multibeam situation can dramatically enhance the expected amount of energy transfer.

Plastic scintillator enhancement through Quantum Dot

NASA Astrophysics Data System (ADS)

Tam, Alan; Boyraz, Ozdal; Nilsson, Mikael

2017-08-01

Plastic scintillators such as Polyvinyl Toluene (PVT) are used for radiation detection but due to their poor performance they are not widely implemented. In order to circumnavigate this, dopants are added to enhance scintillation by energy transfer otherwise lost through non-radiative processes. In this work, we exploit the effects of energy transfer through the use of short wavelength emission Cadmium Sulfide Quantum Dots (QD) as the transfer stimulant. Scintillation enhancement was observed as Cadmium Sulfide QD with scintillating dyes are embedded in PVT polymer matrix for beta and gamma radiation. Energy transfer was observed between Quantum Dots, scintillating dye, and the host polymer. Different concentrations of QD and 2,5-diphenyloxazole (PPO) dye are investigated to characterize the energy transfer.

Utilizing Energy Transfer in Binary and Ternary Bulk Heterojunction Organic Solar Cells.

PubMed

Feron, Krishna; Cave, James M; Thameel, Mahir N; O'Sullivan, Connor; Kroon, Renee; Andersson, Mats R; Zhou, Xiaojing; Fell, Christopher J; Belcher, Warwick J; Walker, Alison B; Dastoor, Paul C

2016-08-17

Energy transfer has been identified as an important process in ternary organic solar cells. Here, we develop kinetic Monte Carlo (KMC) models to assess the impact of energy transfer in ternary and binary bulk heterojunction systems. We used fluorescence and absorption spectroscopy to determine the energy disorder and Förster radii for poly(3-hexylthiophene-2,5-diyl), [6,6]-phenyl-C61-butyric acid methyl ester, 4-bis[4-(N,N-diisobutylamino)-2,6-dihydroxyphenyl]squaraine (DIBSq), and poly(2,5-thiophene-alt-4,9-bis(2-hexyldecyl)-4,9-dihydrodithieno[3,2-c:3',2'-h][1,5]naphthyridine-5,10-dione). Heterogeneous energy transfer is found to be crucial in the exciton dissociation process of both binary and ternary organic semiconductor systems. Circumstances favoring energy transfer across interfaces allow relaxation of the electronic energy level requirements, meaning that a cascade structure is not required for efficient ternary organic solar cells. We explain how energy transfer can be exploited to eliminate additional energy losses in ternary bulk heterojunction solar cells, thus increasing their open-circuit voltage without loss in short-circuit current. In particular, we show that it is important that the DIBSq is located at the electron donor-acceptor interface; otherwise charge carriers will be trapped in the DIBSq domain or excitons in the DIBSq domains will not be able to dissociate efficiently at an interface. KMC modeling shows that only small amounts of DIBSq (<5% by weight) are needed to achieve substantial performance improvements due to long-range energy transfer.

On the relationships of gas transfer velocity with turbulent kinetic energy dissipation rate and wind waves

NASA Astrophysics Data System (ADS)

Zhao, D.

2012-12-01

The exchange of carbon dioxide across the air-sea interface is an important component of the atmospheric CO2 budget. Understanding how future changes in climate will affect oceanic uptake and releaser CO2 requires accurate estimation of air-sea CO2 flux. This flux is typically expressed as the product of gas transfer velocity, CO2 partial pressure difference in seawater and air, and the CO2 solubility. As the key parameter, gas transfer velocity has long been known to be controlled by the near-surface turbulence in water, which is affected by many factors, such as wind forcing, ocean waves, water-side convection and rainfall. Although the wind forcing is believed as the major factor dominating the near-surface turbulence, many studies have shown that the wind waves and their breaking would greatly enhance turbulence compared with the classical solid wall theory. Gas transfer velocity has been parameterized in terms of wind speed, turbulent kinetic energy dissipation rate, and wave parameters on the basis of observational data or theoretical analysis. However, great discrepancies, as large as one order, exist among these formulas. In this study, we will systematically analyze the differences of gas transfer velocity proposed so far, and try to find the reason that leads to their uncertainties. Finally, a new formula for gas transfer velocity will be given in terms of wind speed and wind wave parameter.

Efficient Nd3+→Yb3+ energy transfer processes in high phonon energy phosphate glasses for 1.0 μm Yb3+ laser

NASA Astrophysics Data System (ADS)

Rivera-López, F.; Babu, P.; Basavapoornima, Ch.; Jayasankar, C. K.; Lavín, V.

2011-06-01

Efficient Nd3+→Yb3+ resonant and phonon-assisted energy transfer processes have been observed in phosphate glasses and have been studied using steady-state and time-resolved optical spectroscopies. Results indicate that the energy transfer occurs via nonradiative electric dipole-dipole processes and is enhanced with the concentration of Yb3+ acceptor ions, having an efficiency higher than 75% for the glass doped with 1 mol% of Nd2O3 and 4 mol% of Yb2O3. The luminescence decay curves show a nonexponential character and the energy transfer microscopic parameter calculated with the Inokuti-Hirayama model gives a value of 240 × 10-40 cm6 s-1, being one of the highest reported in the literature for Nd3+-Yb3+ co-doped matrices. From the steady-state experimental absorption and emission cross-sections, a general expression for estimating the microscopic energy transfer parameter is proposed based upon the theoretical methods developed by Miyakawa and Dexter and Tarelho et al. This expression takes into account all the resonant mechanisms involved in an energy transfer processes together with other phonon-assisted nonvanishing overlaps. The value of the Nd3+→Yb3+ energy transfer microscopic parameter has been calculated to be 200 × 10-40 cm6 s-1, which is in good agreement with that obtained from the Inokuti-Hirayama fitting. These results show the importance of the nonresonant phonon-assisted Nd3+→Yb3+ energy transfer processes and the great potential of these glasses as active matrices in the development of multiple-pump-channel Yb3+ lasers.

Targeting Low-Energy Ballistic Lunar Transfers

NASA Technical Reports Server (NTRS)

Parker, Jeffrey S.

2010-01-01

Numerous low-energy ballistic transfers exist between the Earth and Moon that require less fuel than conventional transfers, but require three or more months of transfer time. An entirely ballistic lunar transfer departs the Earth from a particular declination at some time in order to arrive at the Moon at a given time along a desirable approach. Maneuvers may be added to the trajectory in order to adjust the Earth departure to meet mission requirements. In this paper, we characterize the (Delta)V cost required to adjust a low-energy ballistic lunar transfer such that a spacecraft may depart the Earth at a desirable declination, e.g., 28.5(white bullet), on a designated date. This study identifies the optimal locations to place one or two maneuvers along a transfer to minimize the (Delta)V cost of the transfer. One practical application of this study is to characterize the launch period for a mission that aims to launch from a particular launch site, such as Cape Canaveral, Florida, and arrive at a particular orbit at the Moon on a given date using a three-month low-energy transfer.

Design and optimization of resonance-based efficient wireless power delivery systems for biomedical implants.

PubMed

Ramrakhyani, A K; Mirabbasi, S; Mu Chiao

2011-02-01

Resonance-based wireless power delivery is an efficient technique to transfer power over a relatively long distance. This technique typically uses four coils as opposed to two coils used in conventional inductive links. In the four-coil system, the adverse effects of a low coupling coefficient between primary and secondary coils are compensated by using high-quality (Q) factor coils, and the efficiency of the system is improved. Unlike its two-coil counterpart, the efficiency profile of the power transfer is not a monotonically decreasing function of the operating distance and is less sensitive to changes in the distance between the primary and secondary coils. A four-coil energy transfer system can be optimized to provide maximum efficiency at a given operating distance. We have analyzed the four-coil energy transfer systems and outlined the effect of design parameters on power-transfer efficiency. Design steps to obtain the efficient power-transfer system are presented and a design example is provided. A proof-of-concept prototype system is implemented and confirms the validity of the proposed analysis and design techniques. In the prototype system, for a power-link frequency of 700 kHz and a coil distance range of 10 to 20 mm, using a 22-mm diameter implantable coil resonance-based system shows a power-transfer efficiency of more than 80% with an enhanced operating range compared to ~40% efficiency achieved by a conventional two-coil system.

Synthesis of charge transfer complex of chloranilic acid as acceptor with p-nitroaniline as donor: Crystallographic, UV-visible spectrophotometric and antimicrobial studies

NASA Astrophysics Data System (ADS)

Zulkarnain; Khan, Ishaat M.; Ahmad, Afaq; Miyan, Lal; Ahmad, Musheer; Azizc, Nafe

2017-08-01

The charge transfer interaction between p-nitroaniline (PNA) and chloranilic (CAA) acid was studied spectrophotometrically in methanol at different temperatures within the range 298-328 K. This experimental work explores the nature of charge-transfer interactions that play a significant role in chemistry and biology. Structure of synthesized charge transfer (CT) complex was investigated by different technique such as X-ray crystallography, FTIR, 1HNMR, UV-visible spectroscopy, XRD and TGA-DTA, which indicates the presence of N+sbnd Hrbd2bd O- bond between donor and acceptor moieties. Spectrophotometric studies of CT complexes were carried out in methanol at different temperatures to estimate thermodynamic parameters such as formation constant (KCT), molar absorptivity (εCT), free energy change (ΔG), enthalpy change (ΔH), resonance energy (RN), oscillator strength (f), transition dipole moment (μEN) and interaction energy (ECT) were also calculated. The effect of temperatures on all the parameters was studied in methanol. 1:1 stoichiometric of CT-complex was ascertained by Benesi-Hildebrand plots giving straight line, which are good agreement with other analysis. Synthesized CT complex was screened for its antimicrobial activity such as antibacterial activity against two gram-positive bacteria, Staphylococcus aureus and bacillus subtilis and two gram negative bacteria Escherichia coli and pseudomonas aeruginosa, and antifungal activity against fungi Fusarium oxysporum, and Aspergillus flavus.

SU-C-BRE-07: Sensitivity Analysis of the Threshold Energy for the Creation of Strand Breaks and of Single and Double Strand Break Clustering Conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pater, P

Purpose: To analyse the sensitivity of the creation of strand breaks (SB) to the threshold energy (Eth) and thresholding method and to quantify the impact of clustering conditions on single strand break (SSB) and double strand break (DSB) yields. Methods: Monte Carlo simulations using Geant4-DNA were conducted for electron tracks of 280 eV to 220 keV in a geometrical DNA model composed of nucleosomes of 396 phospho-diester groups (PDGs) each. A strand break was created inside a PDG when the sum of all energy deposits (method 1) or energy transfers (method 2) was higher than Eth or when at leastmore » one interaction deposited (method 3) or transferred (method 4) an energy higher than Eth. SBs were then clustered into SSBs and DSBs using clustering scoring criteria from the literature and compared to our own. Results: The total number of SBs decreases as Eth is increased. In addition, thresholding on the energy transfers (methods 2 and 4) produces a higher SB count than when thresholding on energy deposits (methods 1 and 3). Method 2 produces a step-like function and should be avoided when attempting to optimize Eth. When SBs are grouped into damage patterns, clustering conditions can underestimated SSBs by up to 18 % and DSBs can be overestimated by up to 12 % compared to our own implementation. Conclusion: We show that two often underreported simulation parameters have a non-negligible effect on overall DNA damage yields. First more SBs are counted when using energy transfers to the PDG rather than energy deposits. Also, SBs grouped according to different clustering conditions can influence reported SSB and DSB by as much as 20%. Careful handling of these parameters is required when trying to compare DNA damage yields from different authors. Research funding from the governments of Canada and Quebec. PP acknowledges partial support by the CREATE Medical Physics Research Training Network grant of the Natural Sciences and Engineering Research Council (Grant number: 432290)« less

10 CFR 32.56 - Same: Material transfer reports.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 1 2010-01-01 2010-01-01 false Same: Material transfer reports. 32.56 Section 32.56 Energy NUCLEAR REGULATORY COMMISSION SPECIFIC DOMESTIC LICENSES TO MANUFACTURE OR TRANSFER CERTAIN ITEMS CONTAINING BYPRODUCT MATERIAL Generally Licensed Items § 32.56 Same: Material transfer reports. Each person...

10 CFR 32.56 - Same: Material transfer reports.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 1 2011-01-01 2011-01-01 false Same: Material transfer reports. 32.56 Section 32.56 Energy NUCLEAR REGULATORY COMMISSION SPECIFIC DOMESTIC LICENSES TO MANUFACTURE OR TRANSFER CERTAIN ITEMS CONTAINING BYPRODUCT MATERIAL Generally Licensed Items § 32.56 Same: Material transfer reports. Each person...

10 CFR 76.83 - Transfer of radioactive material.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 2 2013-01-01 2013-01-01 false Transfer of radioactive material. 76.83 Section 76.83 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF GASEOUS DIFFUSION PLANTS Safety § 76.83 Transfer of radioactive material. (a) The Corporation may not transfer radioactive material except as...

10 CFR 76.83 - Transfer of radioactive material.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 2 2014-01-01 2014-01-01 false Transfer of radioactive material. 76.83 Section 76.83 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF GASEOUS DIFFUSION PLANTS Safety § 76.83 Transfer of radioactive material. (a) The Corporation may not transfer radioactive material except as...

10 CFR 76.83 - Transfer of radioactive material.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 2 2010-01-01 2010-01-01 false Transfer of radioactive material. 76.83 Section 76.83 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF GASEOUS DIFFUSION PLANTS Safety § 76.83 Transfer of radioactive material. (a) The Corporation may not transfer radioactive material except as...

10 CFR 76.83 - Transfer of radioactive material.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 2 2012-01-01 2012-01-01 false Transfer of radioactive material. 76.83 Section 76.83 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF GASEOUS DIFFUSION PLANTS Safety § 76.83 Transfer of radioactive material. (a) The Corporation may not transfer radioactive material except as...

10 CFR 76.83 - Transfer of radioactive material.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 2 2011-01-01 2011-01-01 false Transfer of radioactive material. 76.83 Section 76.83 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF GASEOUS DIFFUSION PLANTS Safety § 76.83 Transfer of radioactive material. (a) The Corporation may not transfer radioactive material except as...

An automated real-time microscopy system for analysis of fluorescence resonance energy transfer

NASA Astrophysics Data System (ADS)

Bernardini, André; Wotzlaw, Christoph; Lipinski, Hans-Gerd; Fandrey, Joachim

2010-05-01

Molecular imaging based on Fluorescence Resonance Energy Transfer (FRET) is widely used in cellular physiology both for protein-protein interaction analysis and detecting conformational changes of single proteins, e.g. during activation of signaling cascades. However, getting reliable results from FRET measurements is still hampered by methodological problems such as spectral bleed through, chromatic aberration, focal plane shifts and false positive FRET. Particularly false positive FRET signals caused by random interaction of the fluorescent dyes can easily lead to misinterpretation of the data. This work introduces a Nipkow Disc based FRET microscopy system, that is easy to operate without expert knowledge of FRET. The system automatically accounts for all relevant sources of errors and provides various result presentations of two, three and four dimensional FRET data. Two examples are given to demonstrate the scope of application. An interaction analysis of the two subunits of the hypoxia-inducible transcription factor 1 demonstrates the use of the system as a tool for protein-protein interaction analysis. As an example for time lapse observations, the conformational change of the fluorophore labeled heat shock protein 33 in the presence of oxidant stress is shown.

Serrating Nozzle Surfaces for Complete Transfer of Droplets

NASA Technical Reports Server (NTRS)

Kim, Chang-Jin " CJ" ; Yi, Uichong

2010-01-01

A method of ensuring the complete transfer of liquid droplets from nozzles in microfluidic devices to nearby surfaces involves relatively simple geometric modification of the nozzle surfaces. The method is especially applicable to nozzles in print heads and similar devices required to dispense liquid droplets having precise volumes. Examples of such devices include heads for soft printing of ink on paper and heads for depositing droplets of deoxyribonucleic acid (DNA) or protein solutions on glass plates to form microarrays of spots for analysis. The main purpose served by the present method is to ensure that droplets transferred from a nozzle have consistent volume, as needed to ensure accuracy in microarray analysis or consistent appearance of printed text and images. In soft printing, droplets having consistent volume are generated inside a print head, but in the absence of the present method, the consistency is lost in printing because after each printing action (in which a drop is ejected from a nozzle), a small residual volume of liquid remains attached to the nozzle. By providing for complete transfer of droplets (and thus eliminating residual liquid attached to the nozzle) the method ensures consistency of volume of transferred droplets. An additional benefit of elimination of residue is prevention of cross-contamination among different liquids printed through the same nozzle a major consideration in DNA microarray analysis. The method also accelerates the printing process by minimizing the need to clean a printing head to prevent cross-contamination. Soft printing involves a hydrophobic nozzle surface and a hydrophilic print surface. When the two surfaces are brought into proximity such that a droplet in the nozzle makes contact with the print surface, a substantial portion of the droplet becomes transferred to the print surface. Then as the nozzle and the print surface are pulled apart, the droplet is pulled apart and most of the droplet remains on the print surface. The basic principle of the present method is to reduce the liquid-solid surface energy of the nozzle to a level sufficiently below the intrinsic solid-liquid surface energy of the nozzle material so that the droplet is not pulled apart and, instead, the entire droplet volume becomes transferred to the print surface. In this method, the liquid-solid surface energy is reduced by introducing artificial surface roughness in the form of micromachined serrations on the inner nozzle surface (see figure). The method was tested in experiments on soft printing of DNA solutions and of deionized water through 0.5-mm-diameter nozzles, of which some were not serrated, some were partially serrated, and some were fully serrated. In the nozzles without serrations, transfer was incomplete; that is, residual liquids remained in the nozzles after printing. However, in every nozzle in which at least half the inner surface was serrated, complete transfer of droplets to the print surface was achieved.

A combined spectroscopic, molecular docking and molecular dynamic simulation study on the interaction of quercetin with β-casein nanoparticles.

PubMed

Mehranfar, Fahimeh; Bordbar, Abdol-Khalegh; Parastar, Hadi

2013-10-05

The interaction of quercetin with β-casein nanoparticle micelle was studied at various temperatures in order to do a complete thermodynamic and molecular analysis on the binding process. The results of fluorescence studies showed the possibility of fluorescence energy transfer between excited tryptophan and quercetin. The determined values of critical transfers distance and the mean distance of ligand from Trp-143 residues in β-casein micelle represents a non-radiative energy transfer mechanism for quenching and the existence of a significant interaction between this flavonoid and β-casein nanoparticle. The equilibrium binding of quercetin with β-casein micelle at different temperatures was studied by using UV-Vis absorption spectroscopy. The chemometric analysis (principal component analysis (PCA) and multivariate curve resolution-alternating least squares (MCR-ALS) methods) on spectrophotometric data revealed the existence of two components in solution (quercetin and β-casein-quercetin complex) and resolved their pure concentration and spectral profiles. This information let us to calculate the equilibrium binding constant at various temperatures and the relevant thermodynamic parameters of interaction (enthalpy, entropy and Gibbs free energy) with low uncertainty. The negative values of entropy and enthalpy changes represent the predominate role of hydrogen binding and van der Waals interactions in the binding process. Docking calculations showed the probable binding site of quercetin is located in the hydrophobic core of β-casein where the quercetin molecule is lined by hydrophobic residues and make five hydrogen bonds and several van der Waals contacts with them. Moreover, molecular dynamic (MD) simulation results suggested that this flavonoid can interact with β-casein, without affecting the secondary structure of β-casein. Simulations, molecular docking and experimental data reciprocally supported each other. Copyright © 2013 Elsevier B.V. All rights reserved.

Direct Fluorescence Detection of Allele-Specific PCR Products Using Novel Energy-Transfer Labeled Primers.

PubMed

Winn-Deen

1998-12-01

Background: Currently analysis of point mutations can be done by allele-specific polymerase chain reaction (PCR) followed by gel analysis or by gene-specific PCR followed by hybridization with an allele-specific probe. Both of these mutation detection methods require post-PCR laboratory time and run the risk of contaminating subsequent experiments with the PCR product liberated during the detection step. The author has combined the PCR amplification and detection steps into a single procedure suitable for closed-tube analysis. Methods and Results: Allele-specific PCR primers were designed as Sunrise energy-transfer primers and contained a 3' terminal mismatch to distinguish between normal and mutant DNA. Cloned normal (W64) and mutant (R64) templates of the beta3-adrenergic receptor gene were tested to verify amplification specificity and yield. A no-target negative control was also run with each reaction. After PCR, each reaction was tested for fluorescence yield by measuring fluorescence on a spectrofluorimeter or fluorescent microtitreplate reader. The cloned controls and 24 patient samples were tested for the W64R mutation by two methods. The direct fluorescence results with the Sunrise allele-specific PCR method gave comparable genotypes to those obtained with the PCR/ restriction digest/gel electrophoresis control method. No PCR artifacts were observed in the negative controls or in the PCR reactions run with the mismatched target. Conclusions: The results of this pilot study indicate good PCR product and fluorescence yield from allele-specific energy-transfer labeled primers, and the capability of distinguishing between normal and mutant alleles based on fluorescence alone, without the need for restriction digestion, gel electrophoresis, or hybridization with an allele-specific probe.

Role of an elliptical structure in photosynthetic energy transfer: Collaboration between quantum entanglement and thermal fluctuation

PubMed Central

Oka, Hisaki

2016-01-01

Recent experiments have revealed that the light-harvesting complex 1 (LH1) in purple photosynthetic bacteria has an elliptical structure. Generally, symmetry lowering in a structure leads to a decrease in quantum effects (quantum coherence and entanglement), which have recently been considered to play a role in photosynthetic energy transfer, and hence, elliptical structure seems to work against efficient photosynthetic energy transfer. Here we analyse the effect of an elliptical structure on energy transfer in a purple photosynthetic bacterium and reveal that the elliptical distortion rather enhances energy transfer from peripheral LH2 to LH1 at room temperature. Numerical results show that quantum entanglement between LH1 and LH2 is formed over a wider range of high energy levels than would have been the case with circular LH1. Light energy absorbed by LH2 is thermally pumped via thermal fluctuation and is effectively transferred to LH1 through the entangled states at room temperature rather than at low temperature. This result indicates the possibility that photosynthetic systems adopt an elliptical structure to effectively utilise both quantum entanglement and thermal fluctuation at physiological temperature. PMID:27173144

Adaptation of light-harvesting functions of unicellular green algae to different light qualities.

PubMed

Ueno, Yoshifumi; Aikawa, Shimpei; Kondo, Akihiko; Akimoto, Seiji

2018-05-28

Oxygenic photosynthetic organisms perform photosynthesis efficiently by distributing captured light energy to photosystems (PSs) at an appropriate balance. Maintaining photosynthetic efficiency under changing light conditions requires modification of light-harvesting and energy-transfer processes. In the current study, we examined how green algae regulate their light-harvesting functions in response to different light qualities. We measured low-temperature time-resolved fluorescence spectra of unicellular green algae Chlamydomonas reinhardtii and Chlorella variabilis cells grown under different light qualities. By observing the delayed fluorescence spectra, we demonstrated that both types of green algae primarily modified the associations between light-harvesting chlorophyll protein complexes (LHCs) and PSs (PSII and PSI). Under blue light, Chlamydomonas transferred more energy from LHC to chlorophyll (Chl) located far from the PSII reaction center, while energy was transferred from LHC to PSI via different energy-transfer pathways in Chlorella. Under green light, both green algae exhibited enhanced energy transfer from LHCs to both PSs. Red light induced fluorescence quenching within PSs in Chlamydomonas and LHCs in Chlorella. In Chlorella, energy transfer from PSII to PSI appears to play an important role in balancing excitation between PSII and PSI.

Role of an elliptical structure in photosynthetic energy transfer: Collaboration between quantum entanglement and thermal fluctuation

NASA Astrophysics Data System (ADS)

Oka, Hisaki

2016-05-01

Recent experiments have revealed that the light-harvesting complex 1 (LH1) in purple photosynthetic bacteria has an elliptical structure. Generally, symmetry lowering in a structure leads to a decrease in quantum effects (quantum coherence and entanglement), which have recently been considered to play a role in photosynthetic energy transfer, and hence, elliptical structure seems to work against efficient photosynthetic energy transfer. Here we analyse the effect of an elliptical structure on energy transfer in a purple photosynthetic bacterium and reveal that the elliptical distortion rather enhances energy transfer from peripheral LH2 to LH1 at room temperature. Numerical results show that quantum entanglement between LH1 and LH2 is formed over a wider range of high energy levels than would have been the case with circular LH1. Light energy absorbed by LH2 is thermally pumped via thermal fluctuation and is effectively transferred to LH1 through the entangled states at room temperature rather than at low temperature. This result indicates the possibility that photosynthetic systems adopt an elliptical structure to effectively utilise both quantum entanglement and thermal fluctuation at physiological temperature.

Role of an elliptical structure in photosynthetic energy transfer: Collaboration between quantum entanglement and thermal fluctuation.

PubMed

Oka, Hisaki

2016-05-13

Recent experiments have revealed that the light-harvesting complex 1 (LH1) in purple photosynthetic bacteria has an elliptical structure. Generally, symmetry lowering in a structure leads to a decrease in quantum effects (quantum coherence and entanglement), which have recently been considered to play a role in photosynthetic energy transfer, and hence, elliptical structure seems to work against efficient photosynthetic energy transfer. Here we analyse the effect of an elliptical structure on energy transfer in a purple photosynthetic bacterium and reveal that the elliptical distortion rather enhances energy transfer from peripheral LH2 to LH1 at room temperature. Numerical results show that quantum entanglement between LH1 and LH2 is formed over a wider range of high energy levels than would have been the case with circular LH1. Light energy absorbed by LH2 is thermally pumped via thermal fluctuation and is effectively transferred to LH1 through the entangled states at room temperature rather than at low temperature. This result indicates the possibility that photosynthetic systems adopt an elliptical structure to effectively utilise both quantum entanglement and thermal fluctuation at physiological temperature.

10 CFR 40.51 - Transfer of source or byproduct material.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 1 2010-01-01 2010-01-01 false Transfer of source or byproduct material. 40.51 Section 40.51 Energy NUCLEAR REGULATORY COMMISSION DOMESTIC LICENSING OF SOURCE MATERIAL Transfer of Source... source or byproduct material: (1) To the Department of Energy; (2) To the agency in any Agreement State...

Significance of a Recurring Function in Energy Transfer

ERIC Educational Resources Information Center

Mishra, Subodha

2017-01-01

The appearance of a unique function in the energy transfer from one system to the other in different physical situations such as electrical, mechanical, optical, and quantum mechanical processes is established in this work. Though the laws governing the energy transformation and its transfer from system to system are well known, here we notice a…

Counterpulse railgun energy recovery circuit

DOEpatents

Honig, E.M.

1984-09-28

The invention presented relates to a high-power pulsing circuit and more particularly to a repetitive pulse inductive energy storage and transfer circuit for an electromagnetic launcher. In an electromagnetic launcher such as a railgun for propelling a projectile at high velocity, a counterpulse energy recovery circuit is employed to transfer stored inductive energy from a source inductor to the railgun inductance to propel the projectile down the railgun. Switching circuitry and an energy transfer capacitor are used to switch the energy back to the source inductor in readiness for a repetitive projectile propelling cycle.

Overpulse railgun energy recovery circuit

DOEpatents

Honig, E.M.

1984-09-28

The invention presented relates to a high-power pulsing circuit and more particularly to a repetitive pulse inductive energy storage and transfer circuit for an electromagnetic launcher. In an electromagnetic launcher such as a railgun for propelling a projectile at high velocity, an overpulse energy recovery circuit is employed to transfer stored inductive energy from a source inductor to the railgun inductance to propel the projectile down the railgun. Switching circuitry and an energy transfer capacitor are used to switch the energy back to the source inductor in readiness for a repetitive projectile propelling cycle.

Targeting human c-Myc promoter duplex DNA with actinomycin D by use of multi-way analysis of quantum-dot-mediated fluorescence resonance energy transfer.

PubMed

Gholami, Somayeh; Kompany-Zareh, Mohsen

2013-07-01

Actinomycin D (Act D), an oncogenic c-Myc promoter binder, interferes with the action of RNA polymerase. There is great demand for high-throughput technology able to monitor the activity of DNA-binding drugs. To this end, binding of 7-aminoactinomycin D (7AAD) to the duplex c-Myc promoter was investigated by use of 2D-photoluminescence emission (2D-PLE), and the resulting data were subjected to analysis by use of convenient and powerful multi-way approaches. Fluorescence measurements were performed by use of the quantum dot (QD)-conjugated c-Myc promoter. Intercalation of 7AAD within duplex base pairs resulted in efficient energy transfer from drug to QD via fluorescence resonance energy transfer (FRET). Multi-way analysis of the three-way data array obtained from titration experiments was performed by use of restricted Tucker3 and hard trilinear decomposition (HTD). These techniques enable analysis of high-dimensional and complex data from nanobiological systems which include several spectrally overlapped structures. It was almost impossible to obtain robust and meaningful information about the FRET process for such high overlap data by use of classical analysis. The soft approach had the important advantage over univariate classical methods of enabling us to investigate the source of variance in the fluorescence signal of the DNA-drug complex. It was established that hard trilinear decomposition analysis of FRET-measured data overcomes the problem of rank deficiency, enabling calculation of concentration profiles and pure spectra for all species, including non-fluorophores. The hard modeling approach was also used for determination of equilibrium constants for the hybridization and intercalation equilibria, using nonlinear fit data analysis. The intercalation constant 3.6 × 10(6) mol(-1) L and hybridization stability 1.0 × 10(8) mol(-1) L obtained were in good agreement with values reported in the literature. The analytical concentration of the QD-labeled DNA was determined by use of nonlinear fitting, without using external standard calibration samples. This study was a successful application of multi-way chemometric methods to investigation of nano-biotechnological systems where several overlapped species coexist in solution.

A delicate case of unidirectional proton transfer from water to an aromatic heterocyclic anion.

PubMed

Biswas, Sohag; Mallik, Bhabani S

2016-11-21

We present the characteristic proton transfer process from water to the pyrazole anion, infrared signatures of hydroxyl groups and the free energy profile of the process in aqueous solution combining first principles simulations, wavelet analysis and metadynamics. Our results show that the presence of minimum three water molecules in the gas phase cluster with a particular arrangement is sufficient to facilitate the proton transfer process from water to the anion. The overall reaction is very rapid in aqueous solution, and the free energy barrier for this process is found to be 4.2 kcal mol -1 . One of the earlier reported fundamental reasons for the transfer of proton from water to the anion is the change in the acidity of OH groups surrounding the anion. We have correlated the stretching frequencies of the surrounding OH groups with this acidity. We find that the development of less energetic vibrational states, and the OH mode having lowest average stretching frequency contains the most acidic proton. A large frequency shift of the OH mode belonging to one of the surrounding water molecules is observed during the transfer of proton from water to the anion; this shift is due to the change in acidity of the adjacent hydroxyl groups in the vicinity of the anion.

Luminescence resonance energy transfer (LRET) aptasensor for ochratoxin A detection using upconversion nanoparticles

NASA Astrophysics Data System (ADS)

Jo, Eun-Jung; Byun, Ju-Young; Mun, Hyoyoung; Kim, Min-Gon

2017-07-01

We report an aptasensor for homogeneous ochratoxin A (OTA) detection based on luminescence resonance energy transfer (LRET). This system uses upconversion nanoparticles (UCNPs), such as NaYF4:Yb3+, Er 3+, as the donor. The aptamer includes the optimum-length linker (5-mer-length DNA) and OTA-specific aptamer sequences. Black hole quencher 1 (BHQ1), as the acceptor, was modified at the 3' end of the aptamer sequence. BHQ1 plays as a quencher in LRET aptasensor and shows absorption at 543 nm, which overlaps with well the emission of the UCNPs. When OTA is added, the BHQ1-labeled OTA aptamer was folded due to the formation of the G-quadruplex-OTA complex, which induced the BHQ1 close to the UCNPs. Consequently, resonance energy transfer between UCNPs (donor) and BHQ1 (acceptor) enables quenching of upconversion luminescence signals under laser irradiation of 980 nm. Our results showed that the LRET-based aptasensor allows specific OTA analysis with a limit of detection of 0.03 ng/mL. These results demonstrated that the OTA in diverse foods can be detected specifically and sensitively in a homogeneous manner.

The Importance of Insects in Energy Transfers Across Riparian Ecotones Along Hong Kong Streams

NASA Astrophysics Data System (ADS)

Chan, E. K.; Dudgeon, D.

2005-05-01

Energy and materials in the form of insects transfer reciprocally between land and water through stream riparian ecotones, and may provide important energy subsidies to aquatic and terrestrial consumers. Variation in the magnitude and extent of this transfer was investigated in 2004-05 in six Hong Kong streams: four shaded and two unshaded. A combination of pan traps and light traps were used to investigate seasonal activity of aquatic and terrestrial insects. Both were more abundant during the wet season (April to September). Over 80% of emerging aquatic insects stayed within 20 m of the stream bank at all sites, suggesting that the water to land subsidy was spatially restricted. Inputs of terrestrial insects into shaded streams were 30% greater than at open sites, and drift-feeding Parazacco spilurus (Cyprinidae) ate more terrestrial insects in shaded (>40% of prey) than unshaded streams (25% of prey). Stable isotope analysis (SIA; C & N) of potential prey and fish tissues confirmed the dietary importance of terrestrial insects. The spider Leucauge celebesiana (Tetragnathidae) builds orb web parallel to the water surface during the main period of aquatic insect emergence, and SIA indicated that aquatic insects were the primary prey of this terrestrial consumer.

Effect of membrane microheterogeneity and domain size on fluorescence resonance energy transfer.

PubMed

Towles, Kevin B; Brown, Angela C; Wrenn, Steven P; Dan, Nily

2007-07-15

Studies of multicomponent membranes suggest lateral inhomogeneity in the form of membrane domains, but the size of small (nanoscale) domains in situ cannot be determined with current techniques. In this article, we present a model that enables extraction of membrane domain size from time-resolved fluorescence resonance energy transfer (FRET) data. We expand upon a classic approach to the infinite phase separation limit and formulate a model that accounts for the presence of disklike domains of finite dimensions within a two-dimensional infinite planar bilayer. The model was tested against off-lattice Monte Carlo calculations of a model membrane in the liquid-disordered (l(d)) and liquid-ordered (l(o)) coexistence regime. Simulated domain size was varied from 5 to 50 nm, and two fluorophores, preferentially partitioning into opposite phases, were randomly mixed to obtain the simulated time-resolved FRET data. The Monte Carlo data show clear differences in the efficiency of energy transfer as a function of domain size. The model fit of the data yielded good agreement for the domain size, especially in cases where the domain diameter is <20 nm. Thus, data analysis using the proposed model enables measurement of nanoscale membrane domains using time-resolved FRET.

Detection of ochratoxin A (OTA) in coffee using chemiluminescence resonance energy transfer (CRET) aptasensor.

PubMed

Jo, Eun-Jung; Mun, Hyoyoung; Kim, Su-Ji; Shim, Won-Bo; Kim, Min-Gon

2016-03-01

We report a chemiluminescence resonance energy transfer (CRET) aptasensor for the detection of ochratoxin A (OTA) in roasted coffee beans. The aptamer sequences used in this study are 5'-DNAzyme-Linker-OTA aptamer-3'-dabcyl. Dabcyl at the end of the OTA aptamer region plays as a quencher in CRET aptasensor. When hemin and OTA are added, the dabcyl-labeled OTA aptamer approaches to the G-quadruplex-hemin complex by formation of the G-quadruplex-OTA complex. The G-quadruplex-hemin complexes possess horseradish peroxidase (HRP)-like activity, and therefore, the HRP-mimicking DNAzyme (HRPzyme) catalyzes peroxidation in the presence of luminol and H2O2. Resonance energy transfer between luminol (donor) and dabcyl (acceptor) enables quenching of chemiluminescence signals. The signal decreases with increasing the concentration of OTA within the range of 0.1-100ngmL(-1) (limit of detection 0.22ngmL(-1)), and the level of recovery of the respective 1ngmL(-1) and 10ngmL(-1) spiked coffee samples was 71.5% and 93.3%. These results demonstrated the potential of the proposed method for OTA analysis in diverse foods. Copyright © 2015 Elsevier Ltd. All rights reserved.

Grapes ( Vitis vinifera) drying by semitransparent photovoltaic module (SPVM) integrated solar dryer: an experimental study

NASA Astrophysics Data System (ADS)

Tiwari, Sumit; Tiwari, G. N.

2018-06-01

In present research paper, semi-transparent photovoltaic module (SPVM) integrated greenhouse solar drying system has been used for grapes ( Vitis vinifera) drying. Based on hourly experimental information namely solar intensity, moisture evaporated, ambient air temperature, grape surface temperatures, relative humidity and greenhouse air temperature etc. heat and mass transfer coefficient for the SPVM drying system have been evaluated. It has been seen that the convective heat transfer coefficients for grapes found between 3.1-0.84 W/m2 K. Also, there is a fair agreement between theoretical and practical mass transfer (moisture evaporated) during drying of grapes with a correlation coefficient (r) and root mean square percentage deviation (e) of 0.88 and 11.56 respectively. Further, nonlinear regression procedure has been used to fit various drying models namely Henderson and Pabis model, Newton's model, and Page's model. From the analysis, it was found that Page's model is best fitted for grapes drying in SPV greenhouse as well as open sun drying. Further, net electrical energy, thermal energy and equivalent thermal energy were found to be 3.61, 17.66 and 27.15 kWh during six days of drying respectively.

Resonance energy transfer: when a dipole fails.

PubMed

Andrews, David L; Leeder, Jamie M

2009-05-14

The Coulombic coupling of electric dipole (E1) transition moments is the most commonly studied and widely operative mechanism for energy migration in multichromophore systems. However a significant number of exceptions exist, in which donor decay and/or acceptor excitation processes are E1-forbidden. The alternative transfer mechanisms that can apply in such cases include roles for higher multipole transitions, exciton- or phonon-assisted interactions, and non-Coulombic interactions based on electron exchange. A quantum electrodynamical formulation provides a rigorous basis to assess the first of these, specifically addressing the relative significance of higher multipole contributions to the process of energy transfer in donor-acceptor systems where electric dipole transitions are precluded by symmetry. Working within the near-zone limit, where donor-acceptor separations are small in comparison to the chromophore scale, the analysis highlights the contributions of both electric quadrupole-electric quadrupole (E2-E2) coupling and the seldom considered second-order electric dipole-electric dipole (E1(2)-E1(2)) coupling. For both forms of interaction, experimentally meaningful rate equations are secured by the use of orientational averaging, and the mechanisms are analyzed with reference to systems in which E1-forbidden transitions are commonly reported.

Analysis on energy transfer process of Ho3+ doped fluoroaluminate glass sensitized by Yb3+ for mid-infrared 2.85 μm emission

NASA Astrophysics Data System (ADS)

Zhou, Beier; Wei, Tao; Cai, Muzhi; Tian, Ying; Zhou, Jiajia; Deng, Degang; Xu, Shiqing; Zhang, Junjie

2014-12-01

This work reports the mid-infrared emission properties around 2.85 μm in a Yb3+/Ho3+ codoped fluoroaluminate glass. This fluoroaluminate glass shows a good thermal stability and high transmittance around 3 μm. The mid-infrared emission characteristics and energy transfer mechanism upon the excitation of the conventional 980 nm laser diode have been investigated. The prepared glass possesses higher spontaneous transition probability (31.77 s-1) along with the larger calculated emission cross section (1.91×10-20 cm2) corresponding to the laser transition of Ho3+:5I6→5I7. Besides, the upconversion, 1.2 μm and 2 μm fluorescence spectra were measured to understand mid-infrared emission behavior together with decay curves of Ho3+:5I6 level. Moreover, energy transfer microparameters between Yb3+ and Ho3+ were calculated and discussed based on Dexter's model. Hence, the advantageous spectroscopic characteristics of Yb3+/Ho3+ codoped fluoroaluminate glass as well as the good thermal property indicate that this kind of glass is an attractive host for developing mid-infrared solid state laser.

Inhibition of crossed-beam energy transfer induced by expansion-velocity fluctuations

NASA Astrophysics Data System (ADS)

Neuville, C.; Glize, K.; Loiseau, P.; Masson-Laborde, P.-E.; Debayle, A.; Casanova, M.; Baccou, C.; Labaune, C.; Depierreux, S.

2018-04-01

Crossed-beam energy transfer between three laser beams has been experimentally investigated in a flowing plasma. Time-evolution measurements of the amplification of a first beam by a second beam highlighted the inhibition of energy transfer by hydrodynamic modifications of the plasma in the crossing volume due to the propagation of a third beam. According to 3D simulations and an analytical model, it appears that the long-wavelength expansion-velocity fluctuations produced by the propagation of the third beam in the crossing volume are responsible for this mitigation of energy transfer. This effect could be a cause of the over-estimation of the amount of the transferred energy in indirect-drive inertial confinement fusion experiments. Besides, tuning such long-wavelength fluctuations could be a way to completely inhibit CBET at the laser entrance holes of hohlraums.

Surfactant-enhanced singlet energy transfer from the charge-transfer excited state of tris(2,2-bipyridine) ruthenium(II)

NASA Astrophysics Data System (ADS)

Mandal, Krishnagopal; Demas, J. N.

1981-12-01

Very efficient (45-75%) sodium lauryl sulfate (NaLS) enhanced singlet enengy transfer has been demonstrated from the spin-orbit charge-transfer excited state of [Ru(bpy) 3] 2+ (bpy = 2,2'-bipyridine) to the xxx violet, oxazine 1, and rhodamine 101 at concentrations of 10 -5 M, Energy transfer occurs in xxx.

Lunar flyby transfers between libration point orbits

NASA Astrophysics Data System (ADS)

Qi, Yi; Xu, Shijie; Qi, Rui

2017-06-01

Lunar flyby or lunar gravity assist is a classical technique to change the energy and trajectory of space vehicle in space mission. In this paper, lunar flyby transfers between Sun-Earth/Moon libration point orbits with different energies are investigated in the Sun-Earth-Moon restricted four-body problem. Distinguished by behaviours before and after lunar flyby, classification of lunar flyby orbits is defined and studied. Research indicates that junction point of special regions of four types of lunar flyby orbits denotes the perilune of lunar flyby transfer between libration point orbits. Based on those special perilunes, retrograde and prograde lunar flyby transfers are discussed in detail, respectively. The mean energy level transition distribution is proposed and applied to analyse the influence of phase angle and eccentricity on lunar flyby transfers. The phase space is divided into normal and chaotic intervals based on the topology pattern of transfers. A continuation strategy of lunar flyby transfer in the bicircular model is presented. Numerical examples show that compared with the single-impulse transfers based on patched invariant manifolds, lunar flyby transfers are more energy efficient. Finally, lunar flyby transfers are further extended to the realistic models.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Waskasi, Morteza M.; Newton, Marshall D.; Matyushov, Dmitry V.

A combination of experimental data and theoretical analysis provides evidence of a bell-shaped kinetics of electron transfer in the Arrhenius coordinates ln k vs 1/T . This kinetic law is a temperature analog of the familiar Marcus bell-shaped dependence based on ln k vs the reaction free energy. These results were obtained for reactions of intramolecular charge shift between the donor and acceptor separated by a rigid spacer studied experimentally by Miller and co-workers. The non-Arrhenius kinetic law is a direct consequence of the solvent reorganization energy and reaction driving force changing approximately as hyperbolic functions with temperature. The reorganizationmore » energy decreases and the driving force increases when temperature is increased. The point of equality between them marks the maximum of the activationless reaction rate. Reaching the consistency between the kinetic and thermodynamic experimental data requires the non-Gaussian statistics of the donor-acceptor energy gap described by the Q-model of electron transfer. Furthermore, the theoretical formalism combines the vibrational envelope of quantum vibronic transitions with the Q-model describing the classical component of the Franck-Condon factor and a microscopic solvation model of the solvent reorganization energy and the reaction free energy.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Three side-by-side lab houses were built, instrumented and monitored in an effort to determine through field testing and analysis the relative contributions of select technologies toward reducing energy use in new manufactured homes.The lab houses in Russellville, Alabama compared the performance of three homes built to varying levels of thermal integrity and HVAC equipment: a baseline HUD-code home equipped with an electric furnace and a split system air conditioner; an ENERGY STAR manufactured home with an enhanced thermal envelope and traditional split system heat pump; and a house designed to qualify for Zero Energy Ready Home designation with a ductlessmore » mini-split heat pump with transfer fan distribution system in place of the traditional duct system for distribution. Experiments were conducted in the lab houses to evaluate impact on energy and comfort of interior door position, window blind position and transfer fan operation. The report describes results of tracer gas and co-heating tests and presents calculation of the heat pump coefficient of performance for both the traditional heat pump and the ductless mini-split. A series of calibrated energy models was developed based on measured data and run in three locations in the Southeast to compare annual energy usage of the three homes.« less

Alternative definitions of the frozen energy in energy decomposition analysis of density functional theory calculations.

PubMed

Horn, Paul R; Head-Gordon, Martin

2016-02-28

In energy decomposition analysis (EDA) of intermolecular interactions calculated via density functional theory, the initial supersystem wavefunction defines the so-called "frozen energy" including contributions such as permanent electrostatics, steric repulsions, and dispersion. This work explores the consequences of the choices that must be made to define the frozen energy. The critical choice is whether the energy should be minimized subject to the constraint of fixed density. Numerical results for Ne2, (H2O)2, BH3-NH3, and ethane dissociation show that there can be a large energy lowering associated with constant density orbital relaxation. By far the most important contribution is constant density inter-fragment relaxation, corresponding to charge transfer (CT). This is unwanted in an EDA that attempts to separate CT effects, but it may be useful in other contexts such as force field development. An algorithm is presented for minimizing single determinant energies at constant density both with and without CT by employing a penalty function that approximately enforces the density constraint.

10 CFR 50.80 - Transfer of licenses.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 1 2010-01-01 2010-01-01 false Transfer of licenses. 50.80 Section 50.80 Energy NUCLEAR REGULATORY COMMISSION DOMESTIC LICENSING OF PRODUCTION AND UTILIZATION FACILITIES Transfers of Licenses-Creditors' Rights-Surrender of Licenses § 50.80 Transfer of licenses. (a) No license for a production or...

10 CFR 32.52 - Same: material transfer reports and records.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 1 2011-01-01 2011-01-01 false Same: material transfer reports and records. 32.52 Section 32.52 Energy NUCLEAR REGULATORY COMMISSION SPECIFIC DOMESTIC LICENSES TO MANUFACTURE OR TRANSFER CERTAIN ITEMS CONTAINING BYPRODUCT MATERIAL Generally Licensed Items § 32.52 Same: material transfer...

10 CFR 50.80 - Transfer of licenses.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 1 2011-01-01 2011-01-01 false Transfer of licenses. 50.80 Section 50.80 Energy NUCLEAR REGULATORY COMMISSION DOMESTIC LICENSING OF PRODUCTION AND UTILIZATION FACILITIES Transfers of Licenses-Creditors' Rights-Surrender of Licenses § 50.80 Transfer of licenses. (a) No license for a production or...

10 CFR 52.105 - Transfer of combined license.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 2 2010-01-01 2010-01-01 false Transfer of combined license. 52.105 Section 52.105 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) LICENSES, CERTIFICATIONS, AND APPROVALS FOR NUCLEAR POWER PLANTS Combined Licenses § 52.105 Transfer of combined license. A combined license may be transferred in...

10 CFR 70.42 - Transfer of special nuclear material.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 2 2010-01-01 2010-01-01 false Transfer of special nuclear material. 70.42 Section 70.42 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) DOMESTIC LICENSING OF SPECIAL NUCLEAR MATERIAL Acquisition, Use and Transfer of Special Nuclear Material, Creditors' Rights § 70.42 Transfer of special...

10 CFR 70.42 - Transfer of special nuclear material.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 2 2012-01-01 2012-01-01 false Transfer of special nuclear material. 70.42 Section 70.42 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) DOMESTIC LICENSING OF SPECIAL NUCLEAR MATERIAL Acquisition, Use and Transfer of Special Nuclear Material, Creditors' Rights § 70.42 Transfer of special...

10 CFR 70.42 - Transfer of special nuclear material.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 2 2011-01-01 2011-01-01 false Transfer of special nuclear material. 70.42 Section 70.42 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) DOMESTIC LICENSING OF SPECIAL NUCLEAR MATERIAL Acquisition, Use and Transfer of Special Nuclear Material, Creditors' Rights § 70.42 Transfer of special...

10 CFR 70.42 - Transfer of special nuclear material.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 2 2013-01-01 2013-01-01 false Transfer of special nuclear material. 70.42 Section 70.42 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) DOMESTIC LICENSING OF SPECIAL NUCLEAR MATERIAL Acquisition, Use and Transfer of Special Nuclear Material, Creditors' Rights § 70.42 Transfer of special...

10 CFR 70.42 - Transfer of special nuclear material.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 2 2014-01-01 2014-01-01 false Transfer of special nuclear material. 70.42 Section 70.42 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) DOMESTIC LICENSING OF SPECIAL NUCLEAR MATERIAL Acquisition, Use and Transfer of Special Nuclear Material, Creditors' Rights § 70.42 Transfer of special...

Boosting infrared energy transfer in 3D nanoporous gold antennas.

PubMed

Garoli, D; Calandrini, E; Bozzola, A; Ortolani, M; Cattarin, S; Barison, S; Toma, A; De Angelis, F

2017-01-05

The applications of plasmonics to energy transfer from free-space radiation to molecules are currently limited to the visible region of the electromagnetic spectrum due to the intrinsic optical properties of bulk noble metals that support strong electromagnetic field confinement only close to their plasma frequency in the visible/ultraviolet range. In this work, we show that nanoporous gold can be exploited as a plasmonic material for the mid-infrared region to obtain strong electromagnetic field confinement, co-localized with target molecules into the nanopores and resonant with their vibrational frequency. The effective optical response of the nanoporous metal enables the penetration of optical fields deep into the nanopores, where molecules can be loaded thus achieving a more efficient light-matter coupling if compared to bulk gold. In order to realize plasmonic resonators made of nanoporous gold, we develop a nanofabrication method based on polymeric templates for metal deposition and we obtain antenna arrays resonating at mid-infrared wavelengths selected by design. We then coat the antennas with a thin (3 nm) silica layer acting as the target dielectric layer for optical energy transfer. We study the strength of the light-matter coupling at the vibrational absorption frequency of silica at 1240 cm -1 through the analysis of the experimental Fano lineshape that is benchmarked against identical structures made of bulk gold. The boost in the optical energy transfer from free-space mid-infrared radiation to molecular vibrations in nanoporous 3D nanoantenna arrays can open new application routes for plasmon-enhanced physical-chemical reactions.