WorldWideScience

Sample records for atom transferring system

  1. H atom transfer of collinear OH…O system

    Institute of Scientific and Technical Information of China (English)

    WU, Tao(吴韬); CHEN, Xian-Yang(陈先阳); PENG, Jian-Bo(彭建波); JU, Guan-Zhi(居冠之); JU, Guan-Zhi(居冠之)

    2000-01-01

    A quantum mechanical calculation was performed to study the hydrogen atom transfer of collinear OH…O/OD…O system,for which Delves ' coordinates and R-matrix propagation method were applied in a Melius-Blint potential energy surface. The calculation result showed that the state-state H atom transfer probability comported strong oscillation phenomena and collision delay time of the title system was in the fs-ps time scale. The kinetic isotope effect was calculated in this work too.

  2. Population transfer by femtosecond laser pulses in a ladder-type atomic system

    Institute of Scientific and Technical Information of China (English)

    Fan Xi-Jun; Li Ai-Yun; Tong Dian-Min; Liu Cheng-Pu

    2008-01-01

    The population transfer in a ladder-type atomic system driven by linearly polarized sech-shape femtosecond laser pulses is investigated by numerically solving Schrodinger equation without including the rotating wave approximation (RWA). It is shown that population transfer is mainly determined by the Rabi frequency (strength) of the driving laser field and the chirp rate, and that the ratio of the dipole moments and the pulse width also have a prominent effect on the population transfer. By choosing appropriate values of the above parameters, complete population transfer can be realized.

  3. A NOVEL PHOTO-INITIATING SYSTEM FOR ATOM TRANSFER RADICAL POLYMERIZATION OF STYRENE

    Institute of Scientific and Technical Information of China (English)

    Shu-hui Qin; Dong-qi Qin; Kun-yuan Qiu

    2001-01-01

    A novel photo-induced initiating system, 2,2-dimethoxy-2-phenylacetophenone (DMPA)/ferric tri(N,N-diethyldithiocarbamate) [Fe(DC)3], was developed and used for the atom transfer radical polymerization (ATRP) of styrene in toluene. The polymerization proceeds with DMPA as photo-initiator, Fe(DC)3 as catalyst and DC as a reversible transfer group, while the halogen and ligands are free. Well-defined PSt was prepared and the polymerization mechanism revealed by end group analysis belongs to a reverse ATRP. Block copolymer was prepared by using thus obtained PSt as macroinitiator and Fe(DC)2 as catalyst under UV light irradiation via a conventional ATRP process.``

  4. Robust entanglement between a movable mirror and atomic ensemble and entanglement transfer in coupled optomechanical system

    Science.gov (United States)

    Bai, Cheng-Hua; Wang, Dong-Yang; Wang, Hong-Fu; Zhu, Ai-Dong; Zhang, Shou

    2016-09-01

    We propose a scheme for the creation of robust entanglement between a movable mirror and atomic ensemble at the macroscopic level in coupled optomechanical system. We numerically simulate the degree of entanglement of the bipartite macroscopic entanglement and show that it depends on the coupling strength between the cavities and is robust with respect to the certain environment temperature. Inspiringly and surprisingly, according to the reported relation between the mechanical damping rate and the mechanical frequency of the movable mirror, the numerical simulation result shows that such bipartite macroscopic entanglement persists for environment temperature up to 170 K, which breaks the liquid nitrogen cooling and liquid helium cooling and largely lowers down the experiment cost. We also investigate the entanglement transfer based on this coupled system. The scheme can be used for the realization of quantum memories for continuous variable quantum information processing and quantum-limited displacement measurements.

  5. Robust entanglement between a movable mirror and atomic ensemble and entanglement transfer in coupled optomechanical system.

    Science.gov (United States)

    Bai, Cheng-Hua; Wang, Dong-Yang; Wang, Hong-Fu; Zhu, Ai-Dong; Zhang, Shou

    2016-09-14

    We propose a scheme for the creation of robust entanglement between a movable mirror and atomic ensemble at the macroscopic level in coupled optomechanical system. We numerically simulate the degree of entanglement of the bipartite macroscopic entanglement and show that it depends on the coupling strength between the cavities and is robust with respect to the certain environment temperature. Inspiringly and surprisingly, according to the reported relation between the mechanical damping rate and the mechanical frequency of the movable mirror, the numerical simulation result shows that such bipartite macroscopic entanglement persists for environment temperature up to 170 K, which breaks the liquid nitrogen cooling and liquid helium cooling and largely lowers down the experiment cost. We also investigate the entanglement transfer based on this coupled system. The scheme can be used for the realization of quantum memories for continuous variable quantum information processing and quantum-limited displacement measurements.

  6. Synthesis of End Functional Polymers via Atom Transfer Radical Polymerization in Immobilized Catalytic System

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Cross-linked polystyrene with azo-crown ether functional side chain (PSt-1, 10-dicarbonyl-3,6,9-trizaocylcodecane) was prepared under microwave irradiation and the structure was characterized through FT-IR and element analysis. The functionalized cross-linked polystyrene (cross-link degree, 3.5%) combining with immobilized catalyst system (CuBr and ethyl α-bromo-isobutyrate) can catalyze atom transfer radical polymerization of Styrene. Neat polymer products can be obtained then. Complex of La and the polymer end group (EBiB) was synthesized. The third order nonlinear optical property of the polymer-La complex was investigated and the structure was also characterized by FT-IR and XPS.

  7. Efficient transfer of francium atoms

    Science.gov (United States)

    Aubin, Seth; Behr, John; Gorelov, Alexander; Pearson, Matt; Tandecki, Michael; Collister, Robert; Gwinner, Gerald; Shiells, Kyle; Gomez, Eduardo; Orozco, Luis; Zhang, Jiehang; Zhao, Yanting; FrPNC Collaboration

    2016-05-01

    We report on the progress of the FrPNC collaboration towards Parity Non Conservation Measurements (PNC) using francium atoms at the TRIUMF accelerator. We demonstrate efficient transfer (higher than 40%) to the science vacuum chamber where the PNC measurements will be performed. The transfer uses a downward resonant push beam from the high-efficiency capture magneto optical trap (MOT) towards the science chamber where the atoms are recaptured in a second MOT. The transfer is very robust with respect to variations in the parameters (laser power, detuning, alignment, etc.). We accumulate a growing number of atoms at each transfer pulse (limited by the lifetime of the MOT) since the push beam does not eliminate the atoms already trapped in the science MOT. The number of atoms in the science MOT is on track to meet the requirements for competitive PNC measurements when high francium rates (previously demonstrated) are delivered to our apparatus. The catcher/neutralizer for the ion beam has been tested reliably to 100,000 heating/motion cycles. We present initial tests on the direct microwave excitation of the ground hyperfine transition at 45 GHz. Support from NSERC and NRC from Canada, NSF and Fulbright from USA, and CONACYT from Mexico.

  8. Diffusion-regulated phase-transfer catalysis for atom transfer radical polymerization of methyl methacrylate in an aqueous/organic biphasic system.

    Science.gov (United States)

    Ding, Mingqiang; Jiang, Xiaowu; Peng, Jinying; Zhang, Lifen; Cheng, Zhenping; Zhu, Xiulin

    2015-03-01

    A concept based on diffusion-regulated phase-transfer catalysis (DRPTC) in an aqueous-organic biphasic system with copper-mediated initiators for continuous activator regeneration is successfully developed for atom transfer radical polymerization (ICAR ATRP) (termed DRPTC-based ICAR ATRP here), using methyl methacrylate (MMA) as a model monomer, ethyl α-bromophenylacetate (EBrPA) as an initiator, and tris(2-pyridylmethyl)amine (TPMA) as a ligand. In this system, the monomer and initiating species in toluene (organic phase) and the catalyst complexes in water (aqueous phase) are simply mixed under stirring at room temperature. The trace catalyst complexes transfer into the organic phase via diffusion to trigger ICAR ATRP of MMA with ppm level catalyst content once the system is heated to the polymerization temperature (75 °C). It is found that well-defined PMMA with controlled molecular weights and narrow molecular weight distributions can be obtained easily. Furthermore, the polymerization can be conducted in the presence of limited amounts of air without using tedious degassed procedures. After cooling to room temperature, the upper organic phase is decanted and the lower aqueous phase is reused for another 10 recycling turnovers with ultra low loss of catalyst and ligand loading. At the same time, all the recycled catalyst complexes retain nearly perfect catalytic activity and controllability, indicating a facile and economical strategy for catalyst removal and recycling.

  9. Robust population transfer in atomic beams induced by Doppler shifts

    Science.gov (United States)

    Unanyan, R. G.

    2016-10-01

    The influence of photon momentum recoil on adiabatic population transfer in an atomic three-level lambda system is studied. It is shown that the Doppler frequency shifts, due to atomic motion, can play an important role in adiabatic population transfer processes of atomic internal states by a pair of laser fields. For the limiting case of slow atoms (Doppler shift much smaller than the photon recoil energy), the atoms occupy the same target state regardless of the order of switching of laser fields, while for the case of fast atoms interacting with the intuitive sequence of pulses, the target state is the intermediate atomic state. Furthermore, it is shown that this novel technique for adiabatic population transfer is related to a level crossing in the bright-intermediate state basis (rather than in the original atomic basis). It is shown that these processes are robust with respect to parameter fluctuations, such as the laser pulse area and the relative spatial offset (delay) of the laser beams. The obtained results can be used for the control of temporal evolution of atomic populations in cold atomic beams by externally adjustable Doppler shifts.

  10. Transferable basis sets of numerical atomic orbitals

    NARCIS (Netherlands)

    M.J. Louwerse; G. Rothenberg

    2012-01-01

    We show that numerical atomic orbital basis sets that are variationally optimized for specific compounds are biased and not fully transferable to other compounds. The situation improves when the basis sets are optimized for several compounds and a compromise is made. We demonstrate this for basis se

  11. Entanglement transfer between bipartite systems

    CERN Document Server

    Bougouffa, Smail

    2011-01-01

    The problem of a controlled transfer of an entanglement initially encoded into two two-level atoms that are successively sent through two single-mode cavities is investigated. The atoms and the cavity modes form a four qubit system and we demonstrate under which conditions the initial entanglement encoded into the atoms can be completely transferred to other pairs of qubits. We find that in the case of a nonzero detuning between the atomic transition frequencies and the cavity mode frequencies, no complete transfer of the initial entanglement is possible to any of the other pairs of qubits. In the case of exact resonance and equal coupling strengths of the atoms to the cavity modes, an initial maximally entangled state of the atoms can be completely transferred to the cavity modes. The complete transfer of the entanglement is restricted to the cavity modes only with the transfer to the other pairs being limited to up to 50%. We have found that the complete transfer of an initial entanglement to other pairs of...

  12. Reverse Atom Transfer Radical Polymerization of (-)-Menthyl Methacrylate

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    The reverse atom transfer radical polymerization(RATRP) of (-)-menthyl methacrylate ((-)-MnMA) with AIBN(AIBN/CuCl2/bipyridine(bipy) or (-)sparteine((-)Sp) =1/2/4) initiating system in THF has been studied. The dependence of the specific rotation on molecular weight was investigated.

  13. Correlated energy transfer between two ultracold atomic species

    Science.gov (United States)

    Krönke, Sven; Knörzer, Johannes; Schmelcher, Peter

    2015-05-01

    We study a single atom as an open quantum system, which is initially prepared in a coherent state of low energy and oscillates in a one-dimensional harmonic trap through an interacting ensemble of NA bosons, held in a displaced trap [arXiv:1410.8676]. The non-equilibrium quantum dynamics of the total system is simulated by means of an ab-initio method, giving us access to all properties of the open system and its finite environment. In this talk, we focus on unraveling the interplay of energy exchange and correlations between the subsystems, which are coupled in such a spatio-temporally localized manner. We show that an inter-species interaction-induced level splitting accelerates the energy transfer between the atomic species for larger NA, which becomes less complete at the same time. System-environment correlations prove to be significant except for times when the excess energy distribution among the subsystems is highly imbalanced. These correlations result in incoherent energy transfer processes, which accelerate the early energy donation of the single atom. By analyzing correlations between intra-subsystem excitations, certain energy transfer channels are shown to be (dis-)favored depending on the instantaneous direction of transfer.

  14. Population transfer via adiabatic passage in the Rydberg potassium atom

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Using the time-dependent multilevel approach, we have calculated the coherent population transfer between the quantum states of potassium atom by a single frequency-chirped laser pulse. The result shows that a pair of sequential 'broadband' frequency-chirped laser pulses can efficiently transfer population from the initial state of the ladder system to the target state. It is also found that the population can be efficiently transferred to a target state and trapped there by using an 'intuitive' or a 'counterintuitive' frequency sweep laser pulse in the case of 'narrowband' frequency-chirped laser pulse. Our research shows that the complete population transfer is related to the pulse duration, chirp rate, and amplitude of the laser pulse.

  15. Soliton Atom Laser with Quantum State Transfer Property

    Institute of Scientific and Technical Information of China (English)

    LIU Xiong-Jun; JING Hui; GE Mo-Lin

    2006-01-01

    @@ We study the nonlinear effects in the quantum states transfer technique from photons to matter waves in the three-level case, which may provide the formation of a soliton atom laser with nonclassical atoms. The validity of quantum transfer mechanism is confirmed in the presence of the intrinsic nonlinear atomic interactions. The accompanied frequency chirp effect is shown to have no influence on the grey solitons formed by the output atom laser and the possible quantum depletion effect is also briefly discussed.

  16. Imaging population transfer in atoms with ultrafast electron pulses

    Science.gov (United States)

    Shao, Hua-Chieh; Starace, Anthony F.

    2016-05-01

    Ultrafast electron diffraction and microscopy have made significant progress recently in investigating atomic-scale structural dynamics in gas-phase and condensed materials. With these advances, direct imaging of electronic motions in atoms and molecules by ultrafast electron diffraction is anticipated. We propose imaging a laser-driven coherent population transfer in lithium atoms by femtosecond ultrafast electron pulses. Valuable information and insight can be obtained from studying such a system in order to refine ultrafast electron techniques and to interpret experimental results. Adiabatic passage by level crossing is used to transfer the electron population from the 2 s to the 2 p state. Our simulations demonstrate the ability of ultrafast electron diffraction to image this population transfer, as the time-dependent diffraction images reflect the electronic motion in the scattering intensity and angular distribution. Furthermore, asymmetric diffraction patterns indicate that even the relative phases of the electronic wave function can be resolved, provided there is sufficient temporal resolution. This work has been supported in part by DOE Award No. DE-SC0012193 [H.-C.S.] and by NSF Grant No. PHYS-1505492 [A.F.S.].

  17. Wireless power transfer system

    OpenAIRE

    Arai, Hiroyuki

    2012-01-01

    This paper presents a survey of recent wireless power transfer systems. The issue of wireless power transfer is to achieve a highly efficient system with small positioning errors of the facilities setting. Several theories have been presented to obtain precise system design. This paper presents a summary of design theory for short range power transfer systems and detailed formulations based on a circuit model and an array of infinitesimal dipoles. In addition to these theories, this paper in...

  18. Energy transfer among distant quantum systems in spatially shaped laser fields: Two H atoms with the internuclear separation of 5.29 nm (100 a.u.)

    CERN Document Server

    Paramonov, Guennaddi K; Bandrauk, Andre D

    2010-01-01

    The quantum dynamics of two distant H atoms excited by ultrashort and spatially shaped laser pulses is studied by the numerical solution of the non-Born-Oppenheimer time-dependent Schr\\"odinger equation within a three-dimensional (3D) model, including the internuclear distance R and the two z coordinates of the electrons, z1 and z2. The two 1D hydrogen atoms, A and B, are assumed to be initially in their ground states with a large (but otherwise arbitrary) internuclear separation of R = 100 a.u. (5.29 nm). Two types of a spatial envelope of a laser field linearly po- larized along the z-axis are considered: (i) a broad Gaussian envelope, such that atom A is excited by the laser field predominantly, and (ii) a narrow envelope, such that practically only atom A is excited by the laser field. With the laser carrier frequency {\\omega} = 1.0 a.u. and the pulse duration tp = 5 fs, in both cases an efficient energy transfer from atom A to atom B has been found. The ionization of atom B achieved mostly after the end ...

  19. Continuously transferring cold atoms in caesium double magneto-optical trap

    Institute of Scientific and Technical Information of China (English)

    Yan Shu-Bin; Geng Tao; Zhang Tian-Cai; Wang Jun-Min

    2006-01-01

    We have established a caesium double magneto-optical trap (MOT) system for cavity-QED experiment, and demonstrated the continuous transfer of cold caesium atoms from the vapour-cell MOT with a pressure of ~ 1 × 10-6 Pa to the ultra-high-vacuum (UHV) MOT with a pressure of ~ 8 × 10-8 Pa via a focused continuous-wave transfer laser beam. The effect of frequency detuning as well as the intensity of the transfer beam is systematically investigated, which makes the transverse cooling adequate before the atoms leak out of the vapour-cell MOT to reduce divergence of the cold atomic beam. The typical cold atomic flux got from vapour-cell MOT is ~ 2 × 107 atoms/s. About 5 × 106 caesium atoms are recaptured in the UHV MOT.

  20. [Electron transfer, ionization, and excitation in atomic collisions]. Progress report

    Energy Technology Data Exchange (ETDEWEB)

    1992-12-31

    Fundamental processes of electron transfer, ionization, and excitation in ion-atom and ion-ion collisions are studied. Attention is focussed on one- and two-electron systems and, more recently, quasi-one-electron systems whose electron-target-ion core can be accurately modeled by one-electron potentials. The basic computational approaches can then be taken with few, if any, approximations, and the underlying collisional mechanisms can be more clearly revealed. At intermediate collision energies (e.g., proton energies for p-He{sup +} collisions on the order of 100 kilo-electron volts), many electronic states are strongly coupled during the collision, a coupled-state approach, such as a coupled-Sturmian-pseudostate approach, is appropriate. At higher collision energies (million electron-volt energies) the coupling is weaker with, however, many more states being coupled together, so that high-order perturbation theory is essential.

  1. Ion-atom hybrid systems

    CERN Document Server

    Willitsch, Stefan

    2014-01-01

    The study of interactions between simultaneously trapped cold ions and atoms has emerged as a new research direction in recent years. The development of ion-atom hybrid experiments has paved the way for investigating elastic, inelastic and reactive collisions between these species at very low temperatures, for exploring new cooling mechanisms of ions by atoms and for implementing new hybrid quantum systems. The present lecture reviews experimental methods, recent results and upcoming developments in this emerging field.

  2. Electron transfer, ionization, and excitation in atomic collisions

    Energy Technology Data Exchange (ETDEWEB)

    Winter, T.G.; Alston, S.G.

    1992-01-01

    The research being carried out at Penn State by Winter and Alston addresses the fundamental processes of electron transfer, ionization, and excitation in ion-atom (and ion-ion) collisions. The focus is on intermediate- and higher-energy collisions, corresponding to proton energies of about 25 kilo-electron-volts (keV) or larger. At intermediate energies, where the transition probabilities are not small, many states must be coupled in a large calculation, while at higher energies, perturbative approaches may be used. Several studies have been carried out in the current three-year period; most of these treat systems with only one or two electrons, so that fewer approximations need be made and the basic collisional mechanisms can be more clearly described.

  3. Efficient scheme for entangled states and quantum information transfer with trapped atoms in a resonator

    Institute of Scientific and Technical Information of China (English)

    Li Peng-Bo; Li Fu-Li

    2011-01-01

    A protocol is proposed to generate atomic entangled states and implement quantum information transfer in a cavity quantum electrodynamics system. It utilizes Raman transitions or stimulated Raman adiabatic passages between two systems to entangle the ground states of two three-state A-type atoms trapped in a single mode cavity. It does not need the measurements on cavity field nor atomic detection and can be implemented in a deterministic fashion. Since the present protocol is insensitive to both cavity decay and atomic spontaneous emission,it may have some interesting applications in quantum information processing.

  4. Tape transfer atomization patterning of liquid alloys for microfluidic stretchable wireless power transfer.

    Science.gov (United States)

    Jeong, Seung Hee; Hjort, Klas; Wu, Zhigang

    2015-02-12

    Stretchable electronics offers unsurpassed mechanical compliance on complex or soft surfaces like the human skin and organs. To fully exploit this great advantage, an autonomous system with a self-powered energy source has been sought for. Here, we present a new technology to pattern liquid alloys on soft substrates, targeting at fabrication of a hybrid-integrated power source in microfluidic stretchable electronics. By atomized spraying of a liquid alloy onto a soft surface with a tape transferred adhesive mask, a universal fabrication process is provided for high quality patterns of liquid conductors in a meter scale. With the developed multilayer fabrication technique, a microfluidic stretchable wireless power transfer device with an integrated LED was demonstrated, which could survive cycling between 0% and 25% strain over 1,000 times.

  5. Living atom transfer radical polymerization of 4-acetoxystyrene

    DEFF Research Database (Denmark)

    Gao, Bo; Chen, Xianyi; Ivan, Bela

    1997-01-01

    Living atom transfer radical polymerization (ATRP) of 4-acetoxystyrene (1), a protected 4-vinylphenol, leading to poly(4-acetoxystyrene) with well-defined molecular weight and narrow molecular weight distribution was carried out in bulk with a,a'-dibromoxylene(2)/CuBr/2,2-bipyridine(bpy) as initi......Living atom transfer radical polymerization (ATRP) of 4-acetoxystyrene (1), a protected 4-vinylphenol, leading to poly(4-acetoxystyrene) with well-defined molecular weight and narrow molecular weight distribution was carried out in bulk with a,a'-dibromoxylene(2)/CuBr/2,2-bipyridine...

  6. Nonradiative charge transfer in collisions of protons with rubidium atoms

    Institute of Scientific and Technical Information of China (English)

    Yan Ling-Ling; Qu Yi-Zhi; Liu Chun-Hua; Zhang Yu; Wang Jian-Guo; Buenker Robert J

    2012-01-01

    The nonradiative charge-transfer cross sections for protons colliding with Rb(5s) atoms are calculated by using the quantum-mechanical molecularorbital close-coupling method in an energy range of 10-3 keV 10 keV.The total and state-selective charge-transfer cross sections are in good agreement with the experimental data in the relatively low energy region.The importance of rotational coupling for chargetransfer process is stressed.Compared with the radiative charge-transfer process,nonradiative charge transfer is a dominant mechanism at energies above 15 eV.The resonance structures of state-selective charge-transfer cross sections arising from the competition among channels are analysed in detail.The radiative and nonradiative charge-transfer rate coefficients from low to high temperature are presented.

  7. The pentafluorostyrene endeavours with atom transfer radical polymerization - quo vadis?

    DEFF Research Database (Denmark)

    Hvilsted, Søren

    2014-01-01

    The versatility of the atom transfer radical polymerization (ATRP) of pentafluorostyrene (FS) is comprehensively evaluated. The ATRP of a wide range of monomers derived from FS is likewise discussed with emphasis on the potential polymer applications. A large number of block and star copolymers...

  8. Synthesis of Amphiphilic Copolymwers by Atom Transfer Radical Polymerization

    DEFF Research Database (Denmark)

    Hansen, Natanya Majbritt Louie

    2007-01-01

    atom transfer radikal polymerisation (ATRP) blev anvendt til alle polymerisationerne. De reaktionskinetiske forhold samt de opnåelige materialestrukturer viste, at næsten alle anvendte monomer-kombinationer kan håndteres til fremstilling af fluorholdige polymermaterialer med velkontrolleret struktur...

  9. Wireless power transfer system

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Hunter; Sealy, Kylee; Gilchrist, Aaron

    2016-02-23

    A system includes a first stage of an inductive power transfer system with an LCL load resonant converter with a switching section, an LCL tuning circuit, and a primary receiver pad. The IPT system includes a second stage with a secondary receiver pad, a secondary resonant circuit, a secondary rectification circuit, and a secondary decoupling converter. The secondary receiver pad connects to the secondary resonant circuit. The secondary resonant circuit connects to the secondary rectification circuit. The secondary rectification circuit connects to the secondary decoupling converter. The second stage connects to a load. The load includes an energy storage element. The second stage and load are located on a vehicle and the first stage is located at a fixed location. The primary receiver pad wirelessly transfers power to the secondary receiver pad across a gap when the vehicle positions the secondary receiver pad with respect to the primary receiver pad.

  10. Effect of atomic transfer on the decay of a Bose-Einstein condensate

    CERN Document Server

    Zin, P; Charzynski, S; Herschbach, N; Tol, P; Hogervorst, W; Vassen, W; Zin, Pawel; Dragan, Andrzej; Charzynski, Szymon; Herschbach, Norbert; Tol, Paul; Hogervorst, Wim; Vassen, Wim

    2003-01-01

    We present a model describing the decay of a Bose-Einstein condensate, which assumes the system to remain in thermal equilibrium during the decay. We show that under this assumption transfer of atoms occurs from the condensate to the thermal cloud enhancing the condensate decay rate.

  11. Acrylamide Homopolymers and Acrylamide-N-Isopropylacrylamide Block Copolymers by Atomic Transfer Radical Polymerization in Water

    NARCIS (Netherlands)

    Wever, D. A. Z.; Raffa, P.; Picchioni, F.; Broekhuis, A. A.

    2012-01-01

    Atomic transfer radical polymerization (ATRP) of acrylamide has been accomplished in aqueous media at room temperature. By using methyl 2-chloropropionate (MeClPr) as the initiator and tris[2-(dimethylamino)ethyl]-amine (Me6TREN)/copper halogenide (CuX) as the catalyst system, different linear polya

  12. Novel Polymers Based on Atom Transfer Radical Polymerization of 2-Methoxyethyl Acrylate

    DEFF Research Database (Denmark)

    Bednarek, Melania; Jankova Atanasova, Katja; Hvilsted, Søren

    2007-01-01

    Atom transfer radical polymerization (ATRP) has been employed in the polymerization of 2-methoxyethyl acrylate (MEA) initiated by ethyl 2-bromoisobutyrate in bulk or in toluene solution at 90– 95 C with the catalytic systems Cu(I)Br/PMDETA or HMTETA. Kinetics investigations revealed that ATRP...

  13. Study on three level system population transfer

    Institute of Scientific and Technical Information of China (English)

    Shan Yang(杨山); Ye Kuang(旷冶)

    2003-01-01

    Stimulated-Raman-adiabatic-passage (STIRAP) process provides an effective technique to transfer electronpopulation from an initial state (e.g. ground state) to excited final state for both atoms and molecules. Inthis paper, we present the results of the study on electron population transfer in three level system. Wehave analyzed the effects of various conditions on the transfer process, such as the time delay of the twolaser beams, two-photon off-resonance, one-photon off-resonance and the change of relative laser intensity.The numerical result is compared with experiment, and the reasons for the effects are also given.

  14. Atomic capture and transfer of negative pions stopped in binary mixtures of hydrogen with polyatomic gases

    Energy Technology Data Exchange (ETDEWEB)

    Vasilyev, V.A.; Levay, B.; Minkova, A.; Petrukhin, V.I.; Horvath, D.

    1985-12-01

    The atomic capture and transfer of stopped negative pions have been studied in binary gas mixtures of H/sub 2/+M, where M is CCl/sub 2/F/sub 2/, CClF/sub 3/, CBrF/sub 3/ or SF/sub 6/. The ..pi../sup 0/ yield, versus relative atomic concentration Csub(A) of M, goes through a maximum at Csub(A)proportional0.1 and levels off at zero at high concentrations. This phenomenon together with other observed characteristics of the atomic capture and transfer of pions in these systems is interpreted in the frame of a phenomenological model. The average transfer coefficients anti ..lambda..sub(Z) exhibit a weak concentration dependence. The estimated average atomic capture ratios anti A(Z/H) are lower than those found for noble gases, probably because of the mutual screening of the constituent atoms in the molecules. The probability of pion capture in an atomic orbit is not proportional to the stopping power of the components of the mixture. (orig.).

  15. Excitation and charge transfer in low-energy hydrogen atom collisions with neutral atoms: Theory, comparisons, and application to Ca

    CERN Document Server

    Barklem, Paul S

    2016-01-01

    A theoretical method for the estimation of cross sections and rates for excitation and charge transfer processes in low-energy hydrogen atom collisions with neutral atoms, based on an asymptotic two-electron model of ionic-covalent interactions in the neutral atom-hydrogen atom system, is presented. The calculation of potentials and non-adiabatic radial couplings using the method is demonstrated. The potentials are used together with the multi-channel Landau-Zener model to calculate cross sections and rate coefficients. The main feature of the method is that it employs asymptotically exact atomic wavefunctions, which can be determined from known atomic parameters. The method is applied to Li+H, Na+H, and Mg+H collisions, and the results compare well with existing detailed full-quantum calculations. The method is applied to the astrophysically important problem of Ca+H collisions, and rate coefficients are calculated for temperatures in the range 1000-20000 K.

  16. Muon transfer from muonic hydrogen to heavier atoms; Transfert de charge muonique

    Energy Technology Data Exchange (ETDEWEB)

    Dupays, A

    2004-06-01

    This work concerns muon transfer from muonic hydrogen to heavier atoms. Recently, a method of measurement of the hyperfine structure of ground-state muonic hydrogen based on the collision energy dependence of the muon transfer rate to oxygen has been proposed. This proposal is based on measurements which where performed at the Paul Scherrer Institute in the early nineties which indicate that the muon transfer from muonic hydrogen to oxygen increases by a factor of 4 going from thermal to 0.12 eV energies. The motivation of our calculations was to confirm this behaviour. To study the collision energy dependence of the muon transfer rate, we have used a time-independent close-coupling method. We have set up an hyperspherical elliptic formalism valid for nonzero total angular momentum which allows accurate computations of state-to-state reactive and charge exchange processes. We have applied this formalism to muon-transfer process to oxygen and neon. The comparison with experimental results is in both cases excellent. Finally, the neon transfer rate dependence with energy suggests to use neon instead of oxygen to perform a measurement of the hyperfine structure of muonic hydrogen. The results of accurate calculations of the muon transfer rates from muonic protium and deuterium atoms to nitrogen, oxygen and neon are also reported. Very good agreement with measured rates is obtained and for the three systems, the isotopic effect is perfectly reproduced. (author)

  17. Heat Transfer Parametric System Identification

    Science.gov (United States)

    1993-06-01

    Transfer Parametric System Identification 6. AUTHOR(S Parker, Gregory K. 7. PERFORMING ORGANIZATION NAME(S) AND AOORESS(ES) 8. PERFORMING ORGANIZATION...distribution is unlimited. Heat Transfer Parametric System Identification by Gregory K. Parker Lieutenant, United States Navy BS., DeVry Institute of...Modeling Concept ........ ........... 3 2. Lumped Parameter Approach ...... ......... 4 3. Parametric System Identification ....... 4 B. BASIC MODELING

  18. Alkane desaturation by concerted double hydrogen atom transfer to benzyne.

    Science.gov (United States)

    Niu, Dawen; Willoughby, Patrick H; Woods, Brian P; Baire, Beeraiah; Hoye, Thomas R

    2013-09-26

    The removal of two vicinal hydrogen atoms from an alkane to produce an alkene is a challenge for synthetic chemists. In nature, desaturases and acetylenases are adept at achieving this essential oxidative functionalization reaction, for example during the biosynthesis of unsaturated fatty acids, eicosanoids, gibberellins and carotenoids. Alkane-to-alkene conversion almost always involves one or more chemical intermediates in a multistep reaction pathway; these may be either isolable species (such as alcohols or alkyl halides) or reactive intermediates (such as carbocations, alkyl radicals, or σ-alkyl-metal species). Here we report a desaturation reaction of simple, unactivated alkanes that is mechanistically unique. We show that benzynes are capable of the concerted removal of two vicinal hydrogen atoms from a hydrocarbon. The discovery of this exothermic, net redox process was enabled by the simple thermal generation of reactive benzyne intermediates through the hexadehydro-Diels-Alder cycloisomerization reaction of triyne substrates. We are not aware of any single-step, bimolecular reaction in which two hydrogen atoms are simultaneously transferred from a saturated alkane. Computational studies indicate a preferred geometry with eclipsed vicinal C-H bonds in the alkane donor.

  19. Local group modes and the dynamics of intramolecular energy transfer across a heavy atom

    OpenAIRE

    Lopez, Vicente; Fairen, Victor; Lederman, Steven M.; Marcus, R.A

    1986-01-01

    The dynamics of energy transfer is discussed for a model system in which two ligands are separated by a heavy atom. Numerical and analytical results are given for the case that each ligand is a CC. In the quasiperiodic regime, the dynamics are interpreted using perturbation theory. Local group modes involved in an intramolecular energy localization which can occur in this regime are identified. An approximate separation of the primarily ligand–ligand motions from the primarily ligand–metal–li...

  20. Temperature-dependent kinetics of charge transfer, hydrogen-atom transfer, and hydrogen-atom expulsion in the reaction of CO+ with CH4 and CD4.

    Science.gov (United States)

    Melko, Joshua J; Ard, Shaun G; Johnson, Ryan S; Shuman, Nicholas S; Guo, Hua; Viggiano, Albert A

    2014-09-18

    We have determined the rate constants and branching ratios for the reactions of CO(+) with CH4 and CD4 in a variable-temperature selected ion flow tube. We find that the rate constants are collisional for all temperatures measured (193-700 K for CH4 and 193-500 K for CD4). For the CH4 reaction, three product channels are identified, which include charge transfer (CH4(+) + CO), H-atom transfer (HCO(+) + CH3), and H-atom expulsion (CH3CO(+) + H). H-atom transfer is slightly preferred to charge transfer at low temperature, with the charge-transfer product increasing in contribution as the temperature is increased (H-atom expulsion is a minor product for all temperatures). Analogous products are identified for the CD4 reaction. Density functional calculations on the CO(+) + CH4 reaction were also conducted, revealing that the relative temperature dependences of the charge-transfer and H-atom transfer pathways are consistent with an initial charge transfer followed by proton transfer.

  1. CANISTER TRANSFER SYSTEM DESCRIPTION DOCUMENT

    Energy Technology Data Exchange (ETDEWEB)

    B. Gorpani

    2000-06-23

    The Canister Transfer System receives transportation casks containing large and small disposable canisters, unloads the canisters from the casks, stores the canisters as required, loads them into disposal containers (DCs), and prepares the empty casks for re-shipment. Cask unloading begins with cask inspection, sampling, and lid bolt removal operations. The cask lids are removed and the canisters are unloaded. Small canisters are loaded directly into a DC, or are stored until enough canisters are available to fill a DC. Large canisters are loaded directly into a DC. Transportation casks and related components are decontaminated as required, and empty casks are prepared for re-shipment. One independent, remotely operated canister transfer line is provided in the Waste Handling Building System. The canister transfer line consists of a Cask Transport System, Cask Preparation System, Canister Handling System, Disposal Container Transport System, an off-normal canister handling cell with a transfer tunnel connecting the two cells, and Control and Tracking System. The Canister Transfer System operating sequence begins with moving transportation casks to the cask preparation area with the Cask Transport System. The Cask Preparation System prepares the cask for unloading and consists of cask preparation manipulator, cask inspection and sampling equipment, and decontamination equipment. The Canister Handling System unloads the canister(s) and places them into a DC. Handling equipment consists of a bridge crane hoist, DC loading manipulator, lifting fixtures, and small canister staging racks. Once the cask has been unloaded, the Cask Preparation System decontaminates the cask exterior and returns it to the Carrier/Cask Handling System via the Cask Transport System. After the DC is fully loaded, the Disposal Container Transport System moves the DC to the Disposal Container Handling System for welding. To handle off-normal canisters, a separate off-normal canister handling

  2. Progress of Atom Transfer Radical Polymerization in Aqueous Dispersion Systems%水分散体系中原子转移自由基聚合研究进展

    Institute of Scientific and Technical Information of China (English)

    王思瑶; 雷良才; 张俊; 郭磊; 李海英

    2011-01-01

    In aqueous dispersion system, atom transfer radical polymerization (ATRP) has the advantages of free radical process, emulsion polymerization and controlled/living polymerization.So in recent years,development of ATRP in aqueous dispersion system has received more attention.In this paper, recent developments of ATRP in aqueous dispersion system, such as emulsion, miniemulsion, microemulsion, have been introduced.Several mechanism for ATRP in aqueous dispersion system have been summarized, including normal ATRP, reverse ATRP.SR&NI (simultaneous reverse and normal initiation)ATRP and AGET (activator generated by electron transfer) ATRP.Advantages and disadvantages of ATRP, RATRP, SR&NI ATRP, AGET ATRP have been summarized.%水分散体系中原子转移自由基聚合(ATRP)具有自由基聚合、乳液聚合和活性/可控聚合的优点,因此近年来关于水分散体系中ATRP的研究日益增多.本文综述了近年来水分散体系(包括乳液体系、细乳液体系、微乳液体系)中原子转移自由基聚合的研究进展,对应用在水分散体系中的几种ATRP反应机理做了简要介绍,包括正向AT-RP、反向ATRP(RATRP)、正向/反向同时进行的(SR&NI)ATRP、电子转移活化剂(AGET)ATRP,并对RATRP、SR&NI、ATRPAGET ATRP的优缺点进行了总结.

  3. Cu(II)-mediated atom transfer radical polymerization of methyl methacrylate via a strategy of thermo-regulated phase-separable catalysis in a liquid/liquid biphasic system: homogeneous catalysis, facile heterogeneous separation, and recycling.

    Science.gov (United States)

    Pan, Jinlong; Zhang, Bingjie; Jiang, Xiaowu; Zhang, Lifen; Cheng, Zhenping; Zhu, Xiulin

    2014-09-01

    A strategy of thermo-regulated phase-separable catalysis (TPSC) is applied to the Cu(II)-mediated atom transfer radical polymerization (ATRP) of methyl methacrylate (MMA) in a p-xylene/PEG-200 biphasic system. Initiators for continuous activator regeneration ATRP (ICAR ATRP) are used to establish the TPSC-based ICAR ATRP system using water-soluble TPMA as a ligand, EBPA as an initiator, CuBr2 as a catalyst, and AIBN as a reducing agent. By heating to 70 °C, unlimited miscibility of both solvents is achieved and the polymerization can be carried out under homogeneous conditions; then on cooling to 25 °C, the mixture separates into two phases again. As a result, the catalyst complex remains in the PEG-200 phase while the obtained polymers stay in the p-xylene phase. The catalyst can therefore be removed from the resultant polymers by easily separating the two different layers and can be reused again. It is important that well-defined PMMA with a controlled molecular weight and narrow molecular weight distribution could be obtained using this TPSC-based ICAR ATRP system.

  4. Tunable self-assembled spin chains of strongly interacting cold atoms for demonstration of reliable quantum state transfer

    DEFF Research Database (Denmark)

    Loft, N. J. S.; Marchukov, O. V.; Petrosyan, D.;

    2016-01-01

    We have developed an efficient computational method to treat long, one-dimensional systems of strongly-interacting atoms forming self-assembled spin chains. Such systems can be used to realize many spin chain model Hamiltonians tunable by the external confining potential. As a concrete demonstrat...... demonstration, we consider quantum state transfer in a Heisenberg spin chain and we show how to determine the confining potential in order to obtain nearly-perfect state transfer....

  5. Pickering emulsion templated interfacial atom transfer radical polymerization for microencapsulation.

    Science.gov (United States)

    Li, Jian; Hitchcock, Adam P; Stöver, Harald D H

    2010-12-01

    This Article describes a new microencapsulation method based on a Pickering emulsion templated interfacial atom transfer radical polymerization (PETI-ATRP). Cationic LUDOX CL nanoparticles were coated electrostatically with an anionic polymeric ATRP initiator, poly(sodium styrene sulfonate-co-2-(2-bromoisobutyryloxy)ethyl methacrylate) (PSB), prepared by radical copolymerization of sodium styrene sulfonate and 2-(2-bromoisobutyryloxy)ethyl methacrylate (BIEM). The resulting PSB-modified CL particles were surface active and could be used to stabilize oil-in-water Pickering emulsions. ATRP of water-soluble cross-linking monomers, confined to the oil-water interface by the surface-bound PSB, then led to nanoparticle/polymer composite shells. This method allowed encapsulation of core solvents (xylene, hexadecane, perfluoroheptane) with different solubility parameters. The microcapsule (MC) wall chemistry could accommodate different monomers, demonstrating the versatility of this method. Double-walled MCs were formed by sequentially carrying out PETI-ATRP and in situ polymerization of encapsulated monomers. The double-walled structure was verified by both transmission electron microscopy (TEM) and scanning transmission X-ray microscopy (STXM).

  6. ASSEMBLY TRANSFER SYSTEM DESCRIPTION DOCUMENT

    Energy Technology Data Exchange (ETDEWEB)

    B. Gorpani

    2000-06-26

    The Assembly Transfer System (ATS) receives, cools, and opens rail and truck transportation casks from the Carrier/Cask Handling System (CCHS). The system unloads transportation casks consisting of bare Spent Nuclear Fuel (SNF) assemblies, single element canisters, and Dual Purpose Canisters (DPCs). For casks containing DPCs, the system opens the DPCs and unloads the SNF. The system stages the assemblies, transfer assemblies to and from fuel-blending inventory pools, loads them into Disposal Containers (DCs), temporarily seals and inerts the DC, decontaminates the DC and transfers it to the Disposal Container Handling System. The system also prepares empty casks and DPCs for off-site shipment. Two identical Assembly Transfer System lines are provided in the Waste Handling Building (WHB). Each line operates independently to handle the waste transfer throughput and to support maintenance operations. Each system line primarily consists of wet and dry handling areas. The wet handling area includes a cask transport system, cask and DPC preparation system, and a wet assembly handling system. The basket transport system forms the transition between the wet and dry handling areas. The dry handling area includes the dry assembly handling system, assembly drying system, DC preparation system, and DC transport system. Both the wet and dry handling areas are controlled by the control and tracking system. The system operating sequence begins with moving transportation casks to the cask preparation area. The cask preparation operations consist of cask cavity gas sampling, cask venting, cask cool-down, outer lid removal, and inner shield plug lifting fixture attachment. Casks containing bare SNF (no DPC) are filled with water and placed in the cask unloading pool. The inner shield plugs are removed underwater. For casks containing a DPC, the cask lid(s) is removed, and the DPC is penetrated, sampled, vented, and cooled. A DPC lifting fixture is attached and the cask is placed

  7. Dimer-atom-atom recombination in the universal four-boson system

    OpenAIRE

    Deltuva, A.

    2012-01-01

    The dimer-atom-atom recombination process in the system of four identical bosons with resonant interactions is studied. The description uses the exact Alt, Grassberger and Sandhas equations for the four-particle transition operators that are solved in the momentum-space framework. The dimer-dimer and atom-trimer channel contributions to the ultracold dimer-atom-atom recombination rate are calculated. The dimer-atom-atom recombination rate greatly exceeds the three-atom recombination rate.

  8. Momentum Transfer of an Atom Moving in an Optical Cavity

    Institute of Scientific and Technical Information of China (English)

    张敬涛; 徐至展

    2001-01-01

    When an atom moves in an optical cavity, the total momentum of the atom does not remain constant. We study a two-level atom moving slowly in an optical cavity, and give the time dependence of its mean momentum. It is found that when the initial momentum of the atom is larger than that of the photon, the mean momentum oscillates around a value less than the initial value. But, if the initial momentum is less than the momentum of the photon, the mean momentum of the atom is greater than its initial value in most cases.

  9. Hybrid quantum systems of atoms and ions

    CERN Document Server

    Zipkes, Christoph; Palzer, Stefan; Sias, Carlo; Köhl, Michael

    2010-01-01

    In recent years, ultracold atoms have emerged as an exceptionally controllable experimental system to investigate fundamental physics, ranging from quantum information science to simulations of condensed matter models. Here we go one step further and explore how cold atoms can be combined with other quantum systems to create new quantum hybrids with tailored properties. Coupling atomic quantum many-body states to an independently controllable single-particle gives access to a wealth of novel physics and to completely new detection and manipulation techniques. We report on recent experiments in which we have for the first time deterministically placed a single ion into an atomic Bose Einstein condensate. A trapped ion, which currently constitutes the most pristine single particle quantum system, can be observed and manipulated at the single particle level. In this single-particle/many-body composite quantum system we show sympathetic cooling of the ion and observe chemical reactions of single particles in situ...

  10. A scheme for transferring an unknown atomic entangled state via cavity quantum electrodynamics

    Institute of Scientific and Technical Information of China (English)

    Wu Tao; Ye Liu; Ni Zhi-Xiang

    2006-01-01

    In this paper, we propose a scheme for transferring an unknown atomic entangled state via cavity quantum electrodynamics (QED). This scheme, which has a successful probability of 100 percent, does not require Bell-state measurement and performing any operations to reconstruct an initial state. Meanwhile, the scheme only involves atomfield interaction with a large detuning and does not require the transfer of quantum information between the atoms and cavity. Thus the scheme is insensitive to the cavity field states and cavity decay. This scheme can also be extended to transfer ring an entangled state of n-atom.

  11. Synthesis and characterization of poly(2-ethylhexyl acrylate) prepared via atom transfer radical polymerization, reverse atom transfer radical polymerization and radical polymerization

    Indian Academy of Sciences (India)

    Dhruba Jyoti Haloi; Bishnu Prasad Koiry; Prithwiraj Mandal; Nikhil Kumar Singha

    2013-07-01

    This investigation reports a comparative study of poly(2-ethylhexyl acrylate) (PEHA) prepared via atom transfer radical polymerization (ATRP), reverse atom transfer radical polymerization (RATRP) and conventional free radical polymerization (FRP). The molecular weights and the molecular weight distributions of the polymers were measured by gel permeation chromatography (GPC) analysis. Structural characterization of the polymers was carried out by 1H NMR and MALDI-TOF-MS analyses. Thermal properties of the polymers were evaluated by differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). The polymerization results and the thermal properties of PEHAs prepared via ATRP, RATRP and FRP were compared.

  12. Implementing quantum electrodynamics with ultracold atomic systems

    CERN Document Server

    Kasper, V; Jendrzejewski, F; Oberthaler, M K; Berges, J

    2016-01-01

    We discuss the experimental engineering of model systems for the description of QED in one spatial dimension via a mixture of bosonic $^{23}$Na and fermionic $^6$Li atoms. The local gauge symmetry is realized in an optical superlattice, using heteronuclear boson-fermion spin-changing interactions which preserve the total spin in every local collision. We consider a large number of bosons residing in the coherent state of a Bose-Einstein condensate on each link between the fermion lattice sites, such that the behavior of lattice QED in the continuum limit can be recovered. The discussion about the range of possible experimental parameters builds, in particular, upon experiences with related setups of fermions interacting with coherent samples of bosonic atoms. We determine the atomic system's parameters required for the description of fundamental QED processes, such as Schwinger pair production and string breaking. This is achieved by benchmark calculations of the atomic system and of QED itself using function...

  13. Nonstationary Heat Conduction in Atomic Systems

    Science.gov (United States)

    Singh, Amit K.

    Understanding heat at the atomistic level is an interesting exercises. It is fascinating to note how the vibration of atoms result into thermodynamic concept of heat. This thesis aims to bring insights into different constitutive laws of heat conduction. We also develop a framework in which the interaction of thermostats to the system can be studied and a well known Kapitza effect can be reduced. The thesis also explores stochastic and continuum methods to model the latent heat release in the first order transition of ideal silicon surfaces into dimers. We divide the thesis into three works which are connected to each other: 1. Fourier's law leads to a diffusive model of heat transfer in which a thermal signal propagates infinitely fast and the only material parameter is the thermal conductivity. In micro- and nano-scale systems, non-Fourier effects involving coupled diffusion and wavelike propagation of heat can become important. An extension of Fourier's law to account for such effects leads to a Jeffreys-type model for heat transfer with two relaxation times. In this thesis, we first propose a new Thermal Parameter Identification (TPI) method for obtaining the Jeffreys-type thermal parameters from molecular dynamics simulations. The TPI method makes use of a nonlinear regression-based approach for obtaining the coefficients in analytical expressions for cosine and sine-weighted averages of temperature and heat flux over the length of the system. The method is applied to argon nanobeams over a range of temperature and system sizes. The results for thermal conductivity are found to be in good agreement with standard Green-Kubo and direct method calculations. The TPI method is more efficient for systems with high diffusivity and has the advantage, that unlike the direct method, it is free from the influence of thermostats. In addition, the method provides the thermal relaxation times for argon. Using the determined parameters, the Jeffreys-type model is able to

  14. Schwinger variational calculation of ionization of hydrogen atoms for large momentum transfers

    Indian Academy of Sciences (India)

    K Chakrabarti

    2002-03-01

    Schwinger variational principle is used here to study large momentum transfer cases of electron and positron impact ionization of atomic hydrogen from the ground state at intermediate and moderately high energies. The results appear somewhat better compared to other theories.

  15. Radiative heat transfer in low-dimensional systems -- microscopic mode

    Science.gov (United States)

    Woods, Lilia; Phan, Anh; Drosdoff, David

    2013-03-01

    Radiative heat transfer between objects can increase dramatically at sub-wavelength scales. Exploring ways to modulate such transport between nano-systems is a key issue from fundamental and applied points of view. We advance the theoretical understanding of radiative heat transfer between nano-objects by introducing a microscopic model, which takes into account the individual atoms and their atomic polarizabilities. This approach is especially useful to investigate nano-objects with various geometries and give a detailed description of the heat transfer distribution. We employ this model to study the heat exchange in graphene nanoribbon/substrate systems. Our results for the distance separations, substrates, and presence of extended or localized defects enable making predictions for tailoring the radiative heat transfer at the nanoscale. Financial support from the Department of Energy under Contract No. DE-FG02-06ER46297 is acknowledged.

  16. Charge-transfer energy in closed-shell ion-atom interactions. [for H and Li ions in He

    Science.gov (United States)

    Alvarez-Rizzatti, M.; Mason, E. A.

    1975-01-01

    The importance of charge-transfer energy in the interactions between closed-shell ions and atoms is investigated. Ab initio calculations on H(plus)-He and Li(plus)-He are used as a guide for the construction of approximate methods for the estimation of the charge-transfer energy for more complicated systems. For many alkali ion-rate gas systems the charge-transfer energy is comparable to the induction energy in the region of the potential minimum, although for doubly charged alkaline-earth ions in rare gases the induction energy always dominates. Surprisingly, an empirical combination of repulsion energy plus asymptotic induction energy plus asymptotic dispersion energy seems to give a fair representation of the total interaction, especially if the repulsion energy is parameterized, despite the omission of any explicit charge-transfer contribution. More refined interaction models should consider the charge-transfer energy contribution.

  17. Do Spin State and Spin Density Affect Hydrogen Atom Transfer Reactivity?

    Science.gov (United States)

    Saouma, Caroline T; Mayer, James M

    2014-01-01

    The prevalence of hydrogen atom transfer (HAT) reactions in chemical and biological systems has prompted much interest in establishing and understanding the underlying factors that enable this reactivity. Arguments have been advanced that the electronic spin state of the abstractor and/or the spin-density at the abstracting atom are critical for HAT reactivity. This is consistent with the intuition derived from introductory organic chemistry courses. Herein we present an alternative view on the role of spin state and spin-density in HAT reactions. After a brief introduction, the second section introduces a new and simple fundamental kinetic analysis, which shows that unpaired spin cannot be the dominant effect. The third section examines published computational studies of HAT reactions, which indicates that the spin state affects these reactions indirectly, primarily via changes in driving force. The essay concludes with a broader view of HAT reactivity, including indirect effects of spin and other properties on reactivity. It is suggested that some of the controversy in this area may arise from the diversity of HAT reactions and their overlap with proton-coupled electron transfer (PCET) reactions.

  18. Radical and Atom Transfer Halogenation (RATH): A Facile Route for Chemical and Polymer Functionalization.

    Science.gov (United States)

    Han, Yi-Jen; Lin, Chia-Yu; Liang, Mong; Liu, Ying-Ling

    2016-05-01

    This work demonstrates a new halogenation reaction through sequential radical and halogen transfer reactions, named as "radical and atom transfer halogenation" (RATH). Both benzoxazine compounds and poly(2,6-dimethyl-1,4-phenylene oxide) have been demonstrated as active species for RATH. Consequently, the halogenated compound becomes an active initiator of atom transfer radical polymerization. Combination of RATH and sequential ATRP provides an convenient and effective approach to prepare reactive and crosslinkable polymers. The RATH reaction opens a new window both to chemical synthesis and molecular design and preparation of polymeric materials.

  19. Coherent population transfer in Rydberg potassium atom by a single frequency-chirped laser pulse

    Institute of Scientific and Technical Information of China (English)

    Zhang Xian-Zhou; Ma Qiao-Zhi; Li Xiao-Hong

    2006-01-01

    By using the time-dependent multilevel approach, we have calculated the coherent population transfer among the quantum states of potassium atom by a single frequency-chirped laser pulse. The results show that the population can be efficiently transferred to a target state and be trapped there by using an ‘intuitive’ or a ‘counter-intuitive’ frequency sweep laser pulse in the case of ‘narrowband’ frequency-chirped laser pulse. It is also found that a pair of sequential ‘broadband’ frequency-chirped laser pulses can efficiently transfer population from one ground state of the A atom to the other one.

  20. [Electron transfer, ionization, and excitation in atomic collisions]. [Pennsylvania State Univ

    Energy Technology Data Exchange (ETDEWEB)

    1992-01-01

    Fundamental processes of electron transfer, ionization, and excitation in ion-atom and ion-ion collisions are studied. Attention is focussed on one- and two-electron systems and, more recently, quasi-one-electron systems whose electron-target-ion core can be accurately modeled by one-electron potentials. The basic computational approaches can then be taken with few, if any, approximations, and the underlying collisional mechanisms can be more clearly revealed. At intermediate collision energies (e.g., proton energies for p-He[sup +] collisions on the order of 100 kilo-electron volts), many electronic states are strongly coupled during the collision, a coupled-state approach, such as a coupled-Sturmian-pseudostate approach, is appropriate. At higher collision energies (million electron-volt energies) the coupling is weaker with, however, many more states being coupled together, so that high-order perturbation theory is essential.

  1. Entanglement and quantum state transfer between two atoms trapped in two indirectly coupled cavities

    Science.gov (United States)

    Zheng, Bin; Shen, Li-Tuo; Chen, Ming-Feng

    2016-05-01

    We propose a one-step scheme for implementing entanglement generation and the quantum state transfer between two atomic qubits trapped in two different cavities that are not directly coupled to each other. The process is realized through engineering an effective asymmetric X-Y interaction for the two atoms involved in the gate operation and an auxiliary atom trapped in an intermediate cavity, induced by virtually manipulating the atomic excited states and photons. We study the validity of the scheme as well as the influences of the dissipation by numerical simulation and demonstrate that it is robust against decoherence.

  2. Remote atom entanglement in a fibre-connected three-atom system

    Institute of Scientific and Technical Information of China (English)

    Guo Yan-Qing; Chen Jing; Song He-Shan

    2008-01-01

    An Ising-type atom-atom interaction is obtained in a fibre-connected three-atom system. The interaction is effective when △≈γO>>g.The preparations of remote two-atom and three-atom entanglements governed by this interaction are discussed in a specific parameter region.The overall two-atom entanglement is very small because of the existence of the third atom.However,the three-atom entanglement can reach a maximum very close to 1.

  3. Remote atom entanglement in a fiber-connected three-atom system

    OpenAIRE

    Yan-Qing, Guo; Jing, Chen; He-Shan, Song

    2008-01-01

    An Ising-type atom-atom interaction is obtained in a fiber-connected three-atom system. The interaction is effective when $\\Delta\\approx \\gamma _{0}\\gg g$. The preparations of remote two-atom and three-atom entanglement governed by this interaction are discussed in specific parameters region. The overall two-atom entanglement is very small because of the existence of the third atom. However, the three-atom entanglement can reach a maximum very close to 1.

  4. Implementing quantum electrodynamics with ultracold atomic systems

    Science.gov (United States)

    Kasper, V.; Hebenstreit, F.; Jendrzejewski, F.; Oberthaler, M. K.; Berges, J.

    2017-02-01

    We discuss the experimental engineering of model systems for the description of quantum electrodynamics (QED) in one spatial dimension via a mixture of bosonic 23Na and fermionic 6Li atoms. The local gauge symmetry is realized in an optical superlattice, using heteronuclear boson–fermion spin-changing interactions which preserve the total spin in every local collision. We consider a large number of bosons residing in the coherent state of a Bose–Einstein condensate on each link between the fermion lattice sites, such that the behavior of lattice QED in the continuum limit can be recovered. The discussion about the range of possible experimental parameters builds, in particular, upon experiences with related setups of fermions interacting with coherent samples of bosonic atoms. We determine the atomic system’s parameters required for the description of fundamental QED processes, such as Schwinger pair production and string breaking. This is achieved by benchmark calculations of the atomic system and of QED itself using functional integral techniques. Our results demonstrate that the dynamics of one-dimensional QED may be realized with ultracold atoms using state-of-the-art experimental resources. The experimental setup proposed may provide a unique access to longstanding open questions for which classical computational methods are no longer applicable.

  5. Nitrogen Atom Transfer From High Valent Iron Nitrides

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Michael D. [New Mexico State Univ., Las Cruces, NM (United States); Smith, Jeremy M. [Indiana Univ., Bloomington, IN (United States)

    2015-10-14

    This report describes the synthesis and reactions of high valent iron nitrides. Organonitrogen compounds such as aziridines are useful species for organic synthesis, but there are few efficient methods for their synthesis. Using iron nitrides to catalytically access these species may allow for their synthesis in an energy-and atom-efficient manner. We have developed a new ligand framework to achieve these goals as well as providing a method for inducing previously unknown reactivity.

  6. Optical fiber data transfer system

    Science.gov (United States)

    Mcmillan, S. H.

    1988-01-01

    This Phase 2 effort applies the results of Phase 1 to design and fabricate an optical slip ring system for a helicopter rotor blade/wind tunnel application. In this application, there are two assemblies: one on the rotating portion of the mechanical system, one on the stationary portion. The assembly on the rotating portion digitizes and encodes 128 transducer signals from various parts of the blade, and optically transfers data across the noncontacting coupling. Two complete identical independent channels are provided. On the stationary side, the signals are decoded and one channel is transmitted in digital form to a computer for recording and analysis. The second channel reconstructs the analog transducer signals for real time observation. In the opposite direction, eight signal channels enable control signals to be passed from the stationary to the rotating part of the system. Power to the rotor mounted electronics is supplied via power slip rings. The advantages of the optical over the traditional electro-mechanical slip ring method of data transfer across a rotating joint are long life, low-maintenance, immunity to crosstalk, and wider bandwidth. Successful completion of this effort demonstrated that this method is practical and reliable, and can be implemented under difficult conditions of available space, power, environment, and stringent performance and equipment life requirements.

  7. Two-dimensional atom localization via probe absorption in a four-level atomic system

    Institute of Scientific and Technical Information of China (English)

    Wang Zhi-Ping; Ge Qiang; Ruan Yu-Hua; Yu Ben-Li

    2013-01-01

    We have investigated the two-dimensional (2D) atom localization via probe absorption in a coherently driven fourlevel atomic system by means of a radio-frequency field driving a hyperfine transition.It is found that the detecting probability and precision of 2D atom localization can be significantly improved via adjusting the system parameters.As a result,our scheme may be helpful in laser cooling or the atom nano-lithography via atom localization.

  8. Optimal control of complex atomic quantum systems

    Science.gov (United States)

    van Frank, S.; Bonneau, M.; Schmiedmayer, J.; Hild, S.; Gross, C.; Cheneau, M.; Bloch, I.; Pichler, T.; Negretti, A.; Calarco, T.; Montangero, S.

    2016-10-01

    Quantum technologies will ultimately require manipulating many-body quantum systems with high precision. Cold atom experiments represent a stepping stone in that direction: a high degree of control has been achieved on systems of increasing complexity. However, this control is still sub-optimal. In many scenarios, achieving a fast transformation is crucial to fight against decoherence and imperfection effects. Optimal control theory is believed to be the ideal candidate to bridge the gap between early stage proof-of-principle demonstrations and experimental protocols suitable for practical applications. Indeed, it can engineer protocols at the quantum speed limit – the fastest achievable timescale of the transformation. Here, we demonstrate such potential by computing theoretically and verifying experimentally the optimal transformations in two very different interacting systems: the coherent manipulation of motional states of an atomic Bose-Einstein condensate and the crossing of a quantum phase transition in small systems of cold atoms in optical lattices. We also show that such processes are robust with respect to perturbations, including temperature and atom number fluctuations.

  9. Mechanism of Photoinduced Metal-Free Atom Transfer Radical Polymerization: Experimental and Computational Studies.

    Science.gov (United States)

    Pan, Xiangcheng; Fang, Cheng; Fantin, Marco; Malhotra, Nikhil; So, Woong Young; Peteanu, Linda A; Isse, Abdirisak A; Gennaro, Armando; Liu, Peng; Matyjaszewski, Krzysztof

    2016-02-24

    Photoinduced metal-free atom transfer radical polymerization (ATRP) of methyl methacrylate was investigated using several phenothiazine derivatives and other related compounds as photoredox catalysts. The experiments show that all selected catalysts can be involved in the activation step, but not all of them participated efficiently in the deactivation step. The redox properties and the stability of radical cations derived from the catalysts were evaluated by cyclic voltammetry. Laser flash photolysis (LFP) was used to determine the lifetime and activity of photoexcited catalysts. Kinetic analysis of the activation reaction according to dissociative electron-transfer (DET) theory suggests that the activation occurs only with an excited state of catalyst. Density functional theory (DFT) calculations revealed the structures and stabilities of the radical cation intermediates as well as the reaction energy profiles of deactivation pathways with different photoredox catalysts. Both experiments and calculations suggest that the activation process undergoes a DET mechanism, while an associative electron transfer involving a termolecular encounter (the exact reverse of DET pathway) is favored in the deactivation process. This detailed study provides a deeper understanding of the chemical processes of metal-free ATRP that can aid the design of better catalytic systems. Additionally, this work elucidates several important common pathways involved in synthetically useful organic reactions catalyzed by photoredox catalysts.

  10. Waste Feed Delivery Transfer System Analysis

    Energy Technology Data Exchange (ETDEWEB)

    JULYK, L.J.

    2000-05-05

    This document provides a documented basis for the required design pressure rating and pump pressure capacity of the Hanford Site waste-transfer system in support of the waste feed delivery to the privatization contractor for vitrification. The scope of the analysis includes the 200 East Area double-shell tank waste transfer pipeline system and the associated transfer system pumps for a11 Phase 1B and Phase 2 waste transfers from AN, AP, AW, AY, and A2 Tank Farms.

  11. Non-exponential decay of atomic systems

    CERN Document Server

    Ishkhanyan, A M

    2014-01-01

    We discuss the possibility of non-exponential decay of various quantum quasi-stationary systems. This effect can occur at the times which are greater than the lifetime of a considered system. The mechanism for non-exponential depletion of an initial quasi-stationary state is the cutting of the energy spectrum of final continuous states at long times. We first consider the known examples of cold emission of electrons from metal, tunneling alpha-decay of atomic nuclei, and spontaneous decay in two-level systems. The new physical situations discussed are the single-photon atomic ionization by a weak electromagnetic field and tunneling ionization of atoms by a strong low-frequency electromagnetic field. In both cases the decay obeys a power-law dependence on the (long) interaction time. We find that the most promising possibility for observing non-exponential decay at long times is the single-photon ionization of negative atomic ions near the threshold.

  12. Miniaturized optical system for atomic fountain clock

    Institute of Scientific and Technical Information of China (English)

    Lü De-Sheng; Qu Qiu-Zhi; Wang Bin; Zhao Jian-Bo; Li Tang; Liu Liang; Wang Yu-Zhu

    2011-01-01

    Using modularized components, we have built a miniaturized optical system for 87Rb atomic fountain clock that is fitted on an 80 cm × 60 cm optical breadboard. Compared with the conventional optical setup on the table, our system is more compact, more robust and miniaturized. Taking advantage of this system, laser beams are transmitted through eight optical fibre patch cords from the optical breadboard to an ultra high vacuum system. This optical setup has operated for five months in our fountain system and required no alignment.

  13. Persistent Perfect Entanglement in Atomic Systems

    Science.gov (United States)

    Ali Can, Muhammet

    2004-03-01

    It has been shown recently [1] that a pure entangled state of two-level atoms can be obtained in an optical resonator through the exchange by cavity photons. Unfortunately, the lifetime of such an entangled state, caused by the radiative decay time for the dipole transitions is very short. The situation can be improved through the use of three-level atoms with lambda-type transition [2]. In this case, the cavity field pumps transition between the lowest (ground) and highest (excited) states. Then, the decay of the excited state can populate the intermediate state. This is just the Raman-type process with emission of Stokes photon in atomic system. Because of the selection rules by the parity conservation, the dipole decay from the intermediate state to the ground state is forbidden. If the Stokes photons created by the transitions from the excited state to the ground state are discarded (through the use of cavity leakage of absorption), the final state of atomic system is stabile or at least durable. In the case of 2n three-level atoms, this can lead to the N-qubit perfect entangled state, where N=2j+1 and j is an odd ``spin'' corresponding to the SU(2) algebra in the Hilbert space H=(C2)^ otimes N In fact, these are the SU(2) phase states of odd ``spin'' have been discussed in [3] in the context of two-level atoms. The possibility to create and observe these states with present experimental technique is discussed. [1] A. Beige, S. Bose, D. Braun, S.F. Huelga, P.L. Knight, M.B. Plenio, and V. Verdal. J. Mod. Optics 47, 2583 (2000). [2] M.A. Can, A.A. Klyachko, and A.S. Shumovsky. Appl. Phys. Lett. 81, 5072 (2002). [3] M.A. Can, A.A. Klyachko, and A.S. Shumovsky. Phys. Rev. A 66, 022111 (2002).

  14. A multi-atom and resonant interaction scheme for quantum state transfer and logical gates between two remote cavities via an optical fibre

    CERN Document Server

    Yin, Z; Yin, Zhang-qi; Li, Fu-li

    2007-01-01

    A system consisting of two single-mode cavities spatially separated and connected by an optical fibre and multi two-level atoms trapped in the cavities is considered. If the atoms resonantly and collectively interact with the local cavity fields but there is no direct interaction between the atoms, we show that an ideal quantum state transfer, and highly reliable quantum swap, entangling and controlled-Z gates can be deterministically realized between the distant cavities. We find that the operation of the state-transfer, and swap, entangling and controlled-Z gates can be greatly speeded up as number of the atoms in the cavities increases. We also notice that the effects of spontaneous emission of atoms and photon leakage out of cavity on the quantum processes can also be greatly diminished in the multi-atom case.

  15. Long range intermolecular forces in triatomic systems: connecting the atom-diatom and atom-atom-atom representations

    OpenAIRE

    2005-01-01

    The long-range forces that act between three atoms are analysed in both atom-diatom and atom-atom-atom representations. Expressions for atom-diatom dispersion coefficients are obtained in terms of 3-body nonadditive coefficients. The anisotropy of atom-diatom C_6 dispersion coefficients arises primarily from nonadditive triple-dipole and quadruple-dipole forces, while pairwise-additive forces and nonadditive triple-dipole and dipole-dipole-quadrupole forces contribute significantly to atom-di...

  16. A New Initiator Cholesteryl Chloroformate for Cupper-Based Atom Transfer Radical Polymerization of Methyl Methacrylate

    Institute of Scientific and Technical Information of China (English)

    曹健; 楚娟; 张可达

    2004-01-01

    The polymerization of metyl methacrylate (MMA) was studied in detail by use of CuCl/L as a catalyst and cholesteryl chloroformate (CC) as an initiator. It was found that the atom transfer radical polymerization of MMA could proceed when L equals to a multidentate aliphatic amine ligand, N,N,N',N",N"-penta(methyl acrylate)diethylenetriamine (MA5-DETA), and no polymerization was occurred while L=2,2'-bipyridine and 1,10-phenanthroline. The linear proportionality of the molecular weights to the conversions and straight lines observed in ln[M]0/[M] versus time plots indicated that the present polymerization system had the typical controlled polymerization characteristics.

  17. Electron transfer, ionization, and excitation in atomic collisions. Progress report, June 15, 1989--June 14, 1992

    Energy Technology Data Exchange (ETDEWEB)

    Winter, T.G.; Alston, S.G.

    1992-08-01

    The research being carried out at Penn State by Winter and Alston addresses the fundamental processes of electron transfer, ionization, and excitation in ion-atom (and ion-ion) collisions. The focus is on intermediate- and higher-energy collisions, corresponding to proton energies of about 25 kilo-electron-volts (keV) or larger. At intermediate energies, where the transition probabilities are not small, many states must be coupled in a large calculation, while at higher energies, perturbative approaches may be used. Several studies have been carried out in the current three-year period; most of these treat systems with only one or two electrons, so that fewer approximations need be made and the basic collisional mechanisms can be more clearly described.

  18. Surface-initiated atom transfer radical polymerization of methyl methacrylate from magnetite nanoparticles at ambient temperature.

    Science.gov (United States)

    Raghuraman, G K; Dhamodharan, R

    2006-07-01

    The synthesis of methyl methacrylate (MMA) brush from the surface of magnetite nanoparticles (core-shell structure), from initiator moieties anchored covalently to the nanoparticles, via room temperature atom transfer radical polymerization (ATRP) is described. The surface-initiated polymerization was carried out from a surface-confined initiator containing a 2-bromoisobutyrate moiety with Cu(I)Br/PMDETA catalytic system. The initiator moiety was covalently anchored to the nanoparticles via a two step modification reaction scheme. Controlled polymerization was observed if ethyl-2-bromoisobutyrate (2-EiBrB) was added as a free/sacrificial initiator. A linear increase of molecular weight and a narrow molecular weight distribution of the PMMA formed in solution, provide evidence for a controlled surface-initiated polymerization, leading to surface-attached polymer brushes under mild conditions. The grafted PMMA provides good stability and dispersibility for the nanoparticles in organic solvents.

  19. THERMOSENSITIVITY OF NARROW-DISPERSED POLY(N-N-PROPYLACRYLAMIDE) PREPARED BY ATOM TRANSFER RADICAL POLYMERIZATION

    Institute of Scientific and Technical Information of China (English)

    Hua-yong Hu; Jing Du; Qing-bin Meng; Zhan-yong Li; Xiao-xia Zhu

    2008-01-01

    Controlled polymerization of N-n-propylacrylamide was achieved by atom transfer radical polymerization (ATRP)in a N,N-dimethylformamide-water mixture (50 vol%) at room temperature with methyl 2-chloropropinonate as initiator andCuCl/tris(2-dimethylaminoethyl)amine as the catalytic system in a ratio of 1:1:1. High molecular weight homopolymers (upto 3.7×104) with narrow molecular weight distribution (less than 1.2) were obtained. The living character of thepolymerization was further demonstrated by self-blocking experiment. An inverse molecular weight dependence of the cloudpoint of narrow-dispersed poly(N-n-propylacrylamide) aqueous solution was determined by turbidimetry and differentialscanning calorimetry, especially for the low molecular weight samples.

  20. BC Transfer System: New Members Policy

    Science.gov (United States)

    British Columbia Council on Admissions and Transfer, 2009

    2009-01-01

    The mandate of the British Columbia Council on Admissions and Transfer (BCCAT) includes the responsibility to manage and coordinate the British Columbia (BC) Transfer System. Upon its inception in 1989, the Council inherited a Transfer System that included all BC public institutions, Yukon College, and three private institutions. Since then, new…

  1. Correlation Between Energy Transfer Rate and Atomization Energy of Some Trinitro Aromatic Explosive Molecules

    Institute of Scientific and Technical Information of China (English)

    Su-hong Ge; Xin-lu Cheng; Zheng-lai Liu; Xiang-dong Yang; Fang-fang Dong

    2008-01-01

    An assumptive theoretical relationship is suggested to describe the property of molecular atomization energy and energy transfer rate in the initiation of explosions. To investigate the relationship between atomization energy and energy transfer rate, the number of doorway modes of explosives is estimated by the theory of Dlott and Fayer in which the rate is proportional to the number of normal mode vibrations. It was evaluated frequencies of normal mode vibrations of eight molecules by means of density functional theory (DFT) at the b3p86/6-31G(d,p) level. It is found that the number of doorway modes shows a linear correlation to the atomization energies of the molecules, which were also calculated by means of the same method. A mechanism of this correlation is discussed. It is also noted that in those explosives with similar molecular structure and molecular weight, the correlation between the atomization energy and the number of doorway modes is higher.

  2. Quantum state transfer and logic gates with two 3-level atoms in cavity QED

    Science.gov (United States)

    Yang, Chui-Ping; Chu, Shih-I.

    2004-08-01

    We present a new way to implement quantum controlled phase-shift gate, quantum exchange gate (SWAP gate), and quantum state transfer with two 3-level atoms in cavity QED. The method does not involve real excitation of a cavity photon during the operation, thus decoherence induced due to the cavity-photon decay is minimized. In addition, it is remarkable that for all present purposes, no auxiliary atoms or any measurement is needed. Therefore, the operation is significantly simplified.

  3. Modulation Transfer Spectroscopy of Ytterbium Atoms in a Hollow Cathode Lamp

    Institute of Scientific and Technical Information of China (English)

    WANG Wen-Li; XU Xin-Ye

    2011-01-01

    We present the experimental study of modulation transfer spectroscopy of ytterbium atoms in a hollow cathode lamp.The dependences of its linewidth, slope and magnitude on the various experimental parameters are measured and fitted by the well-known theoretical expressions. The experimental results are in good agreement with the theoretical prediction. We have observed the Dicke narrowing effect by increasing the current of the hollow cathode lamp. It is also found that there are the optimal current and laser power to generate the better modulation transfer spectroscopy signal, which can be employed for locking the laser frequency to the atomic transition.

  4. Generation of a cold pulsed beam of Rb atoms by transfer from a 3D magneto-optic trap

    CERN Document Server

    Chanu, Sapam Ranjita; Natarajan, Vasant

    2016-01-01

    We demonstrate a technique for producing a cold pulsed beam of atoms by transferring a cloud of atoms trapped in a three dimensional magneto-optic trap (MOT). The MOT is loaded by heating a getter source of Rb atoms. We show that it is advantageous to transfer with two beams (with a small angle between them) compared to a single beam, because the atoms stop interacting with the beams in the two-beam technique, which results in a Gaussian velocity distribution. The atoms are further cooled in optical molasses by turning off the MOT magnetic field before the transfer beams are turned on.

  5. Cation-modulated electron-transfer channel: H-atom transfer vs proton-coupled electron transfer with a variable electron-transfer channel in acylamide units.

    Science.gov (United States)

    Chen, Xiaohua; Bu, Yuxiang

    2007-08-08

    The mechanism of proton transfer (PT)/electron transfer (ET) in acylamide units was explored theoretically using density functional theory in a representative model (a cyclic coupling mode between formamide and the N-dehydrogenated formamidic radical, FF). In FF, PT/ET normally occurs via a seven-center cyclic proton-coupled electron transfer (PCET) mechanism with a N-->N PT and an O-->O ET. However, when different hydrated metal ions are bound to the two oxygen sites of FF, the PT/ET mechanism may significantly change. In addition to their inhibition of PT/ET rate, the hydrated metal ions can effectively regulate the FF PT/ET cooperative mechanism to produce a single pathway hydrogen atom transfer (HAT) or a flexible proton coupled electron transfer (PCET) mechanism by changing the ET channel. The regulation essentially originates from the change in the O...O bond strength in the transition state, subject to the binding ability of the hydrated metal ions. In general, the high valent metal ions and those with large binding energies can promote HAT, and the low valent metal ions and those with small binding energies favor PCET. Hydration may reduce the Lewis acidity of cations, and thus favor PCET. Good correlations among the binding energies, barrier heights, spin density distributions, O...O contacts, and hydrated metal ion properties have been found, which can be used to interpret the transition in the PT/ET mechanism. These findings regarding the modulation of the PT/ET pathway via hydrated metal ions may provide useful information for a greater understanding of PT/ET cooperative mechanisms, and a possible method for switching conductance in nanoelectronic devices.

  6. Fast adiabatic quantum state transfer and entanglement generation between two atoms via dressed states

    Science.gov (United States)

    Wu, Jin-Lei; Ji, Xin; Zhang, Shou

    2017-01-01

    We propose a dressed-state scheme to achieve shortcuts to adiabaticity in atom-cavity quantum electrodynamics for speeding up adiabatic two-atom quantum state transfer and maximum entanglement generation. Compared with stimulated Raman adiabatic passage, the dressed-state scheme greatly shortens the operation time in a non-adiabatic way. By means of some numerical simulations, we determine the parameters which can guarantee the feasibility and efficiency both in theory and experiment. Besides, numerical simulations also show the scheme is robust against the variations in the parameters, atomic spontaneous emissions and the photon leakages from the cavity.

  7. Dry Transfer Systems for Used Nuclear Fuel

    Energy Technology Data Exchange (ETDEWEB)

    Brett W. Carlsen; Michaele BradyRaap

    2012-05-01

    The potential need for a dry transfer system (DTS) to enable retrieval of used nuclear fuel (UNF) for inspection or repackaging will increase as the duration and quantity of fuel in dry storage increases. This report explores the uses for a DTS, identifies associated general functional requirements, and reviews existing and proposed systems that currently perform dry fuel transfers. The focus of this paper is on the need for a DTS to enable transfer of bare fuel assemblies. Dry transfer systems for UNF canisters are currently available and in use for transferring loaded canisters between the drying station and storage and transportation casks.

  8. TRANSFER RESERVOIR AS A RAINWATER DRAINAGE SYSTEM

    Directory of Open Access Journals (Sweden)

    Robert Malmur

    2016-06-01

    Full Text Available Intensive rainfalls and snow melting often cause floods in protected areas and overflow the existing sewage systems. Such cases are particularly burdensome for the inhabitants and cause considerable physical losses. One of the possible constructional solutions to ensure the effective outflow of stormwater are transfer reservoirs located between the draining system and a receiver set discussed in this paper. If gravity outflow of sewage is impossible, the initial part of sewage volume is accumulated in the transfer reservoir and then it is transferred into the water receiver set. However, gravity discharge of sewage to the water receiver set occurs through transfer chambers in the transfer reservoir.

  9. Laboratory Measurements of Charge Transfer on Atomic Hydrogen at Thermal Energies

    Science.gov (United States)

    Havener, C. C.; Vane, C. R.; Krause, H. F.; Stancil, P. C.; Mroczkowski, T.; Savin, D. W.

    2002-01-01

    We describe our ongoing program to measure velocity dependent charge transfer (CT) cross sections for selected ions on atomic hydrogen using the ion-aloin merged-beams apparatus at Oak Ridge Natioiial Laboralory. Our focus is on those ions for which CT plays an important role in determining the ionization structure, line emis sion, and thermal structure of observed cosmic photoionized plasmas.

  10. Surface-Initiated Atom Transfer Radical Polymerization from Electrospun Mats: An Alternative to Nafion

    DEFF Research Database (Denmark)

    Javakhishvili, Irakli; Dimitrov, Ivaylo; Tynelius, Oskar

    2016-01-01

    Proton exchange membranes for fuel cell applications are synthesized by surface-initiated(SI) atom transfer radical polymerization (ATRP). Poly(vinylidene fluoride-co-chlorotrifluoroethylene)is electrospun into 50 μm thick mat, which is then employed as multifunctionalinitiator for copper...

  11. Polymer coating comprising 2-methoxyethyl acrylate units synthesized by surface-initiated atom transfer radical polymerization

    DEFF Research Database (Denmark)

    2011-01-01

    Source: US2012184029A The present invention relates to preparation of a polymer coating comprising or consisting of polymer chains comprising or consisting of units of 2-methoxyethyl acrylate synthesized by Surface-Initiated Atom Transfer Radical Polymerization (SI ATRP) such as ARGET SI ATRP...... or AGET SI ATRP and uses of said polymer coating....

  12. Novel fluorinated block copolymer architectures fuelled by atom transfer radical polymerization

    DEFF Research Database (Denmark)

    Jankova, Katja; Hvilsted, Søren

    2005-01-01

    Block copolymers based on poly(pentafluorostyrene), PFS, in various numbers and of different lengths, and polystyrene are prepared by atom transfer radical polymerization (ATRP). Di- and triblock copolymers with varying amounts of PFS were synthesized employing either I phenylethylbromide or 1,4-...

  13. Near-resonant versus nonresonant chemiluminescent charge-transfer reactions of atomic ions with HCl

    Science.gov (United States)

    Glenewinkel-Meyer, Th.; Ottinger, Ch.

    1994-01-01

    Charge-transfer reactions of C+, O+, F+, Ar+ and some other atomic ions with hydrogen chloride were investigated at collision energies between eVc.m.. This may be due to formation of a long-lived collision complex (Ar-HCl)+.

  14. Proton-Conducting Sulfonated Ionomers by Chemical Modification and Atom Transfer Radical Polymerization

    DEFF Research Database (Denmark)

    Nielsen, Mads Møller

    of hydrocarbon macromolecular architectures, PSU with postsulfonated polystyrene (PS) grafts are investigated. Here, IEC is controlled through the degree of substitution, the graft length and DS. The grafting is performed with atom transfer radical polymerization (ATRP). The third assessment is dedicated...

  15. Hydrolysis of 4-Acetoxystyrene Polymers Prepared by Atom Transfer Radical Polymerization

    DEFF Research Database (Denmark)

    Chen, Xianyi; Jankova, Katja; Kops, Jørgen

    1999-01-01

    Hydrolysis of 4-acetoxystyrene polymers prepared by atom transfer radical polymerization was carried out under various reaction conditions. It was found that hydrazinolysis of 4-acetoxystyrene homopolymers, random and block copolymers with styrene in 1,4-dioxane, afforded the corresponding narrow...

  16. Protein repellent hydrophilic grafts prepared by surface-initiated atom transfer radical polymerization from polypropylene

    DEFF Research Database (Denmark)

    Fristrup, Charlotte Juel; Jankova Atanasova, Katja; Eskimergen, Rüya

    2012-01-01

    Grafting of poly(ethylene glycol)methacrylate (PEGMA) and N,N-dimethylacrylamide (DMAAm) from UV-initiator modified polypropylene (PP) was performed by Surface-Initiated Atom Transfer Radical Polymerization (SI-ATRP). The modification and hydrophilization of the PP substrates were confirmed...

  17. Surface-initiated Atom Transfer Radical Polymerization - a Technique to Develop Biofunctional Coatings

    DEFF Research Database (Denmark)

    Fristrup, Charlotte Juel; Jankova Atanasova, Katja; Hvilsted, Søren

    2009-01-01

    The initial formation of initiating sites for atom transfer radical polymerization (ATRP) on various polymer surfaces and numerous inorganic and metallic surfaces is elaborated. The subsequent ATRP grafting of a multitude of monomers from such surfaces to generate thin covalently linked polymer...

  18. Three-dimensional atom localization via electromagnetically induced transparency in a three-level atomic system.

    Science.gov (United States)

    Wang, Zhiping; Cao, Dewei; Yu, Benli

    2016-05-01

    We present a new scheme for three-dimensional (3D) atom localization in a three-level atomic system via measuring the absorption of a weak probe field. Owing to the space-dependent atom-field interaction, the position probability distribution of the atom can be directly determined by measuring the probe absorption. It is found that, by properly varying the parameters of the system, the probability of finding the atom in 3D space can be almost 100%. Our scheme opens a promising way to achieve high-precision and high-efficiency 3D atom localization, which provides some potential applications in laser cooling or atom nano-lithography via atom localization.

  19. Linear System Identification via Atomic Norm Regularization

    CERN Document Server

    Shah, Parikshit; Tang, Gongguo; Recht, Benjamin

    2012-01-01

    This paper proposes a new algorithm for linear system identification from noisy measurements. The proposed algorithm balances a data fidelity term with a norm induced by the set of single pole filters. We pose a convex optimization problem that approximately solves the atomic norm minimization problem and identifies the unknown system from noisy linear measurements. This problem can be solved efficiently with standard, freely available software. We provide rigorous statistical guarantees that explicitly bound the estimation error (in the H_2-norm) in terms of the stability radius, the Hankel singular values of the true system and the number of measurements. These results in turn yield complexity bounds and asymptotic consistency. We provide numerical experiments demonstrating the efficacy of our method for estimating linear systems from a variety of linear measurements.

  20. Kinetic Studies of Atom Transfer Radical Polymerisations of Styrene and Chloromethylstyrene with Poly(3-hexyl thiophene Macroinitiator

    Directory of Open Access Journals (Sweden)

    Nattawoot Rattanathamwat

    2015-01-01

    Full Text Available Poly(3-hexyl thiophene-b-poly(styrene-co-chloromethylstyrene copolymers, to be used as a prepolymer for preparing donor-acceptor block copolymers for organic solar cells, have been synthesised by reacting P3HT macroinitiators with styrene and chloromethylstyrene via three types of atom transfer radical polymerisation (ATRP systems, which are (1 a normal ATRP, (2 activators generated by electron transfer (AGET, and (3 a simultaneous reverse and normal initiation (SR&NI. The kinetics of these ATRP systems were studied as a function of monomers to the macroinitiator molar ratio. It was found that all of the three types of ATRP systems led to first order kinetics with respect to monomers. The highest rate constant (k of 3.4 × 10−3 s−1 was obtained from the SR&NI ATRP system. The molecular weights of the product determined by the GPC were lower than were the theoretical values. The result was discussed in light of the chain transfer reaction to the poly(chloromethylstyrene repeating units. Morphology of the synthesized block copolymers, examined by an atomic force microscopy (AFM, were also compared and discussed.

  1. Hydrogen atom transfer reactions in thiophenol: photogeneration of two new thione isomers.

    Science.gov (United States)

    Reva, Igor; Nowak, Maciej J; Lapinski, Leszek; Fausto, Rui

    2015-02-21

    Photoisomerization reactions of monomeric thiophenol have been investigated for the compound isolated in low-temperature argon matrices. The initial thiophenol population consists exclusively of the thermodynamically most stable thiol form. Phototransformations were induced by irradiation of the matrices with narrowband tunable UV light. Irradiation at λ > 290 nm did not induce any changes in isolated thiophenol molecules. Upon irradiation at 290-285 nm, the initial thiol form of thiophenol converted into its thione isomer, cyclohexa-2,4-diene-1-thione. This conversion occurs by transfer of an H atom from the SH group to a carbon atom at the ortho position of the ring. Subsequent irradiation at longer wavelengths (300-427 nm) demonstrated that this UV-induced hydrogen-atom transfer is photoreversible. Moreover, upon irradiation at 400-425 nm, the cyclohexa-2,4-diene-1-thione product converts, by transfer of a hydrogen atom from the ortho to para position, into another thione isomer, cyclohexa-2,5-diene-1-thione. The latter thione isomer is also photoreactive and is consumed if irradiated at λ atom-transfer isomerization reactions dominate the unimolecular photochemistry of thiophenol confined in a solid argon matrix. A set of low-intensity infrared bands, observed in the spectra of UV irradiated thiophenol, indicates the presence of a phenylthiyl radical with an H- atom detached from the SH group. Alongside the H-atom-transfer and H-atom-detachment processes, the ring-opening photoreaction occurred in cyclohexa-2,4-diene-1-thione by the cleavage of the C-C bond at the alpha position with respect to the thiocarbonyl C[double bond, length as m-dash]S group. The resulting open-ring conjugated thioketene adopts several isomeric forms, differing by orientations around single and double bonds. The species photogenerated upon UV irradiation of thiophenol were identified by comparison of their experimental infrared spectra with the spectra theoretically calculated for

  2. Atom Interferometry with up to 24-Photon-Momentum-Transfer Beam Splitters

    CERN Document Server

    Mueller, Holger; Long, Quan; Herrmann, Sven; Chu, Steven

    2007-01-01

    We present multi- (up to 24-)photon Bragg diffraction as beam splitter to achieve the largest splitting in momentum space in any light-pulse atom interferometer thus far. Relative to the 2-photon processes used in the most sensitive present interferometers, these large momentum transfer beam splitters increase the phase shift 12-fold for Mach-Zehnder and 144-fold for Ramsey-Borde geometries. As the atom's internal state is not changed, important systematic effects can cancel. This dramatic increase in sensitivity and precision opens the door to improved measurements of the fine-structure constant, inertial forces, and tests of relativity and quantum electrodynamics.

  3. Hydrophilization of Poly(ether ether ketone) Films by Surface-initiated Atom Transfer Radical Polymerization

    DEFF Research Database (Denmark)

    Fristrup, Charlotte Juel; Eskimergen, Rüya; Burkrinsky, J.T.

    2008-01-01

    -modified PEEK using Surface-Initiated Atom Transfer Radical Polymerization (SI ATRP). Surface reduction of PEEK to form hydroxyl groups [1, 2, 3] was .performed prior to the attachment of 2-bromoisobutyrate initiating groups. Each modification step of PEEK as well as the polymer grafting was followed...... and confirmed by ATR FTIR, water contact ang;le, and Thermal Gravimetric Analysis (TGA). The surface topography was evaluated by "Atomic Force Microscopy (AFM). X-ray Photoelectron Spectroscopy (XPS) has been used to investigate the degree of functionalization. The performed modification allowed for successful...

  4. High-dimensional atom localization via spontaneously generated coherence in a microwave-driven atomic system.

    Science.gov (United States)

    Wang, Zhiping; Chen, Jinyu; Yu, Benli

    2017-02-20

    We investigate the two-dimensional (2D) and three-dimensional (3D) atom localization behaviors via spontaneously generated coherence in a microwave-driven four-level atomic system. Owing to the space-dependent atom-field interaction, it is found that the detecting probability and precision of 2D and 3D atom localization behaviors can be significantly improved via adjusting the system parameters, the phase, amplitude, and initial population distribution. Interestingly, the atom can be localized in volumes that are substantially smaller than a cubic optical wavelength. Our scheme opens a promising way to achieve high-precision and high-efficiency atom localization, which provides some potential applications in high-dimensional atom nanolithography.

  5. Saturn facility oil transfer automation system

    Energy Technology Data Exchange (ETDEWEB)

    Joseph, Nathan R.; Thomas, Rayburn Dean; Lewis, Barbara Ann; Malagon, Hector Ricardo.

    2014-02-01

    The Saturn accelerator, owned by Sandia National Laboratories, has been in operation since the early 1980s and still has many of the original systems. A critical legacy system is the oil transfer system which transfers 250,000 gallons of transformer oil from outside storage tanks to the Saturn facility. The oil transfer system was iden- ti ed for upgrade to current technology standards. Using the existing valves, pumps, and relay controls, the system was automated using the National Instruments cRIO FGPA platform. Engineered safety practices, including a failure mode e ects analysis, were used to develop error handling requirements. The uniqueness of the Saturn Oil Automated Transfer System (SOATS) is in the graphical user interface. The SOATS uses an HTML interface to communicate to the cRIO, creating a platform independent control system. The SOATS was commissioned in April 2013.

  6. Quantum coherent effects in multi-Zeeman-sublevel atomic systems

    Institute of Scientific and Technical Information of China (English)

    Dong Ya-Bin; Gao Jiang-Rui; Dong You-Er

    2008-01-01

    This paper reports the experimental results on electromagnetically induced absorption(EIA)spectra observed in the system which does not satisfy completely the conditions given by Lezama et al[1999 Phys.Rev.A 59 4732].EIA signals on the transitions in the Cs D2 line are able to be observed,where Fg (→)F3=Fg-1 as open systems.Theoretical model of Lezama et al is good for the case Fg(→)=Fg+1,considering spontaneous transfer of atomic coherences or populations this model is not able to explain our experimental results obtained in the case Fg(→)Fe=Fg-1.This paper offers a theoretical model which is able to well explain the case Fg(→)Fe=Fg-1.It also uses this theoretical model to explain the split and shift of EIA peaks,which have been obtained in experiments.

  7. ATOM TRANSFER RADICAL POLYMERIZATION OF 2,5-BIS[(4-HEXYLOXYPHENYL)OXYCARBONYL]STYRENE

    Institute of Scientific and Technical Information of China (English)

    Yi Yi; Xing-he Fan; Yong-feng Zhao; Xiao-fang Chen; Xin-hua Wan; Qi-feng Zhou

    2005-01-01

    A side-on liquid crystalline monomer, 2,5-bis[(4-hexyloxyphenyl)oxycarbonyl]styrene) (HPCS), was successfully polymerized via atom transfer radical polymerization (ATRP). The polymerization was catalyzed by CuBr/PMDETA in chlorobenzene at 90℃ with (1-bromoethyl)benzene as the initiator. The polymers have narrow MWD. It is the second example of mesogen-jacketed liquid crystalline polymer (MJLCP) prepared by ATRP.

  8. Hydrophilization of poly(ether ether ketone) films by surface-initiated atom transfer radical polymerization

    DEFF Research Database (Denmark)

    Fristrup, Charlotte Juel; Jankova Atanasova, Katja; Hvilsted, Søren

    2010-01-01

    Surface-Initiated Atom Transfer Radical Polymerization (SI-ATRP) has been exploited to hydrophilize PEEK. The ketone groups on the PEEK surface were reduced to hydroxyl groups which were converted to bromoisobutyrate initiating sites for SI-ATRP. The modification steps were followed by contact an...... in the surface topography. Two possible applications arose from the hydrophilization of PEEK, metal deposition and protein repellency. The performed modification allowed for successful electroless deposition and good adhesion of nickel as well as copper....

  9. Radical zinc-atom-transfer-based carbozincation of haloalkynes with dialkylzincs

    Directory of Open Access Journals (Sweden)

    Fabrice Chemla

    2013-02-01

    Full Text Available The formation of alkylidenezinc carbenoids by 1,4-addition/carbozincation of dialkylzincs or alkyl iodides based on zinc atom radical transfer, in the presence of dimethylzinc with β-(propargyloxyenoates having pendant iodo- and bromoalkynes, is disclosed. Formation of the carbenoid intermediate is fully stereoselective at −30 °C and arises from a formal anti-selective carbozincation reaction. Upon warming, the zinc carbenoid is stereochemically labile and isomerizes to its more stable form.

  10. Bibliography on electron transfer processes in ion-ion/atom/molecule collisions. Updated 1997

    Energy Technology Data Exchange (ETDEWEB)

    Tawara, H.

    1997-04-01

    Following our previous compilations (IPPJ-AM-45 (1986), NIFS-DATA-7 (1990), NIFS-DATA-20 (1993)), bibliographic information on experimental and theoretical studies on electron transfer processes in ion-ion/atom/molecule collisions is up-dated. The references published through 1954-1996 are listed in the order of the publication year. For easy finding of the references for a combination of collision partners, a simple list is provided. (author)

  11. Universal four-boson system: dimer-atom-atom Efimov effect and recombination reactions

    CERN Document Server

    Deltuva, A

    2013-01-01

    Recent theoretical developments in the four-boson system with resonant interactions are described. Momentum-space scattering equations for the four-particle transition operators are used. The properties of unstable tetramers with approximate dimer-atom-atom structure are determined. In addition, the three- and four-cluster recombination processes in the four-boson system are studied.

  12. HYDROPHILIC MODIFICATION OF PPESK POROUS MEMBRANES VIA AQUEOUS SURFACE-INITIATED ATOM TRANSFER RADICAL POLYMERIZATION

    Institute of Scientific and Technical Information of China (English)

    Zhuan Yi; You-yi Xu; Li-ping Zhu; Han-bang Dong; Bao-ku Zhu

    2009-01-01

    Hydrophilic surface modification of poly(phthalazinone ether sulfone ketone)(PPESK)porous membranes was achieved via surface-initiated atom transfer radical polymerization(ATRP)in aqueous medium.Prior to ATRP,chloromethyl groups were introduced onto PPESK main chains by chloromethylation.Chloromethylated PPESK(CMPPESK)was fabricated into porous membrane through phase inversion technique.Hydrophilic poly(poly(ethylene glycol)methyl ether methacrylate)(P(PEGMA))brushes were grafted from CMPPESK membrane under the initiation of benzyl chloride groups on membrane surface.The results of Fourier transform infrared(FT-IR)spectroscopy and X-ray photoelectron spectroscopy (XPS)confirmed the grafting of P(PEGMA)chains.Water contact angle measurements and protein adsorption experiments suggested that the hydrophilicity and anti-fouling ability of PPESK membrane were remarkably improved after the grafting of P(PEGMA)brushes.The addition of small amount of water in the reaction solvent apparently accelerated the progress of the grafting reaction.The use of CuCl2 in the catalyst system promoted the controllability of the ATRP reaction.

  13. System for Multicast File Transfer

    Directory of Open Access Journals (Sweden)

    Dorin Custura

    2012-03-01

    Full Text Available The distribution of big files over the network from a single source to a large number of recipients is not efficient by using standard client-server or even peer-to peer file transfer protocols.  Thus, the transfer of a hierarchy of big files to multiple destinations can be optimized in terms of bandwidth usage and data storage reads by using multicast networking. In order to achieve that, a simple application layer protocol can be imagined. It uses multicast UDP as transport and it provides a mechanism for data ordering and retransmission. Some security problems are also considered in this protocol, because at this time the Internet standards supporting multicast security are still in the development stage.

  14. Coherence preservation of a single neutral atom qubit transferred between magic-intensity optical traps

    CERN Document Server

    Yang, Jiaheng; Guo, Ruijun; Xu, Peng; Wang, Kunpeng; Sheng, Cheng; Liu, Min; Wang, Jin; Derevianko, Andrei; Zhan, Mingsheng

    2016-01-01

    We demonstrate that the coherence of a single mobile atomic qubit can be well preserved during a transfer process among different optical dipole traps (ODTs). This is a prerequisite step in realizing a large-scale neutral atom quantum information processing platform. A qubit encoded in the hyperfine manifold of $^{87}$Rb atom is dynamically extracted from the static quantum register by an auxiliary moving ODT and reinserted into the static ODT. Previous experiments were limited by decoherences induced by the differential light shifts of qubit states. Here we apply a magic-intensity trapping technique which mitigates the detrimental effects of light shifts and substantially enhances the coherence time to $225 \\pm 21\\,\\mathrm{ms}$. The experimentally demonstrated magic trapping technique relies on the previously neglected hyperpolarizability contribution to the light shifts, which makes the light shift dependence on the trapping laser intensity to be parabolic. Because of the parabolic dependence, at a certain ...

  15. Ultracold, radiative charge transfer in hybrid Yb ion - Rb atom traps

    CERN Document Server

    McLaughlin, B M; Lane, I C; McCann, J F

    2014-01-01

    Ultracold hybrid ion-atom traps offer the possibility of microscopic manipulation of quantum coherences in the gas using the ion as a probe. However, inelastic processes, particularly charge transfer can be a significant process of ion loss and has been measured experimentally for the Yb$^{+}$ ion immersed in a Rb vapour. We use first-principles quantum chemistry codes to obtain the potential energy curves and dipole moments for the lowest-lying energy states of this complex. Calculations for the radiative decay processes cross sections and rate coefficients are presented for the total decay processes. Comparing the semi-classical Langevin approximation with the quantum approach, we find it provides a very good estimate of the background at higher energies. The results demonstrate that radiative decay mechanisms are important over the energy and temperature region considered. In fact, the Langevin process of ion-atom collisions dominates cold ion-atom collisions. For spin dependent processes \\cite{kohl13} the...

  16. Atomic dynamics in the mode-mode competition system

    Institute of Scientific and Technical Information of China (English)

    Wu Qin; Fang Mao-Fa

    2004-01-01

    The atomic dynamical properties in the system with competing k-photon and l-photon transitions are studied fully by means of quantum theory. We discuss the influences of the mode-mode competition, the relative competing strengths of the atom and the two-mode field, and the initial state of the system on the atomic dynamics. We show that the presence of the mode-mode competition can result in quite a periodical collapses-revivals of the atomic inversion and the increase of the initial photons of the system can lead to the collapse-revival phenomenon and prolong the revival time of the atomic inversion.

  17. [Electron transfer, ionization, and excitation in atomic collisions]. Final technical report, June 15, 1986--June 14, 1998

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-12-31

    The research on theoretical atomic collisions that was funded at The Pennsylvania State University`s Wilkes-Barre Campus by DOE from 1986 to 1998 was carried out by Winger from 1986 to 1989 and by Winter and Alston from 1989 to 1998. The fundamental processes of electron transfer, ionization, and excitation in ion-ion, ion-atom, and, more recently, ion-molecule collisions were addressed. These collision processes were treated in the context of simple one-electron, quasi-one-electron, or two-electron systems in order to provide unambiguous results and reveal more clearly the collisional mechanisms. Winter`s work generally focused on the intermediate projectile-energy range corresponding to proton energies from about ten to a few hundred keV. In this velocity-matching energy range, the electron-transfer cross section reaches a peak, and many states, including electron-transfer and ionization states, contribute to the overall electron-cloud distribution and transition probabilities; a large number of states are coupled, and therefore perturbative approaches are generally inappropriate. These coupled-state calculations were sometimes also extended to higher energies to join with perturbative results. Alston concentrated on intermediate-energy asymmetric collision systems, for which coupling with the projectile is weaker, but many target states are included, and on high energies (MeV energies). Thus, while perturbation theory for electron transfer is valid, it is not adequate to first order. The studies by Winter and Alston described were often done in parallel. Alston also developed formal perturbative approaches not tied to any particular system. Materials studied included He{sup +}, Li{sup 2+}, Be{sup 3+}, B{sup 4+}, C{sup 5+}, and the H{sup +} + Na system.

  18. Net force on an asymmetrically excited two-atom system from vacuum fluctuations

    Science.gov (United States)

    Donaire, M.

    2016-12-01

    A net force on a system of two dissimilar atoms, one of which is excited, is shown to result from their van der Waals interaction. It is accompanied by a net transfer of linear momentum to the quantum fluctuations of the electromagnetic field. This momentum results from the asymmetric interference of the virtual photons scattered off each atom along the interatomic direction, which is in itself a manifestation of the optical theorem. Ultimately, the virtual photons' momentum, of equal strength and opposite direction to the momentum gained by the two-atom system while excited, is released through directional spontaneous emission, which allows for an indirect measure, a posteriori, of the total force on the excited system. A quantitative prediction is made in a two-alkali atom system. It is conjectured that a net force and hence a nonzero momentum of quantum fluctuations take place in any asymmetrically excited system.

  19. Insight into a reversible energy transfer system.

    Science.gov (United States)

    Gao, Ming Xuan; Zou, Hong Yan; Gao, Peng Fei; Liu, Yue; Li, Na; Li, Yuan Fang; Huang, Cheng Zhi

    2016-09-15

    Resonance energy transfer (RET) processes have wide applications; these processes involve a unidirectional energy transfer from a particular donor to a particular acceptor. Here, we report a plasmonic resonance energy transfer (PRET), which occurs from the surface of gold nanoparticles to fluorescent organic dyes, and coexists with a nanometal surface energy transfer (NSET) that operates in the reverse direction. The coexistence of both PRET and NSET in opposite directions means that the roles of both donor and acceptor can be interchanged, which could be identified by using spectrofluorometric measurements and light scattering dark field microscopic imaging. The experimental data could be further theoretically supported using Persson and Lang's model, the quasi-static approximation and finite-difference time-domain simulation. Moreover, disruption of the PRET process by altering the energy transfer pairs suggests that interactions occur inside the reversible energy transfer system, which manifest by increasing the fluorescence quenching efficiency of the NSET process.

  20. In Situ Catalyst Modification in Atom Transfer Radical Reactions with Ruthenium Benzylidene Complexes.

    Science.gov (United States)

    Lee, Juneyoung; Grandner, Jessica M; Engle, Keary M; Houk, K N; Grubbs, Robert H

    2016-06-08

    Ruthenium benzylidene complexes are well-known as olefin metathesis catalysts. Several reports have demonstrated the ability of these catalysts to also facilitate atom transfer radical (ATR) reactions, such as atom transfer radical addition (ATRA) and atom transfer radical polymerization (ATRP). However, while the mechanism of olefin metathesis with ruthenium benzylidenes has been well-studied, the mechanism by which ruthenium benzylidenes promote ATR reactions remains unknown. To probe this question, we have analyzed seven different ruthenium benzylidene complexes for ATR reactivity. Kinetic studies by (1)H NMR revealed that ruthenium benzylidene complexes are rapidly converted into new ATRA-active, metathesis-inactive species under typical ATRA conditions. When ruthenium benzylidene complexes were activated prior to substrate addition, the resulting activated species exhibited enhanced kinetic reactivity in ATRA with no significant difference in overall product yield compared to the original complexes. Even at low temperature, where the original intact complexes did not catalyze the reaction, preactivated catalysts successfully reacted. Only the ruthenium benzylidene complexes that could be rapidly transformed into ATRA-active species could successfully catalyze ATRP, whereas other complexes preferred redox-initiated free radical polymerization. Kinetic measurements along with additional mechanistic and computational studies show that a metathesis-inactive ruthenium species, generated in situ from the ruthenium benzylidene complexes, is the active catalyst in ATR reactions. Based on data from (1) H, (13)C, and (31)P NMR spectroscopy and X-ray crystallography, we suspect that this ATRA-active species is a RuxCly(PCy3)z complex.

  1. Ultracold magnetically tunable interactions without radiative charge transfer losses between Ca$^+$, Sr$^+$, Ba$^+$, and Yb$^+$ ions and Cr atoms

    CERN Document Server

    Tomza, Michał

    2015-01-01

    The Ca$^+$, Sr$^+$, Ba$^+$, and Yb$^+$ ions immersed in an ultracold gas of the Cr atoms are proposed as experimentally feasible heteronuclear systems in which ion-atom interactions at ultralow temperatures can be controlled with magnetically tunable Feshbach resonances without charge transfer and radiative losses. \\textit{Ab initio} techniques are applied to investigate electronic-ground-state properties of the (CaCr)$^+$, (SrCr)$^+$, (BaCr)$^+$, and (YbCr)$^+$ molecular ions. The potential energy curves, permanent electric dipole moments, and static electric dipole polarizabilities are computed. The spin restricted open-shell coupled cluster method restricted to single, double, and noniterative triple excitations, RCCSD(T), and the multireference configuration interaction method restricted to single and double excitations, MRCISD, are employed. The scalar relativistic effects are included within the small-core energy-consistent pseudopotentials. The leading long-range induction and dispersion interaction co...

  2. Hydroperoxyl Radicals (HOO(.) ): Vitamin E Regeneration and H-Bond Effects on the Hydrogen Atom Transfer.

    Science.gov (United States)

    Cedrowski, Jakub; Litwinienko, Grzegorz; Baschieri, Andrea; Amorati, Riccardo

    2016-11-07

    Hydroperoxyl (HOO(.) ) and alkylperoxyl (ROO(.) ) radicals show a different behavior in H-atom-transfer processes. Both radicals react with an analogue of α-tocopherol (TOH), but HOO(.) , unlike ROO(.) , is able to regenerate TOH by a fast H-atom transfer: TO(.) +HOO(.) →TOH+O2 . The kinetic solvent effect on the H-atom transfer from TOH to HOO(.) is much stronger than that observed for ROO(.) because noncovalent interactions with polar solvents (Solv⋅⋅⋅HOO(.) ) destabilize the transition state.

  3. A model for energy transfer in collisions of atoms with highly excited molecules.

    Science.gov (United States)

    Houston, Paul L; Conte, Riccardo; Bowman, Joel M

    2015-05-21

    A model for energy transfer in the collision between an atom and a highly excited target molecule has been developed on the basis of classical mechanics and turning point analysis. The predictions of the model have been tested against the results of trajectory calculations for collisions of five different target molecules with argon or helium under a variety of temperatures, collision energies, and initial rotational levels. The model predicts selected moments of the joint probability distribution, P(Jf,ΔE) with an R(2) ≈ 0.90. The calculation is efficient, in most cases taking less than one CPU-hour. The model provides several insights into the energy transfer process. The joint probability distribution is strongly dependent on rotational energy transfer and conservation laws and less dependent on vibrational energy transfer. There are two mechanisms for rotational excitation, one due to motion normal to the intermolecular potential and one due to motion tangential to it and perpendicular to the line of centers. Energy transfer is found to depend strongly on the intermolecular potential and only weakly on the intramolecular potential. Highly efficient collisions are a natural consequence of the energy transfer and arise due to collisions at "sweet spots" in the space of impact parameter and molecular orientation.

  4. Optical Energy Transfer and Conversion System

    Science.gov (United States)

    Stone, William C. (Inventor); Hogan, Bartholomew P. (Inventor)

    2015-01-01

    An optical power transfer system comprising a fiber spooler, a fiber optic rotary joint mechanically connected to the fiber spooler, and an electrical power extraction subsystem connected to the fiber optic rotary joint with an optical waveguide. Optical energy is generated at and transferred from a base station through fiber wrapped around the spooler, through the rotary joint, and ultimately to the power extraction system at a remote mobility platform for conversion to another form of energy.

  5. Quantum noise property in coherent atomic system

    Institute of Scientific and Technical Information of China (English)

    ZHANG Jun-xiang; WANG Hai-hong; CAI Jin; GAO Jiang-rui

    2006-01-01

    The coherent superposition of atomic states leads to the characteristic change of interacting lights because of the coupling between the lights and atoms.In this paper,the noise spectrum of the quantified light interacting with the atoms is studied under the condition of electromagnetically induced transparency (EIT).It is shown that the noise spectrum displays a double M-shape noise profile resulted from the conversion of phase noise of probe beam.A squeezing of 0.3 dB can be observed at the detuning of probe light at the proper parameters of atoms and coupling beam.

  6. The role of charge transfer in the oxidation state change of Ce atoms in the TM13-CeO2(111) systems (TM = Pd, Ag, Pt, Au): a DFT + U investigation.

    Science.gov (United States)

    Tereshchuk, Polina; Freire, Rafael L H; Ungureanu, Crina G; Seminovski, Yohanna; Kiejna, Adam; Da Silva, Juarez L F

    2015-05-28

    Despite extensive studies of transition metal (TM) clusters supported on ceria (CeO2), fundamental issues such as the role of the TM atoms in the change in the oxidation state of Ce atoms are still not well understood. In this work, we report a theoretical investigation based on static and ab initio molecular dynamics density functional theory calculations of the interaction of 13-atom TM clusters (TM = Pd, Ag, Pt, Au) with the unreduced CeO2(111) surface represented by a large surface unit cell and employing Hubbard corrections for the strong on-site Coulomb correlation in the Ce f-electrons. We found that the TM13 clusters form pyramidal-like structures on CeO2(111) in the lowest energy configurations with the following stacking sequence, TM/TM4/TM8/CeO2(111), while TM13 adopts two-dimensional structures at high energy structures. TM13 induces a change in the oxidation state of few Ce atoms (3 of 16) located in the topmost Ce layer from Ce(IV) (itinerant Ce f-states) to Ce(III) (localized Ce f-states). There is a charge flow from the TM atoms to the CeO2(111) surface, which can be explained by the electronegativity difference between the TM (Pd, Ag, Pt, Au) and O atoms, however, the charge is not uniformly distributed on the topmost O layer due to the pressure induced by the TM13 clusters on the underlying O ions, which yields a decrease in the ionic charge of the O ions located below the cluster and an increase in the remaining O ions. Due to the charge flow mainly from the TM8-layer to the topmost O-layer, the charge cannot flow from the Ce(IV) atoms to the O atoms with the same magnitude as in the clean CeO2(111) surface. Consequently, the effective cationic charge decreases mainly for the Ce atoms that have a bond with the O atoms not located below the cluster, and hence, those Ce atoms change their oxidation state from IV to III. This increases the size of the Ce(III) compared with the Ce(IV) cations, which builds-in a strain within the topmost Ce layer, and

  7. Matter, energy, and heat transfer in a classical ballistic atom pump.

    Science.gov (United States)

    Byrd, Tommy A; Das, Kunal K; Mitchell, Kevin A; Aubin, Seth; Delos, John B

    2014-11-01

    A ballistic atom pump is a system containing two reservoirs of neutral atoms or molecules and a junction connecting them containing a localized time-varying potential. Atoms move through the pump as independent particles. Under certain conditions, these pumps can create net transport of atoms from one reservoir to the other. While such systems are sometimes called "quantum pumps," they are also models of classical chaotic transport, and their quantum behavior cannot be understood without study of the corresponding classical behavior. Here we examine classically such a pump's effect on energy and temperature in the reservoirs, in addition to net particle transport. We show that the changes in particle number, of energy in each reservoir, and of temperature in each reservoir vary in unexpected ways as the incident particle energy is varied.

  8. Inner hydrogen atom transfer in benzo-fused low symmetrical metal-free tetraazaporphyrin and phthalocyanine analogues: density functional theory studies.

    Science.gov (United States)

    Qi, Dongdong; Zhang, Yuexing; Cai, Xue; Jiang, Jianzhuang; Bai, Ming

    2009-02-01

    Density functional theory (DFT) calculations were carried out to study the inner hydrogen atom transfer in low symmetrical metal-free tetrapyrrole analogues ranging from tetraazaporphyrin H(2)TAP (A(0)B(0)C(0)D(0)) to naphthalocyanine H(2)Nc (A(2)B(2)C(2)D(2)) via phthalocyanine H(2)Pc (A(1)B(1)C(1)D(1)). All the transition paths of sixteen different compounds (A(0)B(0)C(0)D(0)-A(2)B(2)C(2)D(2) and A(0)B(0)C(m)D(n), m rings onto the TAP skeleton have significant effect on the potential energy barrier of the inner hydrogen atom transfer. Introducing fused benzene rings onto the hydrogen-releasing pyrrole rings can increase the transitivity of inner hydrogen atom and thus lower the transfer barrier of this inner hydrogen atom while fusing benzene rings onto the hydrogen-accepting pyrrole rings will increase the hydrogen transfer barrier to this pyrrole ring. The transient cis-isomer intermediate with hydrogen atoms joined to the two adjacent pyrrole rings with less fused benzene rings is much stable than the others. It is also found that the benzene rings fused directly onto pyrrole rings have more effect on the inner hydrogen atom transfer than the outer benzene rings fused onto the periphery of isoindole rings. The present work, representing the first effort towards systematically understanding the effect of ring enlargement through asymmetrical peripheral fusion of benzene ring(s) onto the TAP skeleton on the inner hydrogen transfer of tetrapyrrole derivatives, will be helpful in clarifying the N-H tautomerization phenomenon and detecting the cis-porphyrin isomer in bio-systems.

  9. Synchronous transfer circuits for redundant systems

    Science.gov (United States)

    Nagano, S.

    1978-01-01

    Circuit arrangements for flip-flops, counters, and clock drivers in redundant systems ensure that control is synchronously transferred to surviving components when failure occurs. In addition to original application to spacecraft systems, redundant circuits have terrestrial uses in power generators, solar-energy converters, computers, vehicle controllers, and other systems demanding high reliability.

  10. Handshake electron transfer from hydrogen Rydberg atoms incident at a series of metallic thin films

    CERN Document Server

    Gibbard, Jemma A

    2016-01-01

    Thin metallic films have a 1D quantum well along the surface normal direction, which yields particle-in-a-box style electronic quantum states. However the quantum well is not infinitely deep and the wavefunctions of these states penetrate outside the surface where the electron is bound by its own image-charge attraction. Therefore a series of discrete, vacant states reach out from the thin film into the vacuum increasing the probability of electron transfer from an external atom or molecule to the thin film, especially for the resonant case where the quantum well energy matches that of the Rydberg atom. We show that `handshake' electron transfer from a highly excited Rydberg atom to these thin-film states is experimentally measurable. Thicker films, have a wider 1D box, changing the energetic distribution and image-state contribution to the thin film wavefunctions, resulting in more resonances. Calculations successfully predict the number of resonances and the nature of the thin-film wavefunctions for a given...

  11. Handshake electron transfer from hydrogen Rydberg atoms incident at a series of metallic thin films.

    Science.gov (United States)

    Gibbard, J A; Softley, T P

    2016-06-21

    Thin metallic films have a 1D quantum well along the surface normal direction, which yields particle-in-a-box style electronic quantum states. However the quantum well is not infinitely deep and the wavefunctions of these states penetrate outside the surface where the electron is bound by its own image-charge attraction. Therefore a series of discrete, vacant states reach out from the thin film into the vacuum increasing the probability of electron transfer from an external atom or molecule to the thin film, especially for the resonant case where the quantum well energy matches that of the atom. We show that "handshake" electron transfer from a highly excited Rydberg atom to these thin-film states is experimentally measurable. Thicker films have a wider 1D box, changing the energetic distribution and image-state contribution to the thin film wavefunctions, resulting in more resonances. Calculations successfully predict the number of resonances and the nature of the thin-film wavefunctions for a given film thickness.

  12. Microwork transfer system in a nanomanufacturing world

    Science.gov (United States)

    Tsuchiya, Kensuke; Nakao, Masayuki; Okusa, Takenori; Hatamura, Yotaro; Matsumoto, Kiyoshi

    1998-01-01

    Practical micromachines, such as magnetic heads or endoscopic tools, can not be made only by shaping processes; they require post-machining processes such as assembling, wiring, piping, etc. The authors have developed an integrated manufacturing system, 'nano manufacturing world' (NMW). It performs shaping, post-machining or transferring like a factory. In this paper, we introduce a microwork transfer system, which functions a) steady transfer of a workpiece, b) non-release chucking of the workpiece during production and c) individual rotation of the workpiece using a preloaded microslide bearing on the pallet. Developed transfer system could realize the functions: less positioning error due to accurate pallet positioning by taper pins, high transfer yield of the workpieces due to no missing by a micro chuck, sub-micron rotational fluctuation due to a roller pallet by a preloaded micro slide bearing. Through the fabrication demonstrations of a sub-1 mm3 micro-house or micro force sensor block of 125 X 100 X 500 micrometers , it has been confirmed that this transfer system improved the performance of integrated manufacturing in NMW.

  13. File Transfer Algorithm for Autonomous Decentralized System

    Institute of Scientific and Technical Information of China (English)

    GUI Xun; TAN Yong-dong; Qian Qing-quan

    2008-01-01

    A file transfer algorithm based on ADP (autonomous decentralized protocol) was proposed to solve the problem that the ADS (autonomous decentralized system) middleware (NeXUS/Dlink) lacks of file transfer functions for Windows. The algorithm realizes the peer-to-peer file transfer, one-to-N inquiry/multi-response file transfer and one-to-N file distribution in the same data field based on communication patterns provided by the ADP. The peer-to-peer file transfer is implemented through a peer-to-peer communication path, one-to-N inquiry/multi-response file transfer and one-to-N file distribution are implemented through multicast commtmieation. In this algorithm, a file to be transferred is named with a GUID ( global unique identification), every data packet is marked with a sequence number, and file-receiving in parallel is implemented by caching DPOs (data processing objects) and multithread technologies. The algorithm is applied in a simulation system of the decentralized control platform, and the test results and long time stable mrming prove the feasibility of the algorithm.

  14. Atoms

    Institute of Scientific and Technical Information of China (English)

    刘洪毓

    2007-01-01

    Atoms(原子)are all around us.They are something like the bricks (砖块)of which everything is made. The size of an atom is very,very small.In just one grain of salt are held millions of atoms. Atoms are very important.The way one object acts depends on what

  15. What is the "best" atomic charge model to describe through-space charge-transfer excitations?

    Science.gov (United States)

    Jacquemin, Denis; Le Bahers, Tangui; Adamo, Carlo; Ciofini, Ilaria

    2012-04-28

    We investigate the efficiency of several partial atomic charge models (Mulliken, Hirshfeld, Bader, Natural, Merz-Kollman and ChelpG) for investigating the through-space charge-transfer in push-pull organic compounds with Time-Dependent Density Functional Theory approaches. The results of these models are compared to benchmark values obtained by determining the difference of total densities between the ground and excited states. Both model push-pull oligomers and two classes of "real-life" organic dyes (indoline and diketopyrrolopyrrole) used as sensitisers in solar cell applications have been considered. Though the difference of dipole moments between the ground and excited states is reproduced by most approaches, no atomic charge model is fully satisfactory for reproducing the distance and amount of charge transferred that are provided by the density picture. Overall, the partitioning schemes fitting the electrostatic potential (e.g. Merz-Kollman) stand as the most consistent compromises in the framework of simulating through-space charge-transfer, whereas the other models tend to yield qualitatively inconsistent values.

  16. Design Criteria for Bagless Transfer System (BTS) Packaging System

    Energy Technology Data Exchange (ETDEWEB)

    RISENMAY, H.R.

    2000-04-26

    This document provides the criteria for the design and installation of a Bagless Transfer System (BTS); Blend, Sieve and Balance Equipment; and Supercritical Fluid Extraction System (SFE). The project consists of 3 major modules: (1) Bagless Transfer System (BTS) Module; (2) Blend, Sieve and Balance Equipment; and (3) Supercritical Fluid Extraction (SFE) Module.

  17. A Laser Stabilization System for Rydberg Atom Physics

    Science.gov (United States)

    2015-09-06

    A Laser Stabilization System for Rydberg Atom Physics We purchased 2 dual wavelength ultrastable ultralow expansion glass cavities along with optics...term locking could be achieved for 2 photon Rydberg atom excitation. Both systems were offset locked using a high bandwidth resonant electro-optic...Rydberg Atom Physics Report Title We purchased 2 dual wavelength ultrastable ultralow expansion glass cavities along with optics and electronics to

  18. Exciton transfer dynamics in a trimer system

    Institute of Scientific and Technical Information of China (English)

    Tan Qing-Shou; Xu Lan; Kuang Le-Man

    2013-01-01

    We study exciton transfer dynamics in a trimer system by investigating excitation transfer probability (ETP).We calculate ETP in the zero-temperature limit and theoretically predict the environment-assisted quantum critical effect,in which ETP exhibits a sudden change at the critical point of quantum phase transition for the trimer.In particular,we find that the steady-state ETP can be observed in the presence of the environment interaction.

  19. Control and Transfer of Entanglement between Two Atoms Driven by Classical Fields under Dressed-State Representation

    Science.gov (United States)

    Liao, Qing-Hong; Zhang, Qi; Xu, Juan; Yan, Qiu-Rong; Liu, Ye; Chen, An

    2016-06-01

    We have studied the dynamics and transfer of the entanglement of the two identical atoms simultaneously interacting with vacuum field by employing the dressed-state representation. The two atoms are driven by classical fields. The influence of the initial entanglement degree of two atoms, the coupling strength between the atom and the classical field and the detuning between the atomic transition frequency and the frequency of classical field on the entanglement and atomic linear entropy is discussed. The initial entanglement of the two atoms can be transferred into the entanglement between the atom and cavity field when the dissipation is neglected. The maximally entangled state between the atoms and cavity field can be obtained under some certain conditions. The time of disentanglement of two atoms can be controlled and manipulated by adjusting the detuning and classical driving fields. Moreover, the larger the cavity decay rate is, the more quickly the entanglement of the two atoms decays. Supported by National Natural Science Foundation of China under Grant Nos. 11247213, 61368002, 11304010, 11264030, 61168001, China Postdoctoral Science Foundation under Grant No. 2013M531558, Jiangxi Postdoctoral Research Project under Grant No. 2013KY33, the Natural Science Foundation of Jiangxi Province under Grant No. 20142BAB217001, the Foundation for Young Scientists of Jiangxi Province (Jinggang Star) under Grant No. 20122BCB23002, the Research Foundation of the Education Department of Jiangxi Province under Grant Nos. GJJ13051, GJJ13057, and the Graduate Innovation Special Fund of Nanchang University under Grant No. cx2015137

  20. Rate constants for 1,5- and 1,6-hydrogen atom transfer reactions of mono-, di-, and tri-aryl-substituted donors, models for hydrogen atom transfers in polyunsaturated fatty acid radicals.

    Science.gov (United States)

    DeZutter, Christopher B; Horner, John H; Newcomb, Martin

    2008-03-06

    Rate constants for 1,5- and 1,6-hydrogen atom transfer reactions in models of polyunsaturated fatty acid radicals were measured via laser flash photolysis methods. Photolyses of PTOC (pyridine-2-thioneoxycarbonyl) ester derivatives of carboxylic acids gave primary alkyl radicals that reacted by 1,5-hydrogen transfer from mono-, di-, and tri-aryl-substituted positions or 1,6-hydrogen transfer from di- and tri-aryl-substituted positions to give UV-detectable products. Rate constants for reactions in acetonitrile at room temperature ranged from 1 x 10(4) to 4 x 10(6) s(-1). The activation energies for a matched pair of 1,5- and 1,6-hydrogen atom transfers giving tri-aryl-substituted radicals were approximately equal, as were the primary kinetic isotope effects, but the 1,5-hydrogen atom transfer reaction was 1 order of magnitude faster at room temperature than the 1,6-hydrogen atom transfer reaction due to a less favorable entropy of activation for the 1,6-transfer reaction. Solvent effects on the rate constants for the 1,5-hydrogen atom transfer reaction of the 2-[2-(diphenylmethyl)phenyl]ethyl radical at ambient temperature were as large as a factor of 2 with the reaction increasing in rate in lower polarity solvents. Hybrid density functional theory computations for the 1,5- and 1,6-hydrogen atom transfers of the tri-aryl-substituted donors were in qualitative agreement with the experimental results.

  1. Reverse atom transfer radical polymerization of styrene in emulsion initiated by AIBN or V50

    Institute of Scientific and Technical Information of China (English)

    ZHANG Kai; ZHANG Hongwen; LI Hongtu; WANG Jingyuan

    2005-01-01

    Reverse atom transfer radical polymerization of styrene was conducted in emulsion by using Cu(II)/2,2′- bipydine or Cu(II)/phen complexes, AIBN or V50 as the initiator, Brij-98 or OP-10 as the surfactant. The results of GPC showed that both polymerization processes exhibit living characters when using AIBN as the initiator. However, when V50 was used, the monomer conversion was fairly low and the whole polymerization was not controlled well. The measurement of particle size and its distribution told us that the latex particles were mean and stable when using Brij-98 as the surfactant.

  2. Optimization of transfer of laser-cooled atom cloud to a quadrupole magnetic

    Indian Academy of Sciences (India)

    S P Ram; S K Tiwari; S R Mishra; H S Rawat

    2014-02-01

    We present here our experimental results on transfer of laser-cooled atom cloud to a quadrupole magnetic trap. We show that by choosing appropriately the ratio of potential energy in magnetic trap to kinetic energy of cloud in molasses, we can obtain the maximum phase-space density in the magnetic trap. These results guide us to choose the value of current to be switched in the quadrupole coils used for magnetic trapping for a given temperature of the cloud after molasses. This study is also useful to set the initial phase-space density of the cloud before evaporative cooling.

  3. Nonradiative transfer of excitation in coherent decay from a Gaussian atomic distribution

    Energy Technology Data Exchange (ETDEWEB)

    Friedberg, Richard, E-mail: rfriedberg1@nyc.rr.com [Physics Department, Columbia University, NY (United States)

    2011-09-14

    Coherent decay of a spherically symmetric ensemble of initially resonantly phased two-level atoms is studied in the scalar photon model, in the continuum and Markov approximations. Emphasis is on the Gaussian distribution, where nonradiative transfer of excitation to excited states orthogonal to the initial one is found to be nonzero even in the limit of short wavelength, whether or not the scalar kernel exp(ik{sub 0}R)/ik{sub 0}R is replaced by its real part. Numerical results are compared to known values for the uniform distribution.

  4. Resonant electron transfer in slow collisions of protons with Rydberg hydrogen atoms

    Energy Technology Data Exchange (ETDEWEB)

    Janev, R.K.; Joachain, C.J.; Nedeljkovic, N.N.

    1984-05-01

    The resonant charge-transfer reaction of protons on highly excited hydrogen atoms is considered by taking into account both the tunneling (under-barrier) and the over-barrier (classically allowed) electron transitions. It is demonstrated that in a wide range of variation of the reduced ve- locity v = vn, the classical transition mechanism is predominant. Cross-section calculations for principal quantum numbers n between 10 and 50 are presented. The results for 45< or =n< or =50 are compared with the available experimental data and with other theoretical calculations.

  5. Stokes identification in an atomic ensemble using a filtering system

    Institute of Scientific and Technical Information of China (English)

    Luo Xiao-Ming; Ning Bo; Chen Li-Qing; Zhou Yue; Zhong Zhi-Ping; Jiang Shuo

    2009-01-01

    Polarization filtering and atomic cell filtering are applied in the identification of Stokes signals in an atomic ensemble, and reduce the noise to a level of 10~(-5) and 10~(-4) respectively. Good Stokes signals are then obtained. In this article the two filtering systems and the final Stokes output are presented, and the optimization of the polarization filtering system is highlighted.

  6. Mass transfer in binary X-ray systems

    Science.gov (United States)

    Mccray, R.; Hatchett, S.

    1975-01-01

    The influence of X-ray heating on gas flows in binary X-ray systems is examined. A simple estimate is obtained for the evaporative wind flux from a stellar atmosphere due to X-ray heating which agrees with numerical calculations by Alme and Wilson (1974) but disagrees with calculations by Arons (1973) and by Basko and Sunyaev (1974) for the Her X-1/HZ Her system. The wind flux is sensitive to the soft X-ray spectrum. The self-excited wind mechanism does not work. Mass transfer in the Hercules system probably occurs by flow of the atmosphere of HZ Her through the gravitational saddle point of the system. The accretion gas stream is probably opaque with atomic density of not less than 10 to the 15th power per cu cm and is confined to a small fraction of 4(pi) steradians. Other binary X-ray systems are briefly discussed.

  7. Excitation of heavy hydrogen-like ions by light atoms in relativistic collisions with large momentum transfers

    CERN Document Server

    Najjari, B

    2012-01-01

    We present a theory for excitation of heavy hydrogen-like projectile-ions by light target-atoms in collisions where the momentum transfers to the atom are very large on the atomic scale. It is shown that in this process the electrons and the nucleus of the atom behave as (quasi-) free particles with respect to each other and that their motion is governed by the field of the nucleus of the ion. The effect of this field on the atomic particles can be crucial for the contribution to the excitation of the ion caused by the electrons of the atom. Due to comparatively very large nuclear mass, however, this field can be neglected in the calculation of the contribution to the excitation due to the nucleus of the atom.

  8. How Large are Nonadiabatic Effects in Atomic and Diatomic Systems?

    CERN Document Server

    Yang, Yubo; Tubman, Norm; Krogel, Jaron; Hammes-Schiffer, Sharon; Ceperley, David

    2015-01-01

    With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. In this work we calculate the non-relativistic ground-state energies of atomic and molecular systems without the Born-Oppenheimer approximation. For this purpose we utilize the fixed-node diffusion Monte Carlo method, in which the nodes depend on both the electronic and ionic positions. We report ground-state energies for all systems studied, ionization energies for the first-row atoms and atomization energies for the first-row hydrides. We find the ionization energies of the atoms to be nearly independent of the Born-Oppenheimer approximation, within the accuracy of our results. The atomization energies of molecular systems, however, show small effects of the nonadiabatic coupling between electrons and nuclei.

  9. Energy transfer in double plate system dynamics

    Institute of Scientific and Technical Information of China (English)

    Katica (Stevanovic) Hedrih

    2008-01-01

    The study of energy transfer between coupled subsystems in a hybrid system is very important for applications. This paper presents an analytical analysis of energy transfer between plates of a visco-elastically connected double-plate system in free transversal vibrations. The analytical analysis shows that the visco-elastic connection between plates is responsible for the appearance of two-frequency regime in the time function, which corresponds to one eigen amplitude function of one mode, and also that time functions of different vibration modes are uncoupled, but energy transfer between plates in one eigen mode appears. It was shown for each shape of vibrations. Series of the two Lyapunov exponents corresponding to the one eigen amplitude mode are expressed by using the energy of the corresponding eigen amplitude time component.

  10. Maximizing energy transfer in vibrofluidized granular systems

    NARCIS (Netherlands)

    Windows-Yule, C.R.K.; Rosato, A.D.; Parker, D.J.; Thornton, A.R.

    2015-01-01

    Using discrete particle simulations validated by experimental data acquired using the positron emission particle tracking technique, we study the efficiency of energy transfer from a vibrating wall to a system of discrete, macroscopic particles. We demonstrate that even for a fixed input energy from

  11. Railcar waste transfer system hydrostatic test report

    Energy Technology Data Exchange (ETDEWEB)

    Ellingson, S.D.

    1997-04-03

    This Acceptance Test Report (ATR) documents for record purposes the field results, acceptance, and approvals of the completed acceptance test per HNF-SD-W417-ATP-001, ''Rail car Waste Transfer System Hydrostatic Test''. The test was completed and approved without any problems or exceptions.

  12. Railcar waste transfer system hydrostatic test

    Energy Technology Data Exchange (ETDEWEB)

    Ellingson, S.D.

    1997-03-31

    Recent modifications have been performed on the T-Plant Railcar Waste Transfer System, This Acceptance Test Procedure (ATP) has been prepared to demonstrate that identified piping welds and mechanical connections incorporated during the modification are of high integrity and are acceptable for service. This will be achieved by implementation of a hydrostatic leak test.

  13. System Transfer, Education, and Development in Mozambique

    Science.gov (United States)

    Cossa, Jose

    2011-01-01

    In this study the author used conceptual historical method to assess the phenomenon of system transfer and the association between education and development in Mozambique. The assessment was administered through critical analysis of documents pertaining to the Salazar (1924-1966), Machel (1975-1986), and Chissano (1986-2005) administrations. The…

  14. Analysis of Ligand-Receptor Association and Intermediate Transfer Rates in Multienzyme Nanostructures with All-Atom Brownian Dynamics Simulations.

    Science.gov (United States)

    Roberts, Christopher C; Chang, Chia-En A

    2016-08-25

    We present the second-generation GeomBD Brownian dynamics software for determining interenzyme intermediate transfer rates and substrate association rates in biomolecular complexes. Substrate and intermediate association rates for a series of enzymes or biomolecules can be compared between the freely diffusing disorganized configuration and various colocalized or complexed arrangements for kinetic investigation of enhanced intermediate transfer. In addition, enzyme engineering techniques, such as synthetic protein conjugation, can be computationally modeled and analyzed to better understand changes in substrate association relative to native enzymes. Tools are provided to determine nonspecific ligand-receptor association residence times, and to visualize common sites of nonspecific association of substrates on receptor surfaces. To demonstrate features of the software, interenzyme intermediate substrate transfer rate constants are calculated and compared for all-atom models of DNA origami scaffold-bound bienzyme systems of glucose oxidase and horseradish peroxidase. Also, a DNA conjugated horseradish peroxidase enzyme was analyzed for its propensity to increase substrate association rates and substrate local residence times relative to the unmodified enzyme. We also demonstrate the rapid determination and visualization of common sites of nonspecific ligand-receptor association by using HIV-1 protease and an inhibitor, XK263. GeomBD2 accelerates simulations by precomputing van der Waals potential energy grids and electrostatic potential grid maps, and has a flexible and extensible support for all-atom and coarse-grained force fields. Simulation software is written in C++ and utilizes modern parallelization techniques for potential grid preparation and Brownian dynamics simulation processes. Analysis scripts, written in the Python scripting language, are provided for quantitative simulation analysis. GeomBD2 is applicable to the fields of biophysics, bioengineering

  15. Correlation Effects in Kinetics of One-Dimensional Atomic Systems

    Directory of Open Access Journals (Sweden)

    V. D. Borman

    2013-01-01

    properties of 1D systems (such as spatial heterogeneity that is associated with strong density fluctuations, the lack of phase transitions, the presence of frozen disorder, confinement, and blocked movement of nuclear particle by its neighbours in nonequilibrium phenomena by considering the four examples. The anomalous transport in zeolite channels is considered. The mechanism of the transport may appear in carbon nanotubes and MOF structures, relaxation, mechanical properties, and stability of nonequilibrium states of free chains of metal atoms, non-Einstein atomic mobility in 1D atomic systems. Also we discuss atomic transport and separation of two-component mixture of atoms in a 1D system—a zeolite membrane with subnanometer channels. We discuss the atomic transport and separation of two-component mixture of atoms in a 1D system—zeolite membrane with subnanometer channels. These phenomena are described by the response function method for nonequilibrium systems of arbitrary density that allows us to calculate the dynamic response function and the spectrum of relaxation of density fluctuations 1D atomic system.

  16. Raman Scattering in Coherently Prepared Atomic System

    Institute of Scientific and Technical Information of China (English)

    LIN Fu-Cheng(林福成); Yongjoo Rhee; Jonghoon Yi; Hyunmin Park

    2001-01-01

    Atoms in the coherent superposition state prepared by a pulse pair are used as a novel optical memory material where a single interrogation pulse will produce a new pulse pair preserving the relative amplitudes and phases of the preparing pulse pair. Such a coherent superposition state can also be specially tailored along the propagation path to generate Raman scattering in a relatively short distance with very high efficiency.

  17. Forest Resource Information System. Phase 3: System transfer report

    Science.gov (United States)

    Mroczynski, R. P. (Principal Investigator)

    1981-01-01

    Transfer of the forest reserve information system (FRIS) from the Laboratory for Applications of Remote Sensing to St. Regis Paper Company is described. Modifications required for the transfer of the LARYS image processing software are discussed. The reformatting, geometric correction, image registration, and documentation performed for preprocessing transfer are described. Data turnaround was improved and geometrically corrected and ground-registered CCT LANDSAT 3 data provided to the user. The technology transfer activities are summarized. An application test performed in order to assess a Florida land acquisition is described. A benefit/cost analysis of FRIS is presented.

  18. Confinement-Induced Resonances in Ultracold Atom-Ion Systems

    CERN Document Server

    Melezhik, Vladimir S

    2016-01-01

    We investigate confinement-induced resonances in a system composed by a tightly trapped ion and a moving atom in a waveguide. We determine the conditions for the appearance of such resonances in a broad region -- from the "long-wavelength" limit to the opposite case when the typical length scale of the atom-ion interaction essentially exceeds the transverse waveguide width. We find considerable dependence of the resonance position on the atomic mass which, however, disappears in the "long-wavelength" limit, where the result for the confined atom-atom scattering is reproduced. We also derive an analytic formula for the resonance position in the "long-wavelength zero-energy" limit. Our results, which can be investigated in current experiments, indicate a strategy to determine the atom-ion scattering length, the temperature of the atomic ensemble in the presence of an ion impurity, and a pathway to control the atom-phonon coupling in a one dimensional ion crystal in interaction with an atomic quantum gas.

  19. NARROW-DISPERSED CROSSLINKED CORE-SHELL POLYMER MICROSPHERES PREPARED BY SURFACE-INITIATED ATOM TRANSFER RADICAL POLYMERIZATION

    Institute of Scientific and Technical Information of China (English)

    Yu-zeng Zhao; Xin-lin Yang; Feng Bai; Wen-qiang Huang

    2005-01-01

    Grafting of polystyrene with narrowly dispersed polymer microspheres through surface-initiated atom transfer radical polymerization (ATRP) was investigated. Polydivinylbenzene (PDVB) microspheres were prepared by dispersion polymerization with poly(N-vinyl pyrrolidone) (PVP) as stabilizer. The surfaces of PDVB microspheres were chloromethylated by chloromethyl methyl ether in the presence of zinc chloride as catalyst to form chloromethylbenzene initiating core sites for subsequent ATRP grafting of styrene using CuC1/bpy as catalytic system. Polystyrene was found to be grafted not only from the particle surfaces but also from within a thin shell layer, resulting in the formation of particles size increased from 2.38-2.58 μm, which can further grow to 2.93 μm during secondary grafting polymerization of styrene. This demonstrates that grafting polymerization proceeds through a typical ATRP procedure with living nature. All of the prepared microspheres have narrow particle size distribution with coefficient of variation around 10%.

  20. Modelling of the heat transfer during oxygen atoms recombination on metallic surfaces in a plasma reactor

    NARCIS (Netherlands)

    Cavadias, S; Cauquot, P; Amouroux, J

    1997-01-01

    Space shuttle overheating during the re-entry phase, due to catalytic oxygen recombination on the thermal protection system, is a problem of practical and theoretical interest. The energy transfer is characterised by the product of the accommodation and the recombination coefficients. Previous measu

  1. Radiative charge transfer in cold and ultracold Sulfur atoms colliding with Protons

    CERN Document Server

    Shen, G; Wang, J G; McCann, J F; McLaughlin, B M

    2015-01-01

    Radiative decay processes at cold and ultra cold temperatures for Sulfur atoms colliding with protons are investigated. The MOLPRO quantum chemistry suite of codes was used to obtain accurate potential energies and transition dipole moments, as a function of internuclear distance, between low-lying states of the SH$^{+}$ molecular cation. A multi-reference configuration-interaction (MRCI) approximation together with the Davidson correction is used to determine the potential energy curves and transition dipole moments, between the states of interest, where the molecular orbitals (MO's) are obtained from state-averaged multi configuration-self-consistent field (MCSCF) calculations. The collision problem is solved approximately using an optical potential method to obtain radiative loss, and a fully two-channel quantum approach for radiative charge transfer. Cross sections and rate coefficients are determined for the first time for temperatures ranging from 10 $\\mu$ K up to 10,000 K. Results are obtained for all ...

  2. Modification of Jute Fibers with Polystyrene via Atom Transfer Radical Polymerization

    DEFF Research Database (Denmark)

    Plackett, David; Jankova, Katja Atanassova; Egsgaard, Helge;

    2005-01-01

    Atom transfer radical polymerization (ATRP) was investigated as a method of covalently bonding polystyrene to jute (Corchorus capsularis) and as a possible approach to fiber composites with enhanced properties. Jute fibers were modified with a brominated initiator and subsequently ATRP modified...... to attach polystyrene and then examined using SEM, DSC, TGA, FTIR, XPS, elemental analysis, and Py-GC-MS. These techniques confirmed that polystyrene had been covalently bound to the fibers and consequently ATRP-modified jute fiber mats were used to prepare hot-pressed polystyrene composites. Composite...... applications, we conclude that further optimization of the ATRP method is required, possibly targeting higher and more uniform loading of polystyrene on the fibers....

  3. Wideband laser locking to an atomic reference with modulation transfer spectroscopy.

    Science.gov (United States)

    Negnevitsky, V; Turner, L D

    2013-02-11

    We demonstrate that conventional modulated spectroscopy apparatus, used for laser frequency stabilization in many atomic physics laboratories, can be enhanced to provide a wideband lock delivering deep suppression of frequency noise across the acoustic range. Using an acousto-optic modulator driven with an agile oscillator, we show that wideband frequency modulation of the pump laser in modulation transfer spectroscopy produces the unique single lock-point spectrum previously demonstrated with electro-optic phase modulation. We achieve a laser lock with 100 kHz feedback bandwidth, limited by our laser control electronics. This bandwidth is sufficient to reduce frequency noise by 30 dB across the acoustic range and narrows the imputed linewidth by a factor of five.

  4. Preparation of polystyrene-grafted titanate nanotubes by in situ atom transfer radical polymerization

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    This work successfully prepared nanohybrids by in situ atom transfer radical polymerization (ATRP) of styrene from titanate nanotubes (TNTs). Fourier-transform infrared (FT-IR), pronton nuclear magnetic resonance spectroscopy (1H NMR), and thermal gravimetric analysis (TGA) were used to verify the successful graft of polystyrene (PS) chains from TNTs. Transmission electron microscopy (TEM) dis-played that the obtained PS-g-TNTs nanohybrids had a core-shell structure of TNT core and PS shell. The grafted PS content was well controlled and increased with increasing of the monomer/initiator ratio. Further copolymerization of tert-butyl acrylate (tBA) from the surface of PS-g-TNTs was studied, illus-trating the "living" characteristics of the surface-induced ATRP method used in this work.

  5. SYNTHESIS OF BLOCK COPOLYMER BY INTEGRATED LIVING ANIONIC POLYMERIZATION-ATOM TRANSFER RADICAL POLYMERIZATION (ATRP)

    Institute of Scientific and Technical Information of China (English)

    Bing Liu; Feng Liu; Ning Luo; Sheng-kang Ying; Qing Liu

    2000-01-01

    Alpha-trichloroacetoxy terminated polystyrene oligomer (PS-CH2CH2OCOCCl3) and poly-(styrene-b-butadiene)oligomer [P(S-b-B)-CH2CH2OCOCCl3)] were synthesized by living anionic polymeri-zation using n-butyllithium as initiator.Then the PS-CH2CH2OCOCCl3 (PS-Cl3) or P(S-b-B)-CH2CH2O-COCCl3 (PSB-Cl3) was used as the macroinitiator in the polymerization of (meth)acrylates in the presence of CuX/bpy. AB diblock and ABC triblock copolymers were prepared by the integrated living anionic polymerization (LAP)-atom transfer radical polymerization (ATRP). The structures of the PSB-Cl3 and the P(S-b-MMA) were identified by FTIR and 1H-NMR spectrum, respectively. A new way to design block copolymers (the combination of LAP and ATRP) was developed.

  6. General model of depolarization and transfer of polarization of singly ionized atoms by collisions with hydrogen atoms

    CERN Document Server

    Derouich, Moncef

    2016-01-01

    Simulations of the generation of the atomic polarization is necessary for interpreting the second solar spectrum. For this purpose, it is important to rigorously determine the effects of the isotropic collisions with neutral hydrogen on the atomic polarization of the neutral atoms, ionized atoms and molecules. Our aim is to treat in generality the problem of depolarizing isotropic collisions between singly ionized atoms and neutral hydrogen in its ground state. Using our numerical code, we computed the collisional depolarization rates of the $p$-levels of ions for large number of values of the effective principal quantum number $n^{*}$ and the Uns\\"old energy $E_p$. Then, genetic programming has been utilized to fit the available depolarization rates. As a result, strongly non-linear relationships between the collisional depolarization rates, $n^{*}$ and $E_p$ are obtained, and are shown to reproduce the original data with accuracy clearly better than 10\\%. These relationships allow quick calculations of the ...

  7. Excited-state intramolecular proton transfer to carbon atoms: nonadiabatic surface-hopping dynamics simulations.

    Science.gov (United States)

    Xia, Shu-Hua; Xie, Bin-Bin; Fang, Qiu; Cui, Ganglong; Thiel, Walter

    2015-04-21

    Excited-state intramolecular proton transfer (ESIPT) between two highly electronegative atoms, for example, oxygen and nitrogen, has been intensely studied experimentally and computationally, whereas there has been much less theoretical work on ESIPT to other atoms such as carbon. We have employed CASSCF, MS-CASPT2, RI-ADC(2), OM2/MRCI, DFT, and TDDFT methods to study the mechanistic photochemistry of 2-phenylphenol, for which such an ESIPT has been observed experimentally. According to static electronic structure calculations, irradiation of 2-phenylphenol populates the bright S1 state, which has a rather flat potential in the Franck-Condon region (with a shallow enol minimum at the CASSCF level) and may undergo an essentially barrierless ESIPT to the more stable S1 keto species. There are two S1/S0 conical intersections that mediate relaxation to the ground state, one in the enol region and one in the keto region, with the latter one substantially lower in energy. After S1 → S0 internal conversion, the transient keto species can return back to the S0 enol structure via reverse ground-state hydrogen transfer in a facile tautomerization. This mechanistic scenario is verified by OM2/MRCI-based fewest-switches surface-hopping simulations that provide detailed dynamic information. In these trajectories, ESIPT is complete within 118 fs; the corresponding S1 excited-state lifetime is computed to be 373 fs in vacuum. Most of the trajectories decay to the ground state via the S1/S0 conical intersection in the keto region (67%), and the remaining ones via the enol region (33%). The combination of static electronic structure computations and nonadiabatic dynamics simulations is expected to be generally useful for understanding the mechanistic photophysics and photochemistry of molecules with intramolecular hydrogen bonds.

  8. Oxygen atom transfer reactions from Mimoun complexes to sulfides and sulfoxides. A bonding evolution theory analysis.

    Science.gov (United States)

    González-Navarrete, Patricio; Sensato, Fabricio R; Andrés, Juan; Longo, Elson

    2014-08-07

    In this research, a comprehensive theoretical investigation has been conducted on oxygen atom transfer (OAT) reactions from Mimoun complexes to sulfides and sulfoxides. The joint use of the electron localization function (ELF) and Thom's catastrophe theory (CT) provides a powerful tool to analyze the evolution of chemical events along a reaction pathway. The progress of the reaction has been monitored by structural stability domains from ELF topology while the changes between them are controlled by turning points derived from CT which reveal that the reaction mechanism can be separated in several steps: first, a rupture of the peroxo O1-O2 bond, then a rearrangement of lone pairs of the sulfur atom occurs and subsequently the formation of S-O1 bond. The OAT process involving the oxidation of sulfides and sulfoxides is found to be an asynchronous process where O1-O2 bond breaking and S-O1 bond formation processes do not occur simultaneously. Nucleophilic/electrophilic characters of both dimethyl sulfide and dimethyl sulfoxide, respectively, are sufficiently described by our results, which hold the key to unprecedented insight into the mapping of electrons that compose the bonds while the bonds change.

  9. Rapid cellular internalization of multifunctional star polymers prepared by atom transfer radical polymerization.

    Science.gov (United States)

    Cho, Hong Y; Gao, Haifeng; Srinivasan, Abiraman; Hong, Joanna; Bencherif, Sidi A; Siegwart, Daniel J; Paik, Hyun-Jong; Hollinger, Jeffrey O; Matyjaszewski, Krzysztof

    2010-09-13

    Poly(ethylene glycol) (PEG) star polymers containing GRGDS (Gly-Arg-Gly-Asp-Ser) peptide sequences on the star periphery were synthesized by atom transfer radical polymerization (ATRP) of poly(ethylene glycol) methyl ether methacrylate (PEGMA), GRGDS modified poly(ethylene glycol) acrylate (GRGDS-PEG-Acryl), fluorescein o-methacrylate (FMA), and ethylene glycol dimethacrylate (EGDMA) via an "arm-first" method. Star polymers were approximately 20 nm in diameter, as measured by dynamic light scattering and atomic force microscopy. Conjugation of FMA to the stars was confirmed by fluorescence microscopy, and successful attachment of GRGDS segments to the star periphery was confirmed by (1)H NMR spectroscopy. Both fluorescent PEG star polymers with and without peripheral GRGDS peptide segments were cultured with MC3T3-E1.4 cells. These star polymers were biocompatible with ≥ 90% cell viability after 24 h of incubation. Cellular uptake of PEG star polymers in MC3T3-E1.4 cells was observed by confocal microscopy. Rapid uptake of PEG star polymers with GRGDS peptides (∼ 100% of FITC-positive cells in 15 min measured by flow cytometry) was observed, suggesting enhanced delivery potential of these functional star polymers.

  10. Nonlocality Sudden Birth and Transfer in System and Environment

    Institute of Scientific and Technical Information of China (English)

    QIU Liang

    2011-01-01

    Dynamics of the nonlocality measured by the violation of Svetlichny's Bell-type inequality is investigated in the non-Markovian model. The phenomenon of nonlocality sudden birth for the atoms and the reservoirs is obtained.The evolution of the nonlocality among the atoms or the reservoirs depends on the choice of the atom detuning from the cavity pseudomode, the cavity pseudomode decay and the rotation angles. For the small pseudomode decay in the near-resonance regime, the initial atomic nonlocality is completely transferred to the reservoirs ultimately.

  11. Kinetics of Atom Transfer Radical Polymerization of Methyl Methacrylate Initiated by Cellulose Chloroacetate in BMIMCI

    Institute of Scientific and Technical Information of China (English)

    LIN Chun-xiang; ZHAN Huai-yu; LIU Ming-hua; FU Shi-yu; LUCIA Lucian

    2013-01-01

    The kinetics of atom transfer radical polymerization(ATRP) of methyl methacrylate(MMA) initiated by cellulose based macroinitator,cellulose chloroacetate,performed in ionic liquid(1-N-butyl-3-methylimidazolium chloride,BMIMCl),dimethyl sulfoxide(DMSO) and dimethyl formamide(DMF) were respectively studied in detail.The polymerizations were carried out under homogeneous conditions with CuBr as catalyst and 2,2'-bipyridine(bpy)as ligand.The dependences of the rate of polymerization on solvent,temperature,monomer/initiator ratio and catalyst/ligand ratio were presented.Plots of ln([M]0/[M]t) vs.time and molecular weight vs.conversion showed a linear dependence,indicating a constant number of propagating species throughout the polymerization as well as a negligible contribution of termination or transfer reactions.On the basis of an Arrhenius plot,the apparent energy of activation(△Eaapp) for ATRP of MMA in BMIMC1 was 16.6 kJ/mol which is much lower than that in diphenyl ether.

  12. A transferable force field for CdS-CdSe-PbS-PbSe solid systems

    NARCIS (Netherlands)

    Fan, Zhaochuan; Koster, Rik S.; Wang, Shuaiwei; Fang, Changming; Yalcin, Anil O.; Tichelaar, Frans D.; Zandbergen, Henny W.; van Huis, Marijn A.; Vlugt, Thijs J. H.

    2014-01-01

    A transferable force field for the PbSe-CdSe solid system using the partially charged rigid ion model has been successfully developed and was used to study the cation exchange in PbSe-CdSe heteronanocrystals [A. O. Yalcin et al., "Atomic resolution monitoring of cation exchange in CdSe-PbSe heterona

  13. An improved experimental databank of transferable multipolar atom models--ELMAM2. Construction details and applications.

    Science.gov (United States)

    Domagała, Sławomir; Fournier, Bertrand; Liebschner, Dorothee; Guillot, Benoît; Jelsch, Christian

    2012-05-01

    ELMAM2 is a generalized and improved library of experimentally derived multipolar atom types. The previously published ELMAM database is restricted mostly to protein atoms. The current database is extended to common functional groups encountered in organic molecules and is based on optimized local axes systems taking into account the local pseudosymmetry of the molecular fragment. In this approach, the symmetry-restricted multipoles have zero populations, while others take generally significant values. The various applications of the database are described. The deformation electron densities, electrostatic potentials and interaction energies calculated for several tripeptides and aromatic molecules are calculated using ELMAM2 electron-density parameters and compared with the former ELMAM database and density functional theory calculations.

  14. Optical bistability and multistability via atomic coherence in the quasi-Λ-type atomic system

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The steady-state optical bistability(OB) and optical multistability(OM) behavior in the quasi——type atomic system driven by a probe field and a coherent coupling field inside a unidirectional ring cavity are shown,and the effects of coupling-field detuning and coupling-field intensity on the OB and OM behavior are investigated. The transition from OB to OM or vice versa is found by varying the detuning of the coherent coupling field or by adjusting the intensity of the coupling field. The influence of the atomic cooperation parameter on the OM behavior is also discussed.

  15. Atomic charge transfer-counter polarization effects determine infrared CH intensities of hydrocarbons: a quantum theory of atoms in molecules model.

    Science.gov (United States)

    Silva, Arnaldo F; Richter, Wagner E; Meneses, Helen G C; Bruns, Roy E

    2014-11-14

    Atomic charge transfer-counter polarization effects determine most of the infrared fundamental CH intensities of simple hydrocarbons, methane, ethylene, ethane, propyne, cyclopropane and allene. The quantum theory of atoms in molecules/charge-charge flux-dipole flux model predicted the values of 30 CH intensities ranging from 0 to 123 km mol(-1) with a root mean square (rms) error of only 4.2 km mol(-1) without including a specific equilibrium atomic charge term. Sums of the contributions from terms involving charge flux and/or dipole flux averaged 20.3 km mol(-1), about ten times larger than the average charge contribution of 2.0 km mol(-1). The only notable exceptions are the CH stretching and bending intensities of acetylene and two of the propyne vibrations for hydrogens bound to sp hybridized carbon atoms. Calculations were carried out at four quantum levels, MP2/6-311++G(3d,3p), MP2/cc-pVTZ, QCISD/6-311++G(3d,3p) and QCISD/cc-pVTZ. The results calculated at the QCISD level are the most accurate among the four with root mean square errors of 4.7 and 5.0 km mol(-1) for the 6-311++G(3d,3p) and cc-pVTZ basis sets. These values are close to the estimated aggregate experimental error of the hydrocarbon intensities, 4.0 km mol(-1). The atomic charge transfer-counter polarization effect is much larger than the charge effect for the results of all four quantum levels. Charge transfer-counter polarization effects are expected to also be important in vibrations of more polar molecules for which equilibrium charge contributions can be large.

  16. Narrow linewidth single laser source system for onboard atom interferometry

    CERN Document Server

    Theron, Fabien; Renon, Geoffrey; Bidel, Yannick; Zahzam, Nassim; Cadoret, Malo; Bresson, Alexandre

    2014-01-01

    We present an original compact and robust laser system for atom interferometry based on a frequency-doubled telecom laser. Thanks to an original stabilization architecture on a saturated absorption, we obtain a frequency agile laser system allowing fast tuning of the laser frequency over 1 GHz in few ms using only a single laser source. The different laser frequencies used for atom interferometry are created by changing dynamically the frequency of the laser and by creating sidebands using a phase modulator. We take advantage of the maturity of fiber telecom technology to reduce the number of free-space optical components, which are intrinsically less stable, and to make the setup compact, much less sensitive to vibrations and thermal fluctuations. This source provides spectral linewidth below 2.5 kHz required for precision atom interferometry, and particularly for an high performance atomic inertial sensor.

  17. Demonstration of the approximation of eliminating atomic excited populations in an atom-cavity system

    Institute of Scientific and Technical Information of China (English)

    Zhang Yu-Qing; Huang Gang; Tan Lei

    2012-01-01

    Using the master equation approach to a V-type three-level atom inside a high-finesse single-mode cavity in the strong coupling condition,we demonstrate the approximation of eliminating populations of atomic excited states,which is widely used in the field of the atom-cavity systems [Hechenblaikner G,Gangl M,Horak P and Ritsch H 1998 Phys.Rev.A 58 3030]; Liu L W,Tan T and Xu Y 2008 J.Mod.Opt.56 968; Cho J,Angelakis D G and Bose S 2008 Phys.Rev.A 78 062338.This is reflected in the deviation of the population δ,of which the value is 10-3 ~ 10-2.We further find the deviation of the dipole force and demonstrate that the deviation of atomic population will not notably affect the dipole force of the atom in the strong coupling condition.A relevant experimental case is also presented.

  18. Miniaturized Lab System for Future Cold Atom Experiments in Microgravity

    Science.gov (United States)

    Kulas, Sascha; Vogt, Christian; Resch, Andreas; Hartwig, Jonas; Ganske, Sven; Matthias, Jonas; Schlippert, Dennis; Wendrich, Thijs; Ertmer, Wolfgang; Maria Rasel, Ernst; Damjanic, Marcin; Weßels, Peter; Kohfeldt, Anja; Luvsandamdin, Erdenetsetseg; Schiemangk, Max; Grzeschik, Christoph; Krutzik, Markus; Wicht, Andreas; Peters, Achim; Herrmann, Sven; Lämmerzahl, Claus

    2016-11-01

    We present the technical realization of a compact system for performing experiments with cold 87Rb and 39K atoms in microgravity in the future. The whole system fits into a capsule to be used in the drop tower Bremen. One of the advantages of a microgravity environment is long time evolution of atomic clouds which yields higher sensitivities in atom interferometer measurements. We give a full description of the system containing an experimental chamber with ultra-high vacuum conditions, miniaturized laser systems, a high-power thulium-doped fiber laser, the electronics and the power management. In a two-stage magneto-optical trap atoms should be cooled to the low μK regime. The thulium-doped fiber laser will create an optical dipole trap which will allow further cooling to sub- μK temperatures. The presented system fulfills the demanding requirements on size and power management for cold atom experiments on a microgravity platform, especially with respect to the use of an optical dipole trap. A first test in microgravity, including the creation of a cold Rb ensemble, shows the functionality of the system.

  19. Miniaturized Lab System for Future Cold Atom Experiments in Microgravity

    Science.gov (United States)

    Kulas, Sascha; Vogt, Christian; Resch, Andreas; Hartwig, Jonas; Ganske, Sven; Matthias, Jonas; Schlippert, Dennis; Wendrich, Thijs; Ertmer, Wolfgang; Maria Rasel, Ernst; Damjanic, Marcin; Weßels, Peter; Kohfeldt, Anja; Luvsandamdin, Erdenetsetseg; Schiemangk, Max; Grzeschik, Christoph; Krutzik, Markus; Wicht, Andreas; Peters, Achim; Herrmann, Sven; Lämmerzahl, Claus

    2017-02-01

    We present the technical realization of a compact system for performing experiments with cold 87Rb and 39K atoms in microgravity in the future. The whole system fits into a capsule to be used in the drop tower Bremen. One of the advantages of a microgravity environment is long time evolution of atomic clouds which yields higher sensitivities in atom interferometer measurements. We give a full description of the system containing an experimental chamber with ultra-high vacuum conditions, miniaturized laser systems, a high-power thulium-doped fiber laser, the electronics and the power management. In a two-stage magneto-optical trap atoms should be cooled to the low μK regime. The thulium-doped fiber laser will create an optical dipole trap which will allow further cooling to sub- μK temperatures. The presented system fulfills the demanding requirements on size and power management for cold atom experiments on a microgravity platform, especially with respect to the use of an optical dipole trap. A first test in microgravity, including the creation of a cold Rb ensemble, shows the functionality of the system.

  20. System Transfer, Education, and Development in Mozambique

    Directory of Open Access Journals (Sweden)

    Jose Cossa

    2011-03-01

    Full Text Available In this study the author used conceptual historical method to assess the phenomenon of system transfer and the association between education and development in Mozambique. The assessment was administered through critical analysis of documents pertaining to the Salazar (1924-1966, Machel (1975-1986, and Chissano (1986-2005 administrations. The findings were that (a the colonial government created economic and educational systems for colonizing Mozambique, whereas the Machel and Chissano administrations adapted foreign systems of government and education (i.e., Socialism, Soviet, Democracy, Portuguese, etc., to their particular context without altering the inherent theoretical basis of the systems transferred; (b the Machel and Chissano administrations, implicitly or explicitly, perceived the relationship between education and development as circular causality rather than a unidirectional linear causality, while the Salazar administration perceived it as unidirectional linear causality; and (c while the Machel and Chissano administrations focused on primary education, literacy campaigns, and education of women and girls, they differed in the reasons for such focus.

  1. General model of depolarization and transfer of polarization of singly ionized atoms by collisions with hydrogen atoms

    Science.gov (United States)

    Derouich, M.

    2017-02-01

    Simulations of the generation of the atomic polarization is necessary for interpreting the second solar spectrum. For this purpose, it is important to rigorously determine the effects of the isotropic collisions with neutral hydrogen on the atomic polarization of the neutral atoms, ionized atoms and molecules. Our aim is to treat in generality the problem of depolarizing isotropic collisions between singly ionized atoms and neutral hydrogen in its ground state. Using our numerical code, we computed the collisional depolarization rates of the p-levels of ions for large number of values of the effective principal quantum number n* and the Unsöld energy Ep. Then, genetic programming has been utilized to fit the available depolarization rates. As a result, strongly non-linear relationships between the collisional depolarization rates, n* and Ep are obtained, and are shown to reproduce the original data with accuracy clearly better than 10%. These relationships allow quick calculations of the depolarizing collisional rates of any simple ion which is very useful for the solar physics community. In addition, the depolarization rates associated to the complex ions and to the hyperfine levels can be easily derived from our results. In this work we have shown that by using powerful numerical approach and our collisional method, general model giving the depolarization of the ions can be obtained to be exploited for solar applications.

  2. Verification measurements of the Karoo Array timing system: a laser radar based time transfer system

    Science.gov (United States)

    Siebrits, R.; Bauermeister, E.; Gamatham, R.; Adams, G.; Malan, J. A.; Burger, J. P.; Kapp, F.; Gibbon, T.; Kriel, H.; Abbott, T.

    2016-02-01

    An optical fiber based laser radar time transfer system has been developed for the 64-dish MeerKAT radiointerferometer telescope project to provide accurate atomic time to the receivers of the telescope system. This time transfer system is called the Karoo Array Timing System (KATS). Calibration of the time transfer system is essential to ensure that time is accurately transferred to the digitisers that form part of the receivers. Frequency domain reflectometry via vector network analysers is also used to verify measurements taken using time interval counters. This paper details the progress that is made in the verification measurements of the system in order to ensure that time, accurate to within a few nanoseconds of the Universal Coordinated Time (UTC, is available at the point where radio signals from astronomical sources are received. This capability enables world class transient and timing studies with a compact radio interferometer, which has inherent advantages over large single dish radio-telescopes, in observing the transient sky.

  3. ANISOTROPY EFFECTS IN SINGLE-ELECTRON TRANSFER BETWEEN LASER-EXCITED ATOMS AND HIGHLY-CHARGED IONS

    NARCIS (Netherlands)

    1995-01-01

    Recent collision experiments are reviewed in which one-electron transfer between laser excited target atoms and (highly charged) keV-ions has been studied. Especially results showing a dependence of the charge exchange on the initial target orbital alignment are discussed. The question to what exten

  4. Single crystal to single crystal transformation and hydrogen-atom transfer upon oxidation of a cerium coordination compound.

    Science.gov (United States)

    Williams, Ursula J; Mahoney, Brian D; Lewis, Andrew J; DeGregorio, Patrick T; Carroll, Patrick J; Schelter, Eric J

    2013-04-15

    Trivalent and tetravalent cerium compounds of the octamethyltetraazaannulene (H2omtaa) ligand have been synthesized. Electrochemical analysis shows a strong thermodynamic preference for the formal cerium(IV) oxidation state. Oxidation of the cerium(III) congener Ce(Homtaa)(omtaa) occurs by hydrogen-atom transfer that includes a single crystal to single crystal transformation upon exposure to an ambient atmosphere.

  5. Versatile procedure for site-specific grafting of polymer brushes on patchy particles via atom transfer radical polymerization (ATRP)

    NARCIS (Netherlands)

    Van Ravensteijn, Bas G P; Kegel, Willem K.

    2016-01-01

    We report the preparation of chemically anisotropic colloidal dumbbells of which one lobe is functionalized with chemical handles in the form of chlorine groups. The chlorines are easily converted to azides and subsequently to active initiators for Atom Transfer Radical Polymerization (ATRP) by Clic

  6. Ion conducting solid polymer electrolytes based on polypentafluorostyrene-b-polyether-b-polypentafluorostyrene prepared by atom transfer radical polymerization

    DEFF Research Database (Denmark)

    Jankova, Katja; Jannasch, P.; Hvilsted, Søren

    2004-01-01

    Novel triblock copolymers based on central poly( ethylene glycol) ( PEG) or poly( ethylene glycol-co-propylene glycol) (PEGPG) blocks with poly( pentafluorostyrene) (PFS) outer blocks were prepared by Atom Transfer Radical Polymerization (ATRP) with polydispersities on the order of 1.2 - 1...

  7. Fiber laser system for cesium and rubidium atom interferometry

    CERN Document Server

    Diboune, Clément; Bidel, Yannick; Cadoret, Malo; Bresson, Alexandre

    2016-01-01

    We present an innovative fiber laser system for both cesium and rubidium manipulation. The architecture is based on frequency conversion of two lasers at 1560 nm and 1878 nm. By taking advantage of existing fiber components at these wavelengths, we demonstrate an all fiber laser system delivering 350 mW at 780 nm for rubidium and 210 mW at 852 nm for cesium. This result highlights the promising nature of such laser system especially for Cs manipulation for which no fiber laser system has been reported. It offers new perspectives for the development of atomic instruments dedicated to onboard applications and opens the way to a new generation of atom interferometers involving three atomic species $^{85}$Rb, $^{87}$Rb and $^{133}$Cs for which we propose an original laser architecture.

  8. Miniaturized lab system for future cold atom experiments in microgravity

    CERN Document Server

    Kulas, Sascha; Resch, Andreas; Hartwig, Jonas; Ganske, Sven; Matthias, Jonas; Schlippert, Dennis; Wendrich, Thijs; Ertmer, Wolfgang; Rasel, Ernst Maria; Damjanic, Marcin; Weßels, Peter; Kohfeldt, Anja; Luvsandamdin, Erdenetsetseg; Schiemangk, Max; Grzeschik, Christoph; Krutzik, Markus; Wicht, Andreas; Peters, Achim; Herrmann, Sven; Lämmerzahl, Claus

    2016-01-01

    We present the technical realization of a compact system for performing experiments with cold $^{87}{\\text{Rb}}$ and $^{39}{\\text{K}}$ atoms in microgravity in the future. The whole system fits into a capsule to be used in the drop tower Bremen. One of the advantages of a microgravity environment is long time evolution of atomic clouds which yields higher sensitivities in atom interferometer measurements. We give a full description of the system containing an experimental chamber with ultra-high vacuum conditions, miniaturized laser systems, a high-power thulium-doped fiber laser, the electronics and the power management. In a two-stage magneto-optical trap atoms should be cooled to the low $\\mu$K regime. The thulium-doped fiber laser will create an optical dipole trap which will allow further cooling to sub-$\\mu$K temperatures. The presented system fulfills the demanding requirements on size and power management for cold atom experiments on a microgravity platform, especially with respect to the use of an op...

  9. Transferable aspherical atom model refinement of protein and DNA structures against ultrahigh-resolution X-ray data.

    Science.gov (United States)

    Malinska, Maura; Dauter, Zbigniew

    2016-06-01

    In contrast to the independent-atom model (IAM), in which all atoms are assumed to be spherical and neutral, the transferable aspherical atom model (TAAM) takes into account the deformed valence charge density resulting from chemical bond formation and the presence of lone electron pairs. Both models can be used to refine small and large molecules, e.g. proteins and nucleic acids, against ultrahigh-resolution X-ray diffraction data. The University at Buffalo theoretical databank of aspherical pseudo-atoms has been used in the refinement of an oligopeptide, of Z-DNA hexamer and dodecamer duplexes, and of bovine trypsin. The application of the TAAM to these data improves the quality of the electron-density maps and the visibility of H atoms. It also lowers the conventional R factors and improves the atomic displacement parameters and the results of the Hirshfeld rigid-bond test. An additional advantage is that the transferred charge density allows the estimation of Coulombic interaction energy and electrostatic potential.

  10. Wireless Power Transfer system : Development and Implementation

    OpenAIRE

    2015-01-01

    The goal of the project was to develop a Wireless Power Transfer (WPT) System and implement it in innovative flooring. The project was done at NextFloor Oy, a company based in Helsinki, Finland. At the moment, Wireless Power Transmission is in the forefront of electronics research, which is why this study started as an initial attempt to investigate WPT in order to keep up with the fast growing industry. The main steps of the project were to study the physics behind wireless electricity t...

  11. Method and system for continuous atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Elam, Jeffrey W.; Yanguas-Gil, Angel; Libera, Joseph A.

    2017-03-21

    A system and method for continuous atomic layer deposition. The system and method includes a housing, a moving bed which passes through the housing, a plurality of precursor gases and associated input ports and the amount of precursor gases, position of the input ports, and relative velocity of the moving bed and carrier gases enabling exhaustion of the precursor gases at available reaction sites.

  12. Ultracold atoms for simulation of many body quantum systems

    Science.gov (United States)

    Hutchinson, David A. W.

    2017-01-01

    Feynman famously proposed simulating quantum physics using other, better controlled, quantum systems. This vision is now a reality within the realm of ultracold atomic physics. We discuss how these systems can be used to simulate many body physics, concentrating the Berezinskii-Kosterlitz-Thouless transition in 2D physics and the role of disorder.

  13. Cost-Effective Systems for Atomic Layer Deposition

    Science.gov (United States)

    Lubitz, Michael; Medina, Phillip A., IV; Antic, Aleks; Rosin, Joseph T.; Fahlman, Bradley D.

    2014-01-01

    Herein, we describe the design and testing of two different home-built atomic layer deposition (ALD) systems for the growth of thin films with sub-monolayer control over film thickness. The first reactor is a horizontally aligned hot-walled reactor with a vacuum purging system. The second reactor is a vertically aligned cold-walled reactor with a…

  14. Theoretical Study of Electron Transfer in Bimolecular System of NH3 and H2O

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Mulliken, NPA, MK and CHelpG population analyses have been accomplished at the level of MP2/6-31G(d,p) for the title system. The variations of four kinds of charges on NH3 with intermolecular distance infer that electron transfers from NH3 to H2O. MK and CHelpG population analyses indicate more electron transfer than Mulliken and NPA ones. The atomic charges resulted from MK and CHelpG schemes infer that electron transfers from N in NH3 to H in H2O, which confirms that this bimolecular complex possesses linear structure as H3N…HOH.

  15. The transfer of tin and germanium atoms from N-heterocyclic stannylenes and germylenes to diazadienes.

    Science.gov (United States)

    Gans-Eichler, Timo; Gudat, Dietrich; Nättinen, Kalle; Nieger, Martin

    2006-01-23

    New N-heterocyclic stannylenes and germylenes were synthesized by transamination of E[N(SiMe3)2] (E = Ge, Sn) with alpha-amino-aldimines or ethylidene-1,2-diamines and were characterized by spectroscopic methods and in the case of the germylene 10 g by X-ray diffraction. The reactions of several germylenes and stannylenes with diazadienes were studied by using dynamic NMR and computational methods. Experimental and theoretical studies confirmed that metathesis with exchange of the Group 14 atom is feasible for both stannylenes and germylenes, with exchange rates being generally higher for stannylenes. The metathesis of the diazadiene 3 b and the stannylene 1 b follows second-order kinetics and exhibits a sizeable negative entropy of activation. The transfer reaction is inhibited by bulky substituents in both reactants and surprisingly coincides with a suppression of the fragmentation of the stannylene into tin and diazadiene. A connection between oxidative addition and ring fragmentation was also observed in the reaction of 1 f with sulfur. Density functional theory (DFT) calculations suggest that all metathesis reactions proceed via transient spirocyclic [1+4] cycloaddition products, the formation of which is generally endothermic and endergonic. The spirostannanes display a distorted Psi-tbp geometry at the tin atom and their cycloreversion requires low or nearly negligible activation energies; spirogermanes exhibit distorted tetrahedral central atoms and sizeable energy barriers with respect to the same reaction. Complementary studies of cycloadditions of diazadienes to triplet germylenes or stannylenes indicate that these reactions are exothermic. The lowest triplet state in the carbene homologues results from promotion of an electron from an n(N) orbital with pi character rather than the n(C)-sigma orbital as in carbenes, and singlet-triplet excitation energies decrease from carbon to tin. Spirostannanes exhibit a triplet ground-state multiplicity that implies

  16. Resonant charge transfer of hydrogen Rydberg atoms incident at a Cu(100) projected band-gap surface

    CERN Document Server

    Gibbard, J A; Kohlhoff, M; Rennick, C J; So, E; Ford, M; Softley, T P

    2015-01-01

    The charge transfer (ionization) of hydrogen Rydberg atoms (principal quantum number $n=25-34$) incident at a Cu(100) surface is investigated. Unlike fully metallic surfaces, where the Rydberg electron energy is degenerate with the conduction band of the metal, the Cu(100) surface has a projected bandgap at these energies, and only discrete image states are available through which charge transfer can take place. Resonant enhancement of charge transfer is observed at hydrogen principal quantum numbers for which the Rydberg energy matches the energy of one of the image states. The integrated surface ionization signals show clear periodicity as the energies of states with increasing $n$ come in and out of resonance with the image states. The velocity dependence of the surface ionization dynamics is also investigated. Decreased velocity of the incident H atom leads to a greater mean distance of ionization and a lower field required to extract the ion. The surface-ionization profiles (signal versus applied field) ...

  17. 46 CFR 153.430 - Heat transfer systems; general.

    Science.gov (United States)

    2010-10-01

    ... 46 Shipping 5 2010-10-01 2010-10-01 false Heat transfer systems; general. 153.430 Section 153.430... Temperature Control Systems § 153.430 Heat transfer systems; general. Each cargo cooling system required by... separated from all other cooling and heating systems; and (c) Allow manual regulation of the system's...

  18. Customized atomic force microscopy probe by focused-ion-beam-assisted tip transfer

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Andrew; Butte, Manish J., E-mail: manish.butte@stanford.edu [Department of Pediatrics, Division of Immunology, Allergy and Rheumatology, Stanford University, Stanford, California 94305 (United States)

    2014-08-04

    We present a technique for transferring separately fabricated tips onto tipless atomic force microscopy (AFM) cantilevers, performed using focused ion beam-assisted nanomanipulation. This method addresses the need in scanning probe microscopy for certain tip geometries that cannot be achieved by conventional lithography. For example, in probing complex layered materials or tall biological cells using AFM, a tall tip with a high-aspect-ratio is required to avoid artifacts caused by collisions of the tip's sides with the material being probed. We show experimentally that tall (18 μm) cantilever tips fabricated by this approach reduce squeeze-film damping, which fits predictions from hydrodynamic theory, and results in an increased quality factor (Q) of the fundamental flexural mode. We demonstrate that a customized tip's well-defined geometry, tall tip height, and aspect ratio enable improved measurement of elastic moduli by allowing access to low-laying portions of tall cells (T lymphocytes). This technique can be generally used to attach tips to any micromechanical device when conventional lithography of tips cannot be accomplished.

  19. Functionalization of nylon membranes via surface-initiated atom-transfer radical polymerization.

    Science.gov (United States)

    Xu, F J; Zhao, J P; Kang, E T; Neoh, K G; Li, J

    2007-07-31

    The ability to manipulate and control the surface properties of nylons is of crucial importance to their widespread applications. In this work, surface-initiated atom-transfer radical polymerization (ATRP) is employed to tailor the functionality of the nylon membrane and pore surfaces in a well-controlled manner. A simple two-step method, involving the activation of surface amide groups with formaldehyde and the reaction of the resulting N-methylol polyamide with 2-bromoisobutyryl bromide, was first developed for the covalent immobilization of ATRP initiators on the nylon membrane and its pore surfaces. Functional polymer brushes of 2-hydroxyethyl methacrylate (HEMA) and poly(ethylene glycol)monomethacrylate (PEGMA) were prepared via surface-initiated ATRP from the nylon membranes. A kinetics study revealed that the chain growth from the membranes was consistent with a "controlled" process. The dormant chain ends of the grafted HEMA polymer (P(HEMA)) and PEGMA polymer (P(PEGMA)) on the nylon membranes could be reactivated for the consecutive surface-initiated ATRP to produce the corresponding nylon membranes functionalized by P(HEMA)-b-P(PEGMA) and P(PEGMA)-b-P(HEMA) diblock copolymer brushes. In addition, membranes with grafted P(HEMA) and P(PEGMA) brushes exhibited good resistance to protein adsorption and fouling under continuous-flow conditions.

  20. Colorful Polyelectrolytes: An Atom Transfer Radical Polymerization Route to Fluorescent Polystyrene Sulfonate.

    Science.gov (United States)

    Huberty, Wayne; Tong, Xiaowei; Balamurugan, Sreelatha; Deville, Kyle; Russo, Paul S; Zhang, Donghui

    2016-03-01

    A labeled green fluorescent polystyrene sulfonate (LNaPSS) has been synthesized using atom transfer radical polymerization of a styrene sulfonate monomer with a fluorescent co-monomer, fluorescein thiocyanate-vinyl aniline. As a result this 100 % sulfonated polymer contains no hydrophobic patches along the chain backbone besides the fluorescent marker itself. The concentration of the fluorescent monomer was kept low to maintain the characteristic properties of the anionic polyelectrolyte, LNaPSS. ATRP conditions facilitated the production of polymers spanning a range of molecular weights from 35,000 to 175,000 in gram-scale batches with polydispersity indices of 1.01-1.24. Molecular weight increased with the monomer to initiator ratio. Gel permeation chromatography results show a unimodal distribution, and the polymer structure was also confirmed by (1)H NMR and FT-IR spectroscopy. Fluorescence spectroscopy confirmed covalent bonding of fluorescein isothiocyanate to the polymer, indicating that the polymer is suitable as a probe in fluorescence microscopy. To demonstrate this ability, the polymer was used to locate structural features in salt crystals formed during drying, as in the evaporation of sea mist. A second application to probe diffusion studies is also demonstrated.

  1. Controlled synthesis of photochromic polymer brushes by atom transfer radical polymerization.

    Energy Technology Data Exchange (ETDEWEB)

    Piech, Marcin; Bell, Nelson Simmons; Long, Timothy Michael

    2005-06-01

    This work reports on the grafting of methyl methacrylate polymer brushes containing spirobenzopyran pendant groups from flat silica surfaces and colloidal particles utilizing atom transfer radical polymerization (ATRP). The reaction conditions were optimized with respect to the kind of surface bound initiator, the type of halide and ligand used in the catalytic complex, the presence/absence of untethered initiator, and solvent type. This enabled synthesis of coatings up to 80 {+-} 3 nm thick with controlled spirobenzopyran content. While polymerization kinetics indicate the presence of chain termination reactions, the 'living' character of the process is confirmed by controlled formation of block copolymer brushes. UV/vis spectroscopy was used to characterize the UV-induced isomerization of spirobenzopyran to zwitterionic merocyanine and the thermal back-reaction. Spectral and kinetic analyses of this latter bleaching process points to the existence of free and associated merocyanines in the polymeric brush in both tetrahydrofuran and toluene. However, stabilization of merocyanine species by the polymer matrix is considerably greater in toluene with thermal back-reaction rates approaching those determined for solid dry films.

  2. Removal of cefalexin using yeast surface-imprinted polymer prepared by atom transfer radical polymerization.

    Science.gov (United States)

    Li, Xiuxiu; Pan, Jianming; Dai, Jiangdong; Dai, Xiaohui; Ou, Hongxiang; Xu, Longcheng; Li, Chunxiang; Zhang, Rongxian

    2012-10-01

    The first use of yeast as a support in the molecular imprinting field combined with atom transfer radical polymerization was described. Then, the as-prepared molecularly imprinted polymers were characterized by Fourier transmission infrared spectrometry, scanning electron microscope, thermogravimetric analysis, and elemental analysis. The obtained imprinted polymers demonstrated elliptical-shaped particles with the thickness of imprinting layer of 0.63 μm. The batch mode experiments were adopted to investigate the adsorption equilibrium, kinetics, and selectivity. The kinetic properties of imprinted polymers were well described by the pseudo-second-order kinetic equation, indicating the chemical process was the rate-limiting step for the adsorption of cefalexin (CFX). The equilibrium data were well fitted by the Freundlich isotherm, and the multimolecular layers adsorption capacity of imprinted polymers was 34.07 mg g(-1) at 298 K. The selectivity analysis suggested that the imprinted polymers exhibited excellent selective recognition for CFX in the presence of other compounds with related structure. Finally, the analytical method based on the imprinted polymers extraction coupled with high-performance liquid chromatograph was successfully used for CFX analysis in spiked pork and water samples.

  3. Constructing Functional Ionic Membrane Surface by Electrochemically Mediated Atom Transfer Radical Polymerization

    Directory of Open Access Journals (Sweden)

    Fen Ran

    2016-01-01

    Full Text Available The sodium polyacrylate (PAANa contained polyethersulfone membrane that was fabricated by preparation of PES-NH2 via nonsolvent phase separation method, the introduction of bromine groups as active sites by grafting α-Bromoisobutyryl bromide, and surface-initiated electrochemically atom transfer radical polymerization (SI-eATRP of sodium acrylate (AANa on the surface of PES membrane. The polymerization could be controlled by reaction condition, such as monomer concentration, electric potential, polymerization time, and modifier concentration. The membrane surface was uniform when the monomer concentration was 0.9 mol/L, the electric potential was −0.12 V, the polymerization time was 8 h, and the modifier concentration was 2 wt.%. The membrane showed excellent hydrophilicity and blood compatibility. The water contact angle decreased from 84° to 68° and activated partial thromboplastin increased from 51 s to 84 s after modification of the membranes.

  4. Formation of hyperbranched polymers in atom transfer radical copolymerization of MMA and DVB

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Hyperbranched poly(methyl methacrylate)s (HPMMAs) have been successfully prepared by atom transfer radical copolymerization of MMA and divinylbenzene (DVB).Kinetic study shows complete consumption of the initiator in 0.5 h,and relatively low polymerization rate when DVB content in the feed was high.By analyzing MALDI-TOF spectra of the resulting copolymers,the linear A n B (n=0,1,2,3) oligomers were formed in 0.5 h of polymerization,and then the oligomers reacted each other to form dimers,further reactions produced HPMMA.The SEC and NMR spectroscopies were used to trace the polymerization,and the results demonstrate that small amount of the branching reactions occur in the initial polymerization,and the branched polymers are significantly generated past a certain conversion depending upon the feed ratios.Raising the content of DVB in the monomer mixture can increase the pendent vinyl groups of the linear oligo-inimers,leading to gelation at low MMA conversion.

  5. Surface modification of nanodiamond through metal free atom transfer radical polymerization

    Science.gov (United States)

    Zeng, Guangjian; Liu, Meiying; Shi, Kexin; Heng, Chunning; Mao, Liucheng; Wan, Qing; Huang, Hongye; Deng, Fengjie; Zhang, Xiaoyong; Wei, Yen

    2016-12-01

    Surface modification of nanodiamond (ND) with poly(2-methacryloyloxyethyl phosphorylcholine) [poly(MPC)] has been achieved by using metal free surface initiated atom transfer radical polymerization (SI-ATRP). The ATRP initiator was first immobilized on the surface of ND through direct esterification reaction between hydroxyl group of ND and 2-bromoisobutyryl bromide. The initiator could be employed to obtain ND-poly(MPC) nanocomposites through SI-ATRP using an organic catalyst. The final functional materials were characterized by 1H nuclear magnetic resonance, transmission electron microscopy, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy and thermo gravimetric analysis in detailed. All of these characterization results demonstrated that ND-poly(MPC) have been successfully obtained via metal free photo-initiated SI-ATRP. The ND-poly(MPC) nanocomposites shown enhanced dispersibility in various solvents as well as excellent biocompatibility. As compared with traditional ATRP, the metal free ATRP is rather simple and effective. More importantly, this preparation method avoided the negative influence of metal catalysts. Therefore, the method described in this work should be a promising strategy for fabrication of polymeric nanocomposites with great potential for different applications especially in biomedical fields.

  6. Towards a Negative Refractive Index in an Atomic System

    Science.gov (United States)

    Simmons, Zach; Brewer, Nick; Yavuz, Deniz

    2014-05-01

    The goal of our experiments is to obtain a negative index of refraction in the optical region of the spectrum using an atomic system. The concept of negative refraction, which was first predicted by Veselago more than four decades ago, has recently emerged as a very exciting field of science. Negative index materials exhibit many seemingly strange properties such as electromagnetic vectors forming a left-handed triad. A key potential application for these materials was discovered in 2000 when Pendry predicted that a slab with a negative refractive index can image objects with a resolution far better than the diffraction limit. Thus far, research in negative index materials has primarily focused on meta-materials. The fixed response and often large absorption of these engineered materials motivates our efforts to work in an atomic system. An atomic media offers the potential to be actively modified, for example by changing laser parameters, and can be tuned to cancel absorption. A doped crystal allows for high atomic densities compared to other atomic systems. So far we have identified a transition in such a material, Eu:YSO, as a candidate for these experiments and are performing spectroscopy on this material.

  7. Narrow linewidth single laser source system for onboard atom interferometry

    Science.gov (United States)

    Theron, Fabien; Carraz, Olivier; Renon, Geoffrey; Zahzam, Nassim; Bidel, Yannick; Cadoret, Malo; Bresson, Alexandre

    2015-01-01

    A compact and robust laser system for atom interferometry based on a frequency-doubled telecom laser is presented. Thanks to the original stabilization architecture on a saturated absorption setup, we obtain a frequency agile laser system allowing fast tuning of the laser frequency over 1 GHz in few ms using a single laser source. The different laser frequencies used for atom interferometry are generated by changing dynamically the frequency of the laser and by creating sidebands using a phase modulator. A laser system for Rubidium 87 atom interferometry using only one laser source based on a frequency-doubled telecom fiber bench is then built. We take advantage of the maturity of fiber telecom technology to reduce the number of free-space optical components (which are intrinsically less stable) and to make the setup compact and much less sensitive to vibrations and thermal fluctuations. This source provides spectral linewidth below 2.5 kHz, which is required for precision atom interferometry and particularly for a high performance atomic inertial sensor.

  8. Universal three-body parameter in heteronuclear atomic systems

    CERN Document Server

    Wang, Yujun; D'Incao, J P; Greene, Chris H

    2012-01-01

    A three-body parameter (3BP) defines the energy spectrum of three particles when the Efimov effect arises. Until recently, it had been widely agreed that this parameter should not be universal. Our present study further predicts a universal 3BP for heteronuclear atomic systems near broad Feshbach resonances. In particular, we show for a system of one light and two heavy atoms a universal 3BP is expected even without an effective three-body short-range repulsion. This universality is explained by the universal properties of the van der Waals interactions in a simple Born-Oppenheimer (BO) picture. Finally, we show the numerically determined 3BPs for some combination of alkali atoms used in ultracold experiments.

  9. Absolute rate constants for hydrogen atom transfer from tertiary amides to the cumyloxyl radical: evaluating the role of stereoelectronic effects.

    Science.gov (United States)

    Salamone, Michela; Milan, Michela; DiLabio, Gino A; Bietti, Massimo

    2014-08-01

    A time-resolved kinetic study of the hydrogen atom transfer (HAT) reactions from a series of alkanamides to the cumyloxyl radical (CumO(•)) was carried out. With N,N-dialkylformamides HAT preferentially occurs from the formyl C-H bond, while in N-formylpyrrolidine HAT mostly occurs from the ring α-C-H bonds. With the acetamides and the alkanamides almost exclusive HAT from the C-H bonds that are α to nitrogen was observed. The results obtained show that alignment between the C-H bond being broken and the amide π-system can lead to significant increases in the HAT rate constant (kH). This finding points toward the important role of stereoelectronic effects on the HAT reactivity and selectivity. The highest kH values were measured for the reactions of CumO(•) with N-acylpyrrolidines. These substrates have ring α-C-H bonds that are held in a conformation that is optimally aligned with the amide π-system, thus allowing for the relatively facile HAT reaction. The lowest kH value was measured for the reaction of N,N-diisobutylacetamide, wherein the steric bulk associated with the N-isobutyl groups increases the energy barrier required to reach the most suitable conformation for HAT. The experimental results are well supported by the computed BDEs for the C-H bonds of the most representative substrates.

  10. Entanglement between two atoms in the system of Schr(o)dinger cat state interacting with two entangled atoms

    Institute of Scientific and Technical Information of China (English)

    Liu Tang-Kun

    2007-01-01

    By the negative eigenvalues of partial transposition of density matrix, this paper investigates the time evolution of entanglement of the two entangled atoms in the system of two atoms interacting with Schr(o)dinger cat state. The result shows that the two atoms are always in the entanglement state, and the degree of entanglement between the two atoms exhibits ordinary collapses and revivals at 0.2 degree of entanglement, when the light field is large enough. On the other hand, the reinforcement of three different light fields on the degree of entanglement between two atoms is not evident.

  11. Hydrogen-atom transfer reactions from ortho-alkoxy-substituted phenols: an experimental approach.

    Science.gov (United States)

    Amorati, Riccardo; Menichetti, Stefano; Mileo, Elisabetta; Pedulli, Gian Franco; Viglianisi, Caterina

    2009-01-01

    The role of intramolecular hydrogen bonding (HB) on the bond-dissociation enthalpy (BDE) of the phenolic O-H and on the kinetics of H-atom transfer to peroxyl radicals (k(inh)) of several 2-alkoxyphenols was experimentally quantified by the EPR equilibration technique and by inhibited autoxidation studies. These compounds can be regarded as useful models for studying the H-atom abstraction from 2-OR phenols, such as many lignans, reduced coenzyme Q and curcumin. The effects of the various substituents on the BDE(O-H) of 2-methoxy, 2-methoxy-4-methyl, 2,4-dimethoxyphenols versus phenol were measured in benzene solution as -1.8; -3.7; -5.4 kcal mol(-1), respectively. In the case of polymethoxyphenols, significant deviations from the BDE(O-H) values predicted by the additive effects of the substituents were found. The logarithms of the k(inh) constants in cumene were inversely related to the BDE(O-H) values, obeying a linear Evans-Polanyi plot with the same slope of other substituted phenols and a y-axis intercept slightly smaller than that of 2,6-dimethyl phenols. In the cases of phenols having the 2-OR substituent included in a five-membered condensed ring (i.e, compounds 9-11), both conformational isomers in which the OH group points toward or away from the oxygen in position 2 were detected by FTIR spectroscopy and the intramolecular HB strength was thus estimated. The contribution to the BDE(O-H) of the ortho-OR substituent in 9, corrected for intramolecular HB formation, was calculated as -5.6 kcal mol(-1). The similar behaviour of cyclic and non-cyclic ortho-alkoxy derivatives clearly showed that the preferred conformation of the OMe group in ortho-methoxyphenoxyl radicals is that in which the methyl group points away from the phenoxyl oxygen, in contrast to the geometries predicted by DFT calculations.

  12. Applications of Miniaturized Atomic Magnetic Sensors in Military Systems

    Science.gov (United States)

    2012-10-01

    exercising flight operations ( brushless DC motor running, tail avionics actuated, telemetry systems transmitting). We utilized a simple linear model to...80021 USA ABSTRACT A new generation of miniaturized ultra-high sensitivity atomic magnetometers is being developed and integrated into military...low frequency magnetometry are investigated through preliminary experimental data in addition to modeling and simulations. In particular, we discuss

  13. Quantum-Classical Connection for Hydrogen Atom-Like Systems

    Science.gov (United States)

    Syam, Debapriyo; Roy, Arup

    2011-01-01

    The Bohr-Sommerfeld quantum theory specifies the rules of quantization for circular and elliptical orbits for a one-electron hydrogen atom-like system. This article illustrates how a formula connecting the principal quantum number "n" and the length of the major axis of an elliptical orbit may be arrived at starting from the quantum…

  14. The Unique Gas-Phase Chemistry of the [AuO](+) /CH4 Couple: Selective Oxygen-Atom Transfer to, Rather than Hydrogen-Atom Abstraction from, Methane.

    Science.gov (United States)

    Zhou, Shaodong; Li, Jilai; Schlangen, Maria; Schwarz, Helmut

    2016-08-26

    The thermal reaction of [AuO](+) with methane has been explored using FT-ICR mass spectrometry complemented by high-level quantum chemical calculations. In contrast to the previously studied congener [CuO](+) , and to [AgO](+) , [AuO](+) reacts with CH4 exclusively via oxygen-atom transfer to form CH3 OH, and a novel mechanistic scenario for this selective oxidation process has been revealed. Also, the origin of the inertness of the [AgO](+) /CH4 couple has been addressed computationally.

  15. Transfer of spin squeezing and particle entanglement between atoms and photons in coupled cavities via two-photon exchange

    OpenAIRE

    Hardal, Ali Ümit Cemal; Müstecaplıoğlu, Özgür E.

    2012-01-01

    Transfer of spin squeezing and particle entanglement between atoms and photons in coupled cavities via two-photon exchange Ali Ü. C. Hardal and Özgür E. Müstecaplıoğlu* Department of Physics, Koç University, Sarıyer, Istanbul 34450, Turkey *Corresponding author: Received March 15, 2012; revised May 19, 2012; accepted May 20, 2012; posted May 22, 2012 (Doc. ID 164811); published June 27, 2012 We examine transfer of particle entanglement and spin sque...

  16. Slow hydrogen atom transfer reactions of oxo- and hydroxo-vanadium compounds: the importance of intrinsic barriers.

    Science.gov (United States)

    Waidmann, Christopher R; Zhou, Xin; Tsai, Erin A; Kaminsky, Werner; Hrovat, David A; Borden, Weston Thatcher; Mayer, James M

    2009-04-08

    fluoride in place of the py ligands. The calculations reproduce the difference in barrier heights and show that transfer of a hydrogen atom involves more structural reorganization for vanadium than the Ru analogues. The vanadium complexes have larger changes in the metal-oxo and metal-hydroxo bond lengths, which is traced to the difference in d-orbital occupancy in the two systems. This study thus highlights the importance of intrinsic barriers in the transfer of a hydrogen atom, in addition to the thermochemical (bond strength) factors that have been previously emphasized.

  17. Bohm-Aharonov type effects in dissipative atomic systems

    CERN Document Server

    Solomon, A I; Solomon, Allan I.; Schirmer, Sonia G.

    2005-01-01

    A state in quantum mechanics is defined as a positive operator of norm 1. For finite systems, this may be thought of as a positive matrix of trace 1. This constraint of positivity imposes severe restrictions on the allowed evolution of such a state. From the mathematical viewpoint, we describe the two forms of standard dynamical equations - global (Kraus) and local (Lindblad) - and show how each of these gives rise to a semi-group description of the evolution. We then look at specific examples from atomic systems, involving 3-level systems for simplicity, and show how these mathematical constraints give rise to non-intuitive physical phenomena, reminiscent of Bohm-Aharonov effects. In particular, we show that for a multi-level atomic system it is generally impossible to isolate the levels, and this leads to observable effects on the population relaxation and decoherence.

  18. Quantum phase transition and entanglement in Li atom system

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    By use of the exact diagonalization method, the quantum phase transition and en- tanglement in a 6-Li atom system are studied. It is found that entanglement appears before the quantum phase transition and disappears after it in this exactly solvable quantum system. The present results show that the von Neumann entropy, as a measure of entanglement, may reveal the quantum phase transition in this model.

  19. Field correlations and effective two level atom-cavity systems

    CERN Document Server

    Rebic, S; Tan, S M

    2004-01-01

    We analyse the properties of the second order correlation functions of the electromagnetic field in atom-cavity systems that approximate two-level systems. It is shown that a recently-developed polariton formalism can be used to account for all the properties of the correlations, if the analysis is extended to include two manifolds - corresponding to the ground state and the states excited by a single photon - rather than just two levels.

  20. Suppression of angular momentum transfer in cold collisions of transition metal atoms in ground States with nonzero orbital angular momentum.

    Science.gov (United States)

    Hancox, Cindy I; Doret, S Charles; Hummon, Matthew T; Krems, Roman V; Doyle, John M

    2005-01-14

    The Zeeman relaxation rate in cold collisions of Ti(3d(2)4s(2) 3F2) with He is measured. We find that collisional transfer of angular momentum is dramatically suppressed due to the presence of the filled 4s(2) shell. The degree of electronic interaction anisotropy, which is responsible for Zeeman relaxation, is estimated to be about 200 times smaller in the Ti-He complex than in He complexes with typical non-S-state atoms.

  1. Synthesis of Highly Branched Poly(ε-caprolactone) by Self-condensing Atom Transfer Radical Polymerization of Macroinimers

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Branched poly(ε-caprolactone) was synthesized by self-condensing atom transfer radical polymerization of macroinimer, α-acryloyoxy-ω-2-bromopropionyloxy poly(ε-caprolactone),which was prepared by enzyme-catalyzed ring-opening polymerization of ε-caprolactone with 2-hydroxylethyl acrylate as initiator and esterification of the ω-hydroxyl group of the obtained poly(ε-caprolactone) by 2-bromopropionyl bromide.

  2. Protein adsorption resistance of PVP-modified polyurethane film prepared by surface-initiated atom transfer radical polymerization

    Science.gov (United States)

    Yuan, Huihui; Qian, Bin; Zhang, Wei; Lan, Minbo

    2016-02-01

    An anti-fouling surface of polyurethane (PU) film grafted with Poly(N-vinylpyrrolidone) (PVP) was prepared through surface-initiated atom transfer radical polymerization (SI-ATRP). And the polymerization time was investigated to obtain PU films with PVP brushes of different lengths. The surface properties and protein adsorption of modified PU films were evaluated. The results showed that the hydrophilicity of PU-PVP films were improved with the increase of polymerization time, which was not positive correlation with the surface roughness due to the brush structure. Additionally, the protein resistance performance was promoted when prolonging the polymerization time. The best antifouling PU-PVP (6.0 h) film reduced the adsoption level of bovine serum albumin (BSA), lysozyme (LYS), and brovin serum fibrinogen (BFG) by 93.4%, 68.3%, 85.6%, respectively, compared to the unmodified PU film. The competitive adsorption of three proteins indicated that LYS preferentially adsorbed on the modified PU film, while BFG had the lowest adsorption selectivity. And the amount of BFG on PU-PVP (6.0 h) film reduced greatly to 0.08 μg/cm2, which was almost one-tenth of its adsorption from the single-protein system. Presented results suggested that both hydrophilicity and surface roughness might be the important factors in all cases of protein adsorption, and the competitive or selective adsorption might be related to the size of the proteins, especially on the non-charged films.

  3. Surface modification of glycidyl-containing poly(methyl methacrylate) microchips using surface-initiated atom-transfer radical polymerization.

    Science.gov (United States)

    Sun, Xuefei; Liu, Jikun; Lee, Milton L

    2008-02-01

    Fabrication of microfluidic systems from polymeric materials is attractive because of simplicity and low cost. Unfortunately, the surfaces of many polymeric materials can adsorb biological samples. Therefore, it is necessary to modify their surfaces before these polymeric materials can be used for separation and analysis. Oftentimes it is difficult to modify polymeric surfaces because of their resistance to chemical reaction. Recently, we introduced a surface-reactive acrylic polymer, poly(glycidyl methacrylate-co-methyl methacrylate) (PGMAMMA), which can be modified easily and is suitable for fabrication of microfluidic devices. Epoxy groups on the surface can be activated by air plasma treatment, hydrolysis, or aminolysis. In this work, the resulting hydroxyl or amino groups were reacted with 2-bromoisobutylryl bromide to introduce an initiator for surface-initiated atom-transfer radical polymerization (SI-ATRP). Polyethylene glycol (PEG) layers grown on the surface using this method were uniform, hydrophilic, stable, and resistant to protein adsorption. Contact angle measurement and X-ray photoelectron spectroscopy (XPS) were used to characterize activated polymer surfaces, initiator-bound surfaces, and PEG-grafted surfaces. We obtained excellent capillary electrophoresis (CE) separations of proteins and peptides with the PEG-modified microchips. A separation efficiency of 4.4 x 10(4) plates for a 3.5 cm long separation channel was obtained.

  4. Conventional and atom transfer radical copolymerization of phenoxycarbonylmethyl methacrylate-styrene and thermal behavior of their copolymers

    Directory of Open Access Journals (Sweden)

    2007-08-01

    Full Text Available The atom transfer radical polymerization (ATRP of phenoxycarbonylmethyl methacrylate (PCMMA with styrene (St were performed in bulk at 110°C in the presence of ethyl 2-bromoacetate, cuprous(Ibromide (CuBr, and N,N,N’,N”,N”-pentamethyldiethyltriamine. Also, a series conventional free-radical polymerization (CFRP of PCMMA and styrene were carried out in the presence of 2,2’-azobisisobutyronitrile in 1,4-dioxane solvent at 60°C. The structure of homo and copolymers was characterized by IR, 1H and 13C-NMR techniques. The composition of the copolymers was calculated by 1H-NMR spectra. The average-molecular weight of the copolymers were investigated by Gel Permeation Chromatography (GPC. For copolymerization system, their monomer reactivity ratios were obtained by using both Kelen-Tüdõs and Fineman-Ross equations. Thermal analysis measurements of homo- and copolymers prepared CFRP and ATRP methods were measured by TGA-50 and DSC-50. Blends of poly(PCMMA and poly(St obtained via ATRP method have been prepared by casting films from dichlorormethane solution. The blends were characterized by differential scanning calorimetry. The initial decomposition temperatures of the resulting copolymers increased with increasing mole fraction of St.

  5. Rational preparation of dibenzothiophene-imprinted polymers by surface imprinting technique combined with atom transfer radical polymerization

    Science.gov (United States)

    Yang, Wenming; Liu, Lukuan; Zhou, Zhiping; Liu, Hong; Xie, Binze; Xu, Wanzhen

    2013-10-01

    A computational simulation method is introduced to simulate the dibenzothiophene-monomer pre-assembly system of molecular imprinted polymers. The interaction type and intensity between dibenzothiophene and monomer are discussed from the binding energy and spatial position distribution. The simulation and analysis results indicate that the amount of the function monomer is not the more the better in preparing molecular imprinted polymers. Based on the above results, a novel dibenzothiophene-imprinted polymers with the favorable specific adsorption effect was prepared by surface imprinting technique combined with atom transfer radical polymerization. This combined technologies are used for preparing a desulfurization adsorbent for the first time. Various measures were selected to characterize the structure and morphology of the prepared adsorbent. The characterization results show that the adsorbent has suitable features for further adsorption process. A series of static adsorption experiments were conducted to analyze its adsorption performance. The adsorption process follows Elovich model by the kinetic analysis and Sips equation by the isothermal analysis. The approach we described will provide another opportunity in the deep desulfurization field.

  6. A DFT Study of R-X Bond Dissociation Enthalpies of Relevance to the Initiation Process of Atom Transfer Radical Polymerization

    DEFF Research Database (Denmark)

    Gillies, Malcolm Bjørn; Matyjaszewski, Krzysztof; Norrby, Per-Ola;

    2003-01-01

    DFT calculations at the B3P86/6-31G** level have been carried out to derive the bond dissociation energies (BDE) and free energies for a number of R-X systems (X ) Cl, Br, I, N3, and S2-CNMe2) that have been or can potentially be used as initiators for atom transfer radical polymerization (ATRP...... with the equilibrium constants that have been determined from ATRP polymerization rates and from model studies of activation-deactivation-termination processes in the absence of monomer. These comparisons reveal the effectiveness of the DFT-computed BDEs for predicting polymerization rates for new monomers in ATRP...

  7. Mechanistic aspects of gas-phase hydrogen-atom transfer from methane to [CO](·+) and [SiO](·+) : why do they differ?

    Science.gov (United States)

    Dietl, Nicolas; Troiani, Anna; Schlangen, Maria; Ursini, Ornella; Angelini, Giancarlo; Apeloig, Yitzhak; de Petris, Giulia; Schwarz, Helmut

    2013-05-17

    The reactivity of the two diatomic congeneric systems [CO](·+) and [SiO](·+) towards methane has been investigated by means of mass spectrometry and quantum-chemical calculations. While [CO](·+) gives rise to three different reaction channels, [SiO](·+) reacts only by hydrogen-atom transfer (HAT) from methane under thermal conditions. A theoretical analysis of the respective HAT processes reveals two distinctly different mechanistic pathways for [CO](·+) and [SiO](·+), and a comparison to the higher metal oxides of Group 14 emphasizes the particular role of carbon as a second-row p element.

  8. Asymptotic inference in system identification for the atom maser.

    Science.gov (United States)

    Catana, Catalin; van Horssen, Merlijn; Guta, Madalin

    2012-11-28

    System identification is closely related to control theory and plays an increasing role in quantum engineering. In the quantum set-up, system identification is usually equated to process tomography, i.e. estimating a channel by probing it repeatedly with different input states. However, for quantum dynamical systems such as quantum Markov processes, it is more natural to consider the estimation based on continuous measurements of the output, with a given input that may be stationary. We address this problem using asymptotic statistics tools, for the specific example of estimating the Rabi frequency of an atom maser. We compute the Fisher information of different measurement processes as well as the quantum Fisher information of the atom maser, and establish the local asymptotic normality of these statistical models. The statistical notions can be expressed in terms of spectral properties of certain deformed Markov generators, and the connection to large deviations is briefly discussed.

  9. Asymptotic inference in system identification for the atom maser

    CERN Document Server

    Catana, Catalin; Guta, Madalin

    2011-01-01

    System identification is an integrant part of control theory and plays an increasing role in quantum engineering. In the quantum set-up, system identification is usually equated to process tomography, i.e. estimating a channel by probing it repeatedly with different input states. However for quantum dynamical systems like quantum Markov processes, it is more natural to consider the estimation based on continuous measurements of the output, with a given input which may be stationary. We address this problem using asymptotic statistics tools, for the specific example of estimating the Rabi frequency of an atom maser. We compute the Fisher information of different measurement processes as well as the quantum Fisher information of the atom maser, and establish the local asymptotic normality of these statistical models. The statistical notions can be expressed in terms of spectral properties of certain deformed Markov generators and the connection to large deviations is briefly discussed.

  10. Antioxidant Activity/Capacity Measurement. 2. Hydrogen Atom Transfer (HAT)-Based, Mixed-Mode (Electron Transfer (ET)/HAT), and Lipid Peroxidation Assays.

    Science.gov (United States)

    Apak, Reşat; Özyürek, Mustafa; Güçlü, Kubilay; Çapanoğlu, Esra

    2016-02-10

    Measuring the antioxidant activity/capacity levels of food extracts and biological fluids is useful for determining the nutritional value of foodstuffs and for the diagnosis, treatment, and follow-up of numerous oxidative stress-related diseases. Biologically, antioxidants play their health-beneficial roles via transferring a hydrogen (H) atom or an electron (e(-)) to reactive species, thereby deactivating them. Antioxidant activity assays imitate this action; that is, antioxidants are measured by their H atom transfer (HAT) or e(-) transfer (ET) to probe molecules. Antioxidant activity/capacity can be monitored by a wide variety of assays with different mechanisms, including HAT, ET, and mixed-mode (ET/HAT) assays, generally without distinct boundaries between them. Understanding the principal mechanisms, advantages, and disadvantages of the measurement assays is important for proper selection of method for valid evaluation of antioxidant properties in desired applications. This work provides a general and up-to-date overview of HAT-based, mixed-mode (ET/HAT), and lipid peroxidation assays available for measuring antioxidant activity/capacity and the chemistry behind them, including a critical evaluation of their advantages and drawbacks.

  11. Transferable potentials for phase equilibria-united atom description of five- and six-membered cyclic alkanes and ethers.

    Science.gov (United States)

    Keasler, Samuel J; Charan, Sophia M; Wick, Collin D; Economou, Ioannis G; Siepmann, J Ilja

    2012-09-13

    While the transferable potentials for phase equilibria-united atom (TraPPE-UA) force field has generally been successful at providing parameters that are highly transferable between different molecules, the polarity and polarizability of a given functional group can be significantly perturbed in small cyclic structures, which limits the transferability of parameters obtained for linear molecules. This has motivated us to develop a version of the TraPPE-UA force field specifically for five- and six-membered cyclic alkanes and ethers. The Lennard-Jones parameters for the methylene group obtained from cyclic alkanes are transferred to the ethers for each ring size, and those for the oxygen atom are common to all compounds for a given ring size. However, the partial charges are molecule specific and parametrized using liquid-phase dielectric constants. This model yields accurate saturated liquid densities and vapor pressures, critical temperatures and densities, normal boiling points, heat capacities, and isothermal compressibilities for the following molecules: cyclopentane, tetrahydrofuran, 1,3-dioxolane, cyclohexane, oxane, 1,4-dioxane, 1,3-dioxane, and 1,3,5-trioxane. The azeotropic behavior and separation factor for the binary mixtures of 1,3-dioxolane/cyclohexane and ethanol/1,4-dioxane are qualitively reproduced.

  12. High-order-harmonic generation in atomic and molecular systems

    Science.gov (United States)

    Suárez, Noslen; Chacón, Alexis; Pérez-Hernández, Jose A.; Biegert, Jens; Lewenstein, Maciej; Ciappina, Marcelo F.

    2017-03-01

    High-order-harmonic generation (HHG) results from the interaction of ultrashort laser pulses with matter. It configures an invaluable tool to produce attosecond pulses, moreover, to extract electron structural and dynamical information of the target, i.e., atoms, molecules, and solids. In this contribution, we introduce an analytical description of atomic and molecular HHG, that extends the well-established theoretical strong-field approximation (SFA). Our approach involves two innovative aspects: (i) First, the bound-continuum and rescattering matrix elements can be analytically computed for both atomic and multicenter molecular systems, using a nonlocal short range model, but separable, potential. When compared with the standard models, these analytical derivations make possible to directly examine how the HHG spectra depend on the driven media and laser-pulse features. Furthermore, we can turn on and off contributions having distinct physical origins or corresponding to different mechanisms. This allows us to quantify their importance in the various regions of the HHG spectra. (ii) Second, as reported recently [N. Suárez et al., Phys. Rev. A 94, 043423 (2016), 10.1103/PhysRevA.94.043423], the multicenter matrix elements in our theory are free from nonphysical gauge- and coordinate-system-dependent terms; this is accomplished by adapting the coordinate system to the center from which the corresponding time-dependent wave function originates. Our SFA results are contrasted, when possible, with the direct numerical integration of the time-dependent Schrödinger equation in reduced and full dimensionality. Very good agreement is found for single and multielectronic atomic systems, modeled under the single active electron approximation, and for simple diatomic molecular systems. Interference features, ubiquitously present in every strong-field phenomenon involving a multicenter target, are also captured by our model.

  13. Replacement of Cross-Site Transfer System Startup Plan

    Energy Technology Data Exchange (ETDEWEB)

    Gerken, M.D.

    1996-01-01

    This Startup Plan provides a discussion of organizational responsibilities, work planning, quality assurance (QA), personnel qualifications, and testing requirements for the Cross-Site Transfer System.

  14. PREFACE: Heavy-Ion Spectroscopy and QED Effects in Atomic Systems

    Science.gov (United States)

    Lindgren, Ingvar; Martinson, Indrek; Schuch, Reinhold

    1993-01-01

    now essentially solved. The experimental accuracy is already so high that also higher-order QED effects become observable, and several groups are now active in trying to evaluate such effects from first principles. Another related field where substantial progress has recently been made involves precision measurements of X-ray transitions. This has created an interest in the study of deep inner holes in heavy atoms, where large relativistic and QED effects appear. These effects are as large as in corresponding highly charged ions, but the interpretation requires that the many-body effects from the surrounding electrons are accurately extracted. This is a big challenge at present. Atomic collision physics with highly charged ions has been dominated in recent years by the search for a possibility to describe electron-electron interaction within the dynamics of collisions. The experiments on multielectron transfer reactions with highly charged ions posed in this respect quite a challenge to the theory. The models developed to meet this were often based on methods and terminologies developed for describing the inter-electronic interactions in atomic structure. This caused many controversial discussions, also during this symposium. A new and fast rising field is the interaction of highly charged ions with solid surfaces. This may become an important link between atomic physics and condensed-matter physics, stimulated by the opportunity to study effects in coupled many-body systems present in the case when a large amount of electrons is transferred from the solid to each single ion. Furtheron, collision experiments with cooled ion beams in ion storage rings open new dimensions also for atomic spectroscopy. It appears possible that transition and binding energies can be measured in recombination of very heavy ions with a better quality than by conventional Auger electron or X-ray spectroscopy. Obviously, it is not possible to cover all the fields mentioned here in a single

  15. Photoinduced Charge Transfer at Metal Oxide/Oxide Interfaces Prepared with Plasma Enhanced Atomic Layer Deposition

    Science.gov (United States)

    Kaur, Manpuneet

    LiNbO3 and ZnO have shown great potential for photochemical surface reactions and specific photocatalytic processes. However, the efficiency of LiNbO3 is limited due to recombination or back reactions and ZnO exhibits a chemical instability in a liquid cell. In this dissertation, both materials were coated with precise thickness of metal oxide layers to passivate the surfaces and to enhance their photocatalytic efficiency. LiNbO 3 was coated with plasma enhanced atomic layer deposited (PEALD) ZnO and Al2O3, and molecular beam deposited TiO2 and VO2. On the other hand, PEALD ZnO and single crystal ZnO were passivated with PEALD SiO2 and Al2O3. Metal oxide/LiNbO3 heterostructures were immersed in aqueous AgNO3 solutions and illuminated with ultraviolet (UV) light to form Ag nanoparticle patterns. Alternatively, Al2O3 and SiO2/ZnO heterostructures were immersed in K3PO 4 buffer solutions and studied for photoelectrochemical reactions. A fundamental aspect of the heterostructures is the band alignment and band bending, which was deduced from in situ photoemission measurements. This research has provided insight to three aspects of the heterostructures. First, the band alignment at the interface of metal oxides/LiNbO 3, and Al2O3 or SiO2/ZnO were used to explain the possible charge transfer processes and the direction of carrier flow in the heterostructures. Second, the effect of metal oxide coatings on the LiNbO3 with different internal carrier concentrations was related to the surface photochemical reactions. Third is the surface passivation and degradation mechanism of Al2O 3 and SiO2 on ZnO was established. The heterostructures were characterized after stability tests using atomic force microscopy (AFM), scanning electron microscopy (SEM), and cross-section transmission electron microscopy (TEM). The results indicate that limited thicknesses of ZnO or TiO2 on polarity patterned LiNbO3 (PPLN) enhances the Ag+ photoinduced reduction process. ZnO seems more efficient

  16. Insights into the Tunnel Mechanism of Cholesteryl Ester Transfer Protein through All-atom Molecular Dynamics Simulations.

    Science.gov (United States)

    Lei, Dongsheng; Rames, Matthew; Zhang, Xing; Zhang, Lei; Zhang, Shengli; Ren, Gang

    2016-07-01

    Cholesteryl ester transfer protein (CETP) mediates cholesteryl ester (CE) transfer from the atheroprotective high density lipoprotein (HDL) cholesterol to the atherogenic low density lipoprotein cholesterol. In the past decade, this property has driven the development of CETP inhibitors, which have been evaluated in large scale clinical trials for treating cardiovascular diseases. Despite the pharmacological interest, little is known about the fundamental mechanism of CETP in CE transfer. Recent electron microscopy (EM) experiments have suggested a tunnel mechanism, and molecular dynamics simulations have shown that the flexible N-terminal distal end of CETP penetrates into the HDL surface and takes up a CE molecule through an open pore. However, it is not known whether a CE molecule can completely transfer through an entire CETP molecule. Here, we used all-atom molecular dynamics simulations to evaluate this possibility. The results showed that a hydrophobic tunnel inside CETP is sufficient to allow a CE molecule to completely transfer through the entire CETP within a predicted transfer time and at a rate comparable with those obtained through physiological measurements. Analyses of the detailed interactions revealed several residues that might be critical for CETP function, which may provide important clues for the effective development of CETP inhibitors and treatment of cardiovascular diseases.

  17. Electromagnetically Induced Transparency in a Four-Level Atomic System

    Institute of Scientific and Technical Information of China (English)

    LIJia-Hua; WANGWen-Yi

    2004-01-01

    In this paper, we analyze and discuss the absorption properties of the probe beam in a four-level atomic system with a nearly hyper-fine doublet structure of two higher-lying excited levels based on electromagnetieally induced transparency (EIT) for the two cases of transient process and steady-state process. The main gain of this work is to investigate theoretically the influence of the nearly hyper-fine levels on the probe absorption. For the transient process, using the numerical calculations by a simple Mathematica code we find that the magnitude of the probe absorption at the line center is small compared to the typical three-level atomic system in the context of electromagnetieally induced transparency. For the case of the steady state, our results show that the probe absorption can be completely eliminated at the line center of the probe transition just as the usual three-level EIT scheme.

  18. Electromagnetically Induced Transparency in a Four-Level Atomic System

    Institute of Scientific and Technical Information of China (English)

    LI Jia-Hua; WANG Wen-Yi

    2004-01-01

    In this paper, we analyze and discuss the absorption properties of the probe beam in a four-level atomic system with a nearly hyper-fine doublet structure of two higher-lying excited levels based on electromagnetically induced transparency (EIT) for the two cases of transient process and steady-state process. The main gain of this work is to investigate theoretically the influence of the nearly hyper-fine levels on the probe absorption. For the transient process,using the numerical calculations by a simple Mathematica code we find that the magnitude of the probe absorption at the line center is small compared to the typical three-level atomic system in the context of electromagnetically induced transparency. For the case of the steady state, our results show that the probe absorption can be completely eliminated at the line center of the probe transition just as the usual three-level EIT scheme.

  19. Nonlinear control techniques for an atomic force microscope system

    Institute of Scientific and Technical Information of China (English)

    Yongchun FANG; Matthew FEEMSTER; Darren DAWSON; Nader M.JALILI

    2005-01-01

    Two nonlinear control techniques are proposed for an atomic force microscope system.Initially,a learning-based control algorithm is developed for the microcantilever-sample system that achieves asymptotic cantilever tip tracking for periodic trajectories.Specifically,the control approach utilizes a learning-based feedforward term to compensate for periodic dynamics and high-gain terms to account for non-periodic dynamics.An adaptive control algorithm is then developed to achieve asymptotic cantilever tip tracking for bounded tip trajectories despite uncertainty throughout the system parameters.Simulation results are provided to illustrate the efficacy and performance of the control strategies.

  20. Coupled Atom-Polar Molecule Condensate Systems: A Theoretical Adventure

    Science.gov (United States)

    2014-07-14

    nonlinear optics, due both to its fundamental interest, and to its many practical applications in fast optical switches, optical memory, laser pulse...p-wave (px ipy) phase in both superconductors and ultracold atomic systems has attracted signi�cant attention in recent years mainly because its...Theory, Experiment, Applications , edited by R. V. Krems, B. Friedrich, and W. C. Stwalley (CRC Press, Boca Raton, FL, 2009). Scienti�c Progress and

  1. Coherence generation and population transfer in a three-level ladder system

    Institute of Scientific and Technical Information of China (English)

    Zhang Bing; Jiang Yun; Wang Gang; Zhang Li-Da; Wu Jin-Hui; Gao Jin-Yue

    2011-01-01

    This work explores the effect of spontaneous emission on coherence generation and population transfer in a threelevel ladder atomic system driven by two pulses in counterintuitive order. With adiabatic evolution and the weakdephasing approximation, we find that a large coherence and population transfer can be achieved even with spontaneous decay rate. The maximum coherence and population transfer decrease with the increase of spontaneous decay rate from the highest state to intermediate state. But this effect can be compensated by shortening the pulse width and enlarging the delay time. Results show that the coherence generation and population transfer never depend on the spontaneous decay rate from the intermediate state to ground state. The validity of the analytic solution is examined by numerical calculation.

  2. EON: software for long time simulations of atomic scale systems

    Science.gov (United States)

    Chill, Samuel T.; Welborn, Matthew; Terrell, Rye; Zhang, Liang; Berthet, Jean-Claude; Pedersen, Andreas; Jónsson, Hannes; Henkelman, Graeme

    2014-07-01

    The EON software is designed for simulations of the state-to-state evolution of atomic scale systems over timescales greatly exceeding that of direct classical dynamics. States are defined as collections of atomic configurations from which a minimization of the potential energy gives the same inherent structure. The time evolution is assumed to be governed by rare events, where transitions between states are uncorrelated and infrequent compared with the timescale of atomic vibrations. Several methods for calculating the state-to-state evolution have been implemented in EON, including parallel replica dynamics, hyperdynamics and adaptive kinetic Monte Carlo. Global optimization methods, including simulated annealing, basin hopping and minima hopping are also implemented. The software has a client/server architecture where the computationally intensive evaluations of the interatomic interactions are calculated on the client-side and the state-to-state evolution is managed by the server. The client supports optimization for different computer architectures to maximize computational efficiency. The server is written in Python so that developers have access to the high-level functionality without delving into the computationally intensive components. Communication between the server and clients is abstracted so that calculations can be deployed on a single machine, clusters using a queuing system, large parallel computers using a message passing interface, or within a distributed computing environment. A generic interface to the evaluation of the interatomic interactions is defined so that empirical potentials, such as in LAMMPS, and density functional theory as implemented in VASP and GPAW can be used interchangeably. Examples are given to demonstrate the range of systems that can be modeled, including surface diffusion and island ripening of adsorbed atoms on metal surfaces, molecular diffusion on the surface of ice and global structural optimization of nanoparticles.

  3. W-314, waste transfer alternative piping system description

    Energy Technology Data Exchange (ETDEWEB)

    Papp, I.G.

    1998-04-30

    It is proposed that the reliability, operability, and flexibility of the Retrieval Transfer System be substantially upgraded by replacing the planned single in-farm pipeline from the AN-AY-AZ-(SY) Tank Farm Complex to the AP Farm with three parallel pipelines outside the tank farms. The proposed system provides simplified and redundant routes for the various transfer missions, and prevents the risk of transfer gridlock when the privatization effort swings into full operation.

  4. Optical pumping and population transfer of nuclear-spin states of caesium atoms in high magnetic fields

    Institute of Scientific and Technical Information of China (English)

    Luo Jun; Sun Xian-Ping; Zeng Xi-Zhi; Zhan Ming-Sheng

    2007-01-01

    Nuclear-spin states of gaseous-state Cs atoms in the ground state are optically manipulated using a Ti:sapphire laser in a magnetic field of 1.516 T, in which optical coupling of the nuclear-spin states is achieved through hyperfine interactions between electrons and nuclei. The steady-state population distribution in the hyperfine Zeeman sublevels of the ground state is detected by using a tunable diode laser. Furthermore, the state population transfer among the of Cs in the ground state due to stochastic collisions between Cs atoms and buffer-gas molecules, is studied at different of the hyperfine interaction can strongly cause the state population transfer and spin-state interchange among the hyperfine Zeeman sublevels. The calculated results maybe explain the steady-state population in hyperfine Zeeman sublevels in terms of rates of optical-pumping, electron-spin flip, nuclear spin flip, and electron-nuclear spin flip-flop transitions among the hyperfine Zeeman sublevels of the ground state of Cs atoms. This method may be applied to the nuclear-spin-based solid-state quantum computation.

  5. Atomic Clocks’ Data Exchange System for Time Keeping%守时原子钟数据交互系统

    Institute of Scientific and Technical Information of China (English)

    王玉琢; 王伟波; 张爱敏

    2016-01-01

    The comparisons and synchronizations of remote atomic clocks’ data are vitally significant for accuracy and stability of atomic time scale. This paper introduces GPS common-view method for calculating the time difference between remote atomic clocks. The design and implementation of remote atomic clocks’ data exchange system by file transfer protocol is detailedly discussed.%异地原子钟数据的比对与同步是原子时标准确性和稳定性的基础保障。介绍了GPS共视法计算异地原子钟钟差数据的基本原理,讨论了基于FTP文件传输协议实现异地原子钟数据交互方案的设计和实现。

  6. Autonomous quantum thermal machines in atom-cavity systems

    CERN Document Server

    Mitchison, Mark T; Prior, Javier; Woods, Mischa P; Plenio, Martin B

    2016-01-01

    An autonomous quantum thermal machine comprising a trapped atom or ion placed inside an optical cavity is proposed and analysed. Such a machine can operate as a heat engine whose working medium is the quantised atomic motion, or as an absorption refrigerator which cools without any work input. Focusing on the refrigerator mode, we predict that it is possible with state-of-the-art technology to cool a trapped ion almost to its motional ground state using a thermal light source such as sunlight. We nonetheless find that a laser or similar reference system is necessary to stabilise the cavity frequencies. Furthermore, we establish a direct and heretofore unacknowledged connection between the abstract theory of quantum absorption refrigerators and practical sideband cooling techniques. We also highlight and clarify some assumptions underlying several recent theoretical studies on self-contained quantum engines and refrigerators. Our work indicates that cavity quantum electrodynamics is a promising and versatile e...

  7. Observation of EIA in closed and open caesium atomic system

    Institute of Scientific and Technical Information of China (English)

    Zhao Jian-Ming; Zhao Yan-Ting; Huang Tao; Xiao Lian-Tuan; Jia Suo-Tang

    2005-01-01

    We present an experimental study on electromagnetically induced absorption (EIA) in the closed transition of a degenerate two-level Cs atomic system. The coupling and probe lasers coupled with the transition 6S1/2F=4 →6P3/2F'=5 of caesium atom. The signal of EIA was obtained and the frequency detuning and intensity effect of the pumping laser were experimentally investigated. The EIA signal in 6S1/2 F=4 → 6P3/2 F'=4 and 6S1/2 F=4 → 6P3/2F'=3 open transitions was also obtained. As the repumping laser couples with the transition of 6S1/2 F=3 → 6P3/2F'=4, the EIA signal is increased due to the hyperfine optical pumping.

  8. Resonance flourescence in atomic coherent systems spectral features

    CERN Document Server

    Sandhya, S N

    1999-01-01

    We study resonance flourescence in a four level ladder system and illustrate some novel features due to quantum interference and atomic coherence effects. We find that under three photon resonant conditions, in some region of the parameter space of the rabi frequencies $\\Omega_1,\\Omega_2,\\Omega_3$, emission is dominantly by the level 4 at the line center even though there is an almost equal distribution of populations in all the levels. As one increases 'dynamically collapses' to a two level system. The steady state populations and the the resonance flourescence from all the levels provide adequate evidence to this effect.

  9. Safety and Mission Assurance (SMA) Automated Task Order Management System (ATOMS) Operation Manual

    Science.gov (United States)

    Wallace, Shawn; Fikes, Lou A.

    2016-01-01

    This document describes operational aspects of the ATOMS system. The information provided is limited to the functionality provided by ATOMS and does not include information provided in the contractor's proprietary financial and task management system.

  10. Teleportation of a ququart system using hyperentangled photons assisted by atomic-ensemble memories

    Science.gov (United States)

    Luo, Ming-Xing; Li, Hui-Ran; Lai, Hong; Wang, Xiaojun

    2016-01-01

    A single photon encoded in both the spin and the orbital angular momentum has recently been experimentally demonstrated [X.-L. Wang et al., Nature 518, 516 (2015)], 10.1038/nature14246 with linear optics using the hyperentangled state, which can be viewed as a bipartite four-dimensional (ququart) entanglement. Here, we investigate this process from a general point of view. By exploring a controlled phase flip induced by atomic ensembles in one-side optical microcavities, we propose teleportations of general ququart systems including a two-atomic-ensemble system, a two-polarized-photon system, one photon with the polarization and spatial degrees of freedom (DOFs), and a hybrid photon-ensemble system using two hyperentangled photons. The output information may also be encoded by different physical systems up to the special requirements of a receiver. These schemes are also adapted to teleportation of a ququart system with only phases or real probability amplitudes, which is beyond previous superdense teleportation [Nature Commun. 6, 7185 (2015)], 10.1038/ncomms8185. With these restrictions, half of the classical communication cost may be saved and experimental complexities are also reduced. Our theoretical schemes are feasible in modern physics and show the possibilities of transferring complex quantum systems for scalable quantum applications.

  11. Optical-bistability-enabled control of resonant light transmission for an atom-cavity system

    Science.gov (United States)

    Sawant, Rahul; Rangwala, S. A.

    2016-02-01

    The control of light transmission through a standing-wave Fabry-Pérot cavity containing atoms is theoretically and numerically investigated, when the cavity mode beam and an intersecting control beam are both close to specific atomic resonances. A four-level atomic system is considered and its interaction with the cavity mode is studied by solving for the cavity field and atomic state populations. The conditions for optical bistability of the atom-cavity system are obtained. The response of the intracavity intensity to an intersecting beam on atomic resonance is understood in the presence of stationary atoms (closed system) and nonstatic atoms (open system) in the cavity. The nonstatic system of atoms is modelled by adjusting the atomic state populations to represent the exchange of atoms in the cavity mode, which corresponds to a thermal environment where atoms are moving in and out of the cavity mode volume. The control behavior with three- and two-level atomic systems is also studied, and the rich physics arising out of these systems for closed and open atomic systems is discussed. The solutions to the models are used to interpret the steady-state and transient behavior observed by Sharma et al. [Phys. Rev. A 91, 043824 (2015)], 10.1103/PhysRevA.91.043824.

  12. A portable laser system for high precision atom interferometry experiments

    CERN Document Server

    Schmidt, Malte; Giorgini, Antonio; Tino, Guglielmo M; Peters, Achim

    2010-01-01

    We present a modular rack-mounted laser system for the cooling and manipulation of neutral rubidium atoms which has been developed for the portable gravimeter GAIN, an atom interferometer that will be capable of performing high precision gravity measurements directly at sites of geophysical interest. This laser system is designed to be compact, mobile and robust, yet it still offers improvements over many conventional laboratory-based laser systems. Our system is contained in a standard 19" rack and emits light at five different wavelengths simultaneously on up to 12 fibre ports at a total output power of 800 mW. These wavelengths can be changed and switched between ports in less than a microsecond. The setup includes two phase-locked Raman lasers with a phase noise spectral density of less than 1 \\mu rad/sqrt(Hz) in the frequency range in which our gravimeter is most sensitive to noise. We characterize this laser system and evaluate the performance limits it imposes on an interferometer.

  13. Water-Soluble Iron(IV)-Oxo Complexes Supported by Pentapyridine Ligands: Axial Ligand Effects on Hydrogen Atom and Oxygen Atom Transfer Reactivity.

    Science.gov (United States)

    Chantarojsiri, Teera; Sun, Yujie; Long, Jeffrey R; Chang, Christopher J

    2015-06-15

    We report the photochemical generation and study of a family of water-soluble iron(IV)-oxo complexes supported by pentapyridine PY5Me2-X ligands (PY5Me2 = 2,6-bis(1,1-bis(2-pyridyl)ethyl)pyridine; X = CF3, H, Me, or NMe2), in which the oxidative reactivity of these ferryl species correlates with the electronic properties of the axial pyridine ligand. Synthesis of a systematic series of [Fe(II)(L)(PY5Me2-X)](2+) complexes, where L = CH3CN or H2O, and characterizations by several methods, including X-ray crystallography, cyclic voltammetry, and Mössbauer spectroscopy, show that increasing the electron-donating ability of the axial pyridine ligand tracks with less positive Fe(III)/Fe(II) reduction potentials and quadrupole splitting parameters. The Fe(II) precursors are readily oxidized to their Fe(IV)-oxo counterparts using either chemical outer-sphere oxidants such as CAN (ceric ammonium nitrate) or flash-quench photochemical oxidation with [Ru(bpy)3](2+) as a photosensitizer and K2S2O8 as a quencher. The Fe(IV)-oxo complexes are capable of oxidizing the C-H bonds of alkane (4-ethylbenzenesulfonate) and alcohol (benzyl alcohol) substrates via hydrogen atom transfer (HAT) and an olefin (4-styrenesulfonate) substrate by oxygen atom transfer (OAT). The [Fe(IV)(O)(PY5Me2-X)](2+) derivatives with electron-poor axial ligands show faster rates of HAT and OAT compared to their counterparts supported by electron-rich axial donors, but the magnitudes of these differences are relatively modest.

  14. Protein adsorption resistance of PVP-modified polyurethane film prepared by surface-initiated atom transfer radical polymerization

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Huihui; Qian, Bin; Zhang, Wei [Shanghai Key Laboratory of Functional Materials Chemistry and Research Center of Analysis and Test, East China University of Science and Technology, Shanghai 200237 (China); Lan, Minbo, E-mail: minbolan@ecust.edu.cn [Shanghai Key Laboratory of Functional Materials Chemistry and Research Center of Analysis and Test, East China University of Science and Technology, Shanghai 200237 (China); State Key Laboratory of Bioreactor Engineering, East China University of Science and Technology, Shanghai 200237 (China)

    2016-02-15

    Highlights: • Antifouling PVP brushes were successfully grafted on PU films by SI-ATRP. • The effect of polymerization time on surface property and topography was studied. • Hydrophilicity and protein fouling resistance of PVP–PU films were greatly promoted. • Competitive adsorption of three proteins on PVP–PU films was evaluated. - Abstract: An anti-fouling surface of polyurethane (PU) film grafted with Poly(N-vinylpyrrolidone) (PVP) was prepared through surface-initiated atom transfer radical polymerization (SI-ATRP). And the polymerization time was investigated to obtain PU films with PVP brushes of different lengths. The surface properties and protein adsorption of modified PU films were evaluated. The results showed that the hydrophilicity of PU–PVP films were improved with the increase of polymerization time, which was not positive correlation with the surface roughness due to the brush structure. Additionally, the protein resistance performance was promoted when prolonging the polymerization time. The best antifouling PU–PVP (6.0 h) film reduced the adsoption level of bovine serum albumin (BSA), lysozyme (LYS), and brovin serum fibrinogen (BFG) by 93.4%, 68.3%, 85.6%, respectively, compared to the unmodified PU film. The competitive adsorption of three proteins indicated that LYS preferentially adsorbed on the modified PU film, while BFG had the lowest adsorption selectivity. And the amount of BFG on PU–PVP (6.0 h) film reduced greatly to 0.08 μg/cm{sup 2}, which was almost one-tenth of its adsorption from the single-protein system. Presented results suggested that both hydrophilicity and surface roughness might be the important factors in all cases of protein adsorption, and the competitive or selective adsorption might be related to the size of the proteins, especially on the non-charged films.

  15. Excited state intramolecular charge transfer reaction of 4-(morpholenyl) benzonitrile in solution: Effects of hetero atom in the donor moiety

    Indian Academy of Sciences (India)

    Tuhin Pradhan; Harun Al Rasid Gazi; Ranjit Biswas

    2010-07-01

    An intramolecular charge transfer (ICT) molecule with an extra hetero atom in its donor moiety has been synthesized in order to investigate how ICT reaction is affected by hetero atom replacement. Photo-physical and photo-dynamical properties of this molecule, 4-(morpholenyl)benzonitrile (M6C), have been studied in 20 different solvents. The correlation between the reaction driving force (- ) and activation barrier ( #) has been explored in order to understand the solvent effects (static and dynamic) on the photo-excited ICT reaction in this molecule. A Kramer’s model analysis of the experimentally observed reaction rate constants indicates a solvent-averaged activation barrier of ∼ 4 in the absence of solvent dynamical control. The reaction in M6C is therefore not a barrier-less reaction but close to the limit where conventional kinetics might break down.

  16. Elastic, charge transfer, and related transport cross sections for proton impact of atomic hydrogen for astrophysical and laboratory plasma modeling

    Science.gov (United States)

    Schultz, D. R.; Ovchinnikov, S. Yu; Stancil, P. C.; Zaman, T.

    2016-04-01

    Updating and extending previous work (Krstić and Schultz 1999 J. Phys. B: At. Mol. Opt. Phys. 32 3458 and other references) comprehensive calculations were performed for elastic scattering and charge transfer in proton—atomic hydrogen collisions. The results, obtained for 1301 collision energies in the center-of-mass energy range of 10-4-104 eV, are provided for integral and differential cross sections relevant to transport modeling in astrophysical and other plasma environments, and are made available through a website. Use of the data is demonstrated through a Monte Carlo transport simulation of solar wind proton propagation through atomic hydrogen gas representing a simple model of the solar wind interaction with heliospheric neutrals.

  17. Nonlocality and purity in atom-field coupling system

    Institute of Scientific and Technical Information of China (English)

    Cai Xin; Huang Guang-Ming; Li Gao-Xiang

    2005-01-01

    The effects of initial field state and thermal environment on quantum nonlocality and linear entropy in an atomfield coupling system are investigated. We found that if the cavity is lossless and the reservoir is in vacuum, the atom-field state can exhibit quantum nonlocality periodically and the linear entropies of the atom and the field also oscillate periodically with a period the same as that of quantum nonlocality. And if the cavity dissipation is very weak and the average photon number of the reservoir is very small, the quantum nonlocality will be lost and the linear entropies of the atom and the field oscillate with a decreasing amplitude. The rapidity of the loss of the quantum nonlocality depends on the amplitude of the initial squeezed coherent state, the cavity damping constant κ and the average photon number N of the thermal reservoir. The stronger the field and the larger the constant κ and the average photon number N could be, the more rapidly the nonlocality decreases.

  18. Iodinated (Perfluoro)alkyl Quinoxalines by Atom Transfer Radical Addition Using ortho-Diisocyanoarenes as Radical Acceptors.

    Science.gov (United States)

    Leifert, Dirk; Studer, Armido

    2016-09-12

    A simple method for the preparation of functionalized quinoxalines is reported. Starting from readily accessible ortho-diisocyanoarenes and (perfluoro)alkyl iodides, the quinoxaline core is constructed during (perfluoro)alkylation by atom transfer radical addition (ATRA), resulting in 2-iodo-3-(perfluoro)alkylquinoxalines. The radical cascades are readily initiated either with visible light or by using α,α'-azobisisobutyronitrile (AIBN). The heteroarene products are obtained in high yields (up to 94 %), and the method can be readily scaled up. Useful follow-up chemistry documents the value of the novel radical quinoxaline synthesis.

  19. Dynamical control of quantum state transfer within hybrid open systems

    CERN Document Server

    Escher, B M; Clausen, J; Kurizki, G; Davidovich, L

    2010-01-01

    We analyze quantum state-transfer optimization within hybrid open systems, from a "noisy" (write-in) qubit to its "quiet" counterpart (storage qubit). Intriguing interplay is revealed between our ability to avoid bath-induced errors that profoundly depend on the bath-memory time and the limitations imposed by leakage out of the operational subspace. Counterintuitively, under no circumstances is the fastest transfer optimal (for a given transfer energy).

  20. Born-Oppenheimer approximation of quantized cavity-atom system and localization control of atomic tunneling

    Institute of Scientific and Technical Information of China (English)

    孙昌璞

    1995-01-01

    The generalized Born-Oppenheimer approximation theory is applied to the localization control of state tunneling of a two-level atom in a cavity field with single mode. The nonadiabatic effect of tunneling of atomic chiral states in coherent cavity field is analyzed quantitatively and the condition for realizing localization is given strictly. Besides, the influence of variation in temperature on tunneling of atomic state is discussed.

  1. Application of Density Functional Theory to Systems Containing Metal Atoms

    Science.gov (United States)

    Bauschlicher, Charles W., Jr.

    2006-01-01

    The accuracy of density functional theory (DFT) for problems involving metal atoms is considered. The DFT results are compared with experiment as well as results obtained using the coupled cluster approach. The comparisons include geometries, frequencies, and bond energies. The systems considered include MO2, M(OH)+n, MNO+, and MCO+2. The DFT works well for frequencies and geometries, even in case with symmetry breaking; however, some examples have been found where the symmetry breaking is quite severe and the DFT methods do not work well. The calculation of bond energies is more difficult and examples of successes as well as failures of DFT will be given.

  2. Quantum simulation of disordered systems with cold atoms

    Science.gov (United States)

    Garreau, Jean-Claude

    2017-01-01

    This paper reviews the physics of quantum disorder in relation with a series of experiments using laser-cooled atoms exposed to "kicks" of a standing wave, realizing a paradigmatic model of quantum chaos, the kicked rotor. This dynamical system can be mapped onto a tight-binding Hamiltonian with pseudo-disorder, formally equivalent to the Anderson model of quantum disorder, with quantum chaos playing the role of disorder. This provides a very good quantum simulator for the Anderson physics. xml:lang="fr"

  3. Wireless embedded control system for atomically precise manufacturing

    KAUST Repository

    Khan, Yasser

    2011-04-01

    This paper will explore the possibilities of implementing a wireless embedded control system for atomically precise manufacturing. The manufacturing process, similar to Scanning Tunneling Microscopy, takes place within an Ultra High Vacuum (UHV) chamber at a pressure of 10-10 torr. In order to create vibration isolation, and to keep internal noise to a minimum, a wireless link inside the UHV chamber becomes essential. We present a MATLAB simulation of the problem, and then demonstrate a hardware scheme between a Gumstix computer and a Linux based laptop for controlling nano-manipulators with three degrees of freedom. © 2011 IEEE.

  4. Entanglement Transfer in a Four-Qubit Dimerized Heisenberg System

    Institute of Scientific and Technical Information of China (English)

    SHAO Bin; HUANG Min; WANG Zhao-ming; ZOU Jian

    2008-01-01

    Entanglement transfer is investigated in a dimerized Heisenberg system.Coneurrence as the measure of entanglement is calculated by the time-evolved state starting from an initially entangled state of spin pair.It is shown that perfect entanglement transfer can be realized at 80me special time and suitable interacting.

  5. Excitation energy transfer in donor-bridge-acceptor systems.

    Science.gov (United States)

    Albinsson, Bo; Mårtensson, Jerker

    2010-07-21

    This perspective will focus on the mechanistic aspects of singlet and triplet excitation energy transfer. Well defined donor-bridge-acceptor systems specifically designed for investigating the distance and energy gap dependencies of the energy transfer reactions are discussed along with some recent developments in computational modeling of the electronic coupling.

  6. Quantifying electron transfer reactions in biological systems

    DEFF Research Database (Denmark)

    Sjulstok, Emil Sjulstok; Olsen, Jógvan Magnus Haugaard; Solov'yov, Ilia A

    2015-01-01

    Various biological processes involve the conversion of energy into forms that are usable for chemical transformations and are quantum mechanical in nature. Such processes involve light absorption, excited electronic states formation, excitation energy transfer, electrons and protons tunnelling...... which for example occur in photosynthesis, cellular respiration, DNA repair, and possibly magnetic field sensing. Quantum biology uses computation to model biological interactions in light of quantum mechanical effects and has primarily developed over the past decade as a result of convergence between...... quantum physics and biology. In this paper we consider electron transfer in biological processes, from a theoretical view-point; namely in terms of quantum mechanical and semi-classical models. We systematically characterize the interactions between the moving electron and its biological environment...

  7. Transfer alignment of shipborne inertial-guided weapon systems

    Institute of Scientific and Technical Information of China (English)

    Sun Changyue; Deng Zhenglong

    2009-01-01

    The transfer alignment problem of the shipborne weapon inertial navigation system (INS) is addressed. Specifically, two transfer alignment algorithms subjected to the ship motions induced by the waves are discussed. To consider the limited maneuver level performed by the ship, a new filter algorithm for transfer alignment methods using velocity and angular rate matching is first derived. And then an improved method using integrated velocity and integrated angular rate matching is introduced to reduce the effect of the ship body flexure. The simulation results show the feasibility and validity of the proposed transfer alignment algorithms.

  8. Radiation heat transfer shapefactors for combustion systems

    Science.gov (United States)

    Emery, A. F.; Johansson, O.; Abrous, A.

    1987-01-01

    The computation of radiation heat transfer through absorbing media is commonly done through the zoning method which relies upon values of the geometric mean transmittance and absorptance. The computation of these values is difficult and expensive, particularly if many spectral bands are used. This paper describes the extension of a scan line algorithm, based upon surface-surface radiation, to the computation of surface-gas and gas-gas radiation transmittances.

  9. Radiative transfer model for Solar System ices

    Science.gov (United States)

    Andrieu, F.; Schmidt, F.; Douté, S.; Schmitt, B.; Brissaud, O.

    2015-10-01

    We developed a radiative transfer model [1] that simulates the bidirectional reflectance of a contaminated slab layer of ice overlaying a granular medium, under geometrical optics conditions. Designed for planetary studies, this model has a fast computer implementation and thus is suitable for planetary high spatial/spectral resolution hyperspectral data analysis. We will present here its principles, its numerical and experimental validations and its possible applications.

  10. Quantum information storage and state transfer based on spin systems

    CERN Document Server

    Song, Z

    2004-01-01

    The idea of quantum state storage is generalized to describe the coherent transfer of quantum information through a coherent data bus. In this universal framework, we comprehensively review our recent systematical investigations to explore the possibility of implementing the physical processes of quantum information storage and state transfer by using quantum spin systems, which may be an isotropic antiferromagnetic spin ladder system or a ferromagnetic Heisenberg spin chain. Our studies emphasize the physical mechanisms and the fundamental problems behind the various protocols for the storage and transfer of quantum information in solid state systems.

  11. Transfer function characterization of grazing incidence optical systems.

    Science.gov (United States)

    Harvey, J E; Moran, E C; Zmek, W P

    1988-04-15

    By using Fourier techniques and linear systems theory we have derived an analytic expression for a generalized transfer function for grazing incidence optical systems operating at ultraviolet and x-ray wavelengths that includes the effects of optical fabrication errors over the entire range of relevant spatial frequencies. The Fourier transform of this transfer function yields the image distribution (or point spread function) from which encircled energy characteristics or other image quality criteria can be obtained. This transfer function characterization of grazing incidence optical systems allows parametric trade studies and sensitivity analyses to be performed as well as the derivation of fabrication tolerances necessary to satisfy a given image quality requirement.

  12. Tandem catalysis of ring-closing metathesis/atom transfer radical reactions with homobimetallic ruthenium–arene complexes

    Directory of Open Access Journals (Sweden)

    Yannick Borguet

    2010-12-01

    Full Text Available The tandem catalysis of ring-closing metathesis/atom transfer radical reactions was investigated with the homobimetallic ruthenium–indenylidene complex [(p-cymeneRu(μ-Cl3RuCl(3-phenyl-1-indenylidene(PCy3] (1 to generate active species in situ. The two catalytic processes were first carried out independently in a case study before the whole sequence was optimized and applied to the synthesis of several polyhalogenated bicyclic γ-lactams and lactones from α,ω-diene substrates bearing trihaloacetamide or trichloroacetate functionalities. The individual steps were carefully monitored by 1H and 31P NMR spectroscopies in order to understand the intimate details of the catalytic cycles. Polyhalogenated substrates and the ethylene released upon metathesis induced the clean transformation of catalyst precursor 1 into the Ru(II–Ru(III mixed-valence compound [(p-cymeneRu(μ-Cl3RuCl2(PCy3], which was found to be an efficient promoter for atom transfer radical reactions under the adopted experimental conditions.

  13. Interatomic Coulombic electron capture in atomic, molecular, and quantum dot systems

    Directory of Open Access Journals (Sweden)

    Bande Annika

    2015-01-01

    Full Text Available The interatomic Coulombic electron capture (ICEC process has recently been predicted theoretically for clusters of atoms and molecules. For an atom A capturing an electron e(ε it competes with the well known photorecombination, because in an environment of neutral or anionic neighboring atoms B, A can transfer its excess energy in the ultrafast ICEC process to B which is then ionized. The cross section for e(ε + A + B → A− + B+ + e(ε′ has been obtained in an asymptotic approximation based on scattering theory for several clusters [1,2]. It was found that ICEC starts dominating the PR for distances among participating species of nanometers and lower. Therefore, we believe that the ICEC process might be of importance in the atmosphere, in biological systems, plasmas, or in nanostructured materials. As an example for the latter, ICEC has been investigated by means of electron dynamics in a model potential for semiconductor double quantum dots (QDs [3]. In the simplest case one QD captures an electron while the outgoing electron is emitted from the other. The reaction probability for this process was found to be relatively large.

  14. Oxygen-atom transfer chemistry and thermolytic properties of a di-tert-butylphosphate-ligated Mn4O4 cubane.

    Science.gov (United States)

    Van Allsburg, Kurt M; Anzenberg, Eitan; Drisdell, Walter S; Yano, Junko; Tilley, T Don

    2015-03-16

    [Mn4O4{O2P(OtBu)2}6] (1), an Mn4O4 cubane complex combining the structural inspiration of the photosystem II oxygen-evolving complex with thermolytic precursor ligands, was synthesized and fully characterized. Core oxygen atoms within complex 1 are transferred upon reaction with an oxygen-atom acceptor (PEt3), to give the butterfly complex [Mn4O2{O2P(OtBu)2}6(OPEt3)2]. The cubane structure is restored by reaction of the latter complex with the O-atom donor PhIO. Complex 1 was investigated as a precursor to inorganic Mn metaphosphate/pyrophosphate materials, which were studied by X-ray absorption spectroscopy to determine the fate of the Mn4O4 unit. Under the conditions employed, thermolyses of 1 result in reduction of the manganese to Mn(II) species. Finally, the related butterfly complex [Mn4O2{O2P(pin)}6(bpy)2] (pin = pinacolate) is described.

  15. Phonon-assisted excitation energy transfer in photosynthetic systems

    Science.gov (United States)

    Chen, Hao; Wang, Xin; Fang, Ai-Ping; Li, Hong-Rong

    2016-09-01

    The phonon-assisted process of energy transfer aiming at exploring the newly emerging frontier between biology and physics is an issue of central interest. This article shows the important role of the intramolecular vibrational modes for excitation energy transfer in the photosynthetic systems. Based on a dimer system consisting of a donor and an acceptor modeled by two two-level systems, in which one of them is coupled to a high-energy vibrational mode, we derive an effective Hamiltonian describing the vibration-assisted coherent energy transfer process in the polaron frame. The effective Hamiltonian reveals in the case that the vibrational mode dynamically matches the energy detuning between the donor and the acceptor, the original detuned energy transfer becomes resonant energy transfer. In addition, the population dynamics and coherence dynamics of the dimer system with and without vibration-assistance are investigated numerically. It is found that, the energy transfer efficiency and the transfer time depend heavily on the interaction strength of the donor and the high-energy vibrational mode, as well as the vibrational frequency. The numerical results also indicate that the initial state and dissipation rate of the vibrational mode have little influence on the dynamics of the dimer system. Results obtained in this article are not only helpful to understand the natural photosynthesis, but also offer an optimal design principle for artificial photosynthesis. Project supported by the National Natural Science Foundation of China (Grant No. 11174233).

  16. Synthesis, characterisation, and oxygen atom transfer reactions involving the first gold(I)-alkylperoxo complexes.

    Science.gov (United States)

    Collado, Alba; Gómez-Suárez, Adrián; Oonishi, Yoshihiro; Slawin, Alexandra M Z; Nolan, Steven P

    2013-11-25

    The synthesis of a new class of organogold species containing a peroxo moiety is reported. Complexes [Au(IPr)(OO(t)Bu)] and [Au(SIPr)(OO(t)Bu)] have been synthesised via a straightforward methodology using the parent gold(I) hydroxide complexes as synthons. These complexes have been successfully used in oxygen-transfer reactions to triphenylphosphine.

  17. High Quality Factor Resonators for Inductive Power Transfer Systems

    Science.gov (United States)

    Etemadrezaei, Mohammad

    In this dissertation, the Inductive Power Transfer (IPT) systems for multi-MHz frequency of operation are investigated, and new ideas for magnetic link inductive coils are presented. (Abstract shortened by ProQuest.).

  18. A compact atomic beam based system for Doppler-free laser spectroscopy of Strontium atoms

    OpenAIRE

    Verma, Gunjan; Vishwakarma, Chetan; Dharmadhikari, C. V.; Rapol, Umakant D.

    2016-01-01

    We report the construction of a simple, light weight and compact atomic beam spectroscopy cell for Strontium atoms. The cell is built using glass blowing technique and includes a simple Titanium Sublimation Pump for active pumping of the residual and background gases to maintain ultra-high vacuum. Commercially available and electrically heated dispenser source is used to generate the beam of Sr atoms. We perform spectroscopy on the $5s^2\\ ^1S_0\\longrightarrow 5s\\ 5p\\ ^1P_1$ transition to obta...

  19. Quantum Collapse and Revival of Atom in Mode-Mode Competing System

    Institute of Scientific and Technical Information of China (English)

    WU Qin; FANG Mao-Fa

    2005-01-01

    The atomic inversion dynamics in the mode-mode competing system is studied by means of fully quantum theory. A general solution to the Schrodinger equation of this system is obtained. The influence of the relative competing strength between the atom and the two-mode field on the atomic inversion is disccussed. We show that the presence of the mode-mode competition can result in periodical collapses-revivals of the atomic inversion.

  20. Low-Energy Charge Transfer in Multiply-Charged Ion-Atom Collisions Studied with the Combined SCVB-MOCC Approach

    Directory of Open Access Journals (Sweden)

    B. Zygelman

    2002-03-01

    Full Text Available A survey of theoretical studies of charge transfer involving collisions of multiply-charged ions with atomic neutrals (H and He is presented. The calculations utilized the quantum-mechanical molecular-orbital close-coupling (MOCC approach where the requisite potential curves and coupling matrix elements have been obtained with the spin-coupled valence bond (SCVB method. Comparison is made among various collision partners, for equicharged systems, where it is illustrated that even for total charge transfer cross sections, scaling-laws do not exist for low-energy collisions (i.e. < 1 keV/amu. While various empirical scaling-laws are well known in the intermediateand high-energy regimes, the multi-electron configurations of the projectile ions results in a rich and varied low-energy dependence, requiring an explicit calculation for each collision-partner pair. Future charge transfer problems to be addressed with the combined SCVB-MOCC approach are briefly discussed.

  1. Back-Influence of Molecular Motion on Energy Transfer in the Landau-Teller Model of Atom Molecule Scattering.

    Science.gov (United States)

    Pollak, Eli

    2016-07-21

    This year we celebrate the 80th anniversary of the Landau-Teller model for energy exchange in a collinear collision of an atom with a harmonic diatomic molecule. Even after 80 years though, the analytic theory to date has not included in it the back-influence of the oscillator's motion on the energy transfer between the approaching particle and the molecule. This is the topic of the present paper. The back-influence can be obtained by employing classical second-order perturbation theory. The second-order theory is used in both a classical and semiclassical context. Classically, analytic expressions are derived for the final phase and action of the diatom, after the collision. The energy loss of the atom is shown to decrease linearly with the increasing energy of the oscillator. The magnitude of this decrease is a direct consequence of the back-reaction of the oscillator on the translational motion. The qualitative result is universal, in the sense that it is not dependent on the details of the interaction of the atom with the oscillator. A numerical application to a model collision of an Ar atom with a Br2 diatom demonstrates the importance and accuracy of the second-order perturbation theory. The same results are then used to derive a second-order perturbation theory semiclassical expression for the quantum transition probability from initial vibrational state ni to final vibrational state nf of the oscillator. A comparison of the theory with exact quantum data is presented for a model collision of Br2 with a hydrogen molecule, where the hydrogen molecule is considered as a single approaching particle.

  2. Plasmid transfer systems in the rhizobia.

    Science.gov (United States)

    Ding, Hao; Hynes, Michael F

    2009-08-01

    Rhizobia are agriculturally important bacteria that can form nitrogen-fixing nodules on the roots of leguminous plants. Agricultural application of rhizobial inoculants can play an important role in increasing leguminous crop yields. In temperate rhizobia, genes involved in nodulation and nitrogen fixation are usually located on one or more large plasmids (pSyms) or on symbiotic islands. In addition, other large plasmids of rhizobia carry genes that are beneficial for survival and competition of rhizobia in the rhizosphere. Conjugative transfer of these large plasmids thus plays an important role in the evolution of rhizobia. Therefore, understanding the mechanism of conjugative transfer of large rhizobial plasmids provides foundations for maintaining, monitoring, and predicting the behaviour of these plasmids during field release events. In this minireview, we summarize two types of known rhizobial conjugative plasmids, including quorum sensing regulated plasmids and RctA-repressed plasmids. We provide evidence for the existence of a third type of conjugative plasmid, including pRleVF39c in Rhizobium leguminosarum bv. viciae strain VF39SM, and we provide a comparison of the different types of conjugation genes found in members of the rhizobia that have had their genomes sequenced so far.

  3. Transfer Function Model of Multirate Feedback Control Systems

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Based on the suitably defined multivariable version of Krancoperators and the extended input and output vectors, the multirate sampling plant is transformed to a equivalent time invariant single rate one, then the transfer function model of the multivariable multirate sampling plant is obtained. By combining this plant model with the time invariant description of the multirate controller in terms of extended vectors, the closed-loop transfer function model of the multirate feedback control system can be determinated. This transfer function model has a very simple structure, and can be used as a basis for the analysis and synthesis of the multirate sampling feedback control systems in the frequency domain.

  4. The atomic hydrogen cloud in the saturnian system

    Science.gov (United States)

    Tseng, W.-L.; Johnson, R. E.; Ip, W.-H.

    2013-09-01

    The importance of Titan's H torus shaped by solar radiation pressure and of hydrogen atoms flowing out of Saturn's atmosphere in forming the broad hydrogen cloud in Saturn's magnetosphere is still debated. Since the Saturnian system also contains a water product torus which originates from the Enceladus plumes, the icy ring particles, and the inner icy satellites, as well as Titan's H2 torus, we have carried out a global investigation of the atomic hydrogen cloud taking into account all sources. We show that the velocity and angle distributions of the hot H ejected from Saturn's atmosphere following electron-impact dissociation of H2 are modified by collisions with the ambient atmospheric H2 and H. This in turn affects the morphology of the escaping hydrogen from Saturn, as does the morphology of the ionospheric electron distribution. Although an exact agreement with the Cassini observations is not obtained, our simulations show that H directly escaping from Titan is the dominant contributor in the outer magnetosphere. Of the total number of H observed by Cassini from 1 to 5RS, ∼5.7×1034, our simulations suggest ∼20% is from dissociation in the Enceladus torus, ∼5-10% is from dissociation of H2 in the atmosphere of the main rings, and ∼50% is from Titan's H torus, implying that ∼20% comes from Saturn atmosphere.

  5. Excited, bound and resonant positron-atom systems

    Energy Technology Data Exchange (ETDEWEB)

    Bromley, M W J [Department of Physics and Computational Science Research Center, San Diego State University, San Diego CA 92182 (United States); Mitroy, J, E-mail: mbromley@physics.sdsu.ed [ARC Centre for Antimatter-Matter Studies and Faculty of Education, Health and Science, Charles Darwin University, Darwin NT 0909 (Australia)

    2010-01-01

    Calculations have demonstrated that eleven neutral atoms can bind positrons, while many more can bind positronium. This is a short review of recent progress made in understanding some of the underlying mechanisms. The emphasis here being on configuration interaction calculations with excited state configurations. These have demonstrated the existence of a {sup 2}P{sup o} excited state of e{sup +}Ca, which consists predominantly of a positronium cluster orbiting the Ca{sup +} ion in the L = 1 partial wave. Preliminary results are presented of excited state positron binding to a model alkali atom, where the excited {sup 1}P{sup o} states are stable over a limited region. Implications for the unnatural parity, {sup 2,4}S{sup o}, states of PsH, LiPs, NaPs and KPs are also discussed. The e{sup +}Mg, e{sup +}Cu, e{sup +}Zn and e{sup +}Cd systems show a lack of a {sup 2}P{sup o} excited state, each instead possessing a low-energy p-wave shape resonance of varying strength.

  6. Control of pneumatic transfer system for neutron activation analysis

    Energy Technology Data Exchange (ETDEWEB)

    Jung, H. S.; Chung, Y. S.; Wu, J. S.; Kim, H. K.; Choi, Y. S.; Kim, S. H.; Moon, J. H.; Baek, S. Y

    2000-06-01

    Pneumatic transfer system(PTS) is one of the facilities to be used in irradiation of target materials for neutron activation analysis(NAA) in the research reactor. There are two systems the manual and the automatic system in PTS of HANARO research reactor. The pneumatic transfer system consists of many devices, sends and loads the capsules from NAA laboratory into three holes in the reflector tank of reactor and retrieves irradiated capsules after irradiation. This report describes the part's design, control system and the operation procedures. All the algorithm described in the text will be used for maintenance and upgrading.

  7. Design of auto-tuning capacitive power transfer system for wireless power transfer

    Science.gov (United States)

    Lu, Kai; Kiong Nguang, Sing

    2016-09-01

    This paper presents the design of capacitive wireless power transfer systems based on a Class-E inverter approach. The main reason for adopting the Class-E inverter approach is because of its high efficiency, theoretically 100%. However, the operation of a Class-E inverter is highly sensitive to its circuit's parameters. In a typical capacitive wireless power transfer application, the capacitive coupling distance between plates is subject to changes, and hence its power transfer efficiency is greatly affected if the Class-E inverter is properly tuned. This drawback motivates us to develop an auto frequency tuning algorithm for a Class-E inverter which maintains its power transfer efficiency in spite of the variations of capacitive coupling distances between plates and circuit's parameters. Finally, simulation and experiment are carried out to verify the effectiveness of the auto frequency tuning algorithm.

  8. Integration of micro-fabricated atomic magnetometers on military systems

    Science.gov (United States)

    Schultz, Gregory; Mhaskar, Rahul; Prouty, Mark; Miller, Jonathan

    2016-05-01

    A new generation of ultra-high sensitivity magnetic sensors based on innovative micro-electromechanical systems (MEMS) are being developed and incorporated into military systems. Specifically, we are currently working to fully integrate the latest generation of MicroFabricated Atomic Magnetometers (MFAMs) developed by Geometrics on defense mobility systems such as unmanned systems, military vehicles and handheld units. Recent reductions in size, weight, and power of these sensors has enabled new deployment opportunities for improved sensitivity to targets of interest, but has also introduced new challenges associated with noise mitigation, mission configuration planning, and data processing. Our work is focused on overcoming the practical aspects of integrating these sensors with various military platforms. Implications associated with utilizing these combined sensor systems in working environments are addressed in order to optimize signal-to-noise ratios, detection probabilities, and false alarm mitigation. Specifically, we present collaborative work that bridges the gap between commercial specialists and operation platform integration organizations including magnetic signature characterization and mitigation as well as the development of simulation tools that consider a wide array of sensor, environmental, platform, and mission-level parameters. We discuss unique deployment concepts for explosive hazard target geolocation, and data processing. Applications include configurations for undersea and underground threat detection - particularly those associated with stationary or mobile explosives and compact metallic targets such as munitions, subsea threats, and other hazardous objects. We show the potential of current and future features of miniaturized magnetic sensors including very high magnetic field sensitivities, bandwidth selectivity, and array processing.

  9. Ionization and charge transfer in high-energy ion-atom collisions

    Energy Technology Data Exchange (ETDEWEB)

    Schlachter, A.S.; Berkner, K.H.; Stearns, J.W.; Schmidt-Boecking, H.; Kelbch, S.; Ullrich, J.; Hagmann, S.; Richard, P.; Stockli, M.P.; Graham, W.G.

    1986-11-01

    Electron capture and loss by fast highly charged ions in a gas target, and ionization of the target by passage of the fast projectile beam, are fundamental processes in atomic physics. These processes, along with excitation, can be experimentally studied separately (''singles'') or together (''coincidence''). This paper is a review of recent results on singles measurements for electron capture and loss and for target ionization, for velocities which are generally high relative to the active electron, including recent ionization measurements for a nearly relativistic projectile. 11 refs., 6 figs.

  10. Influence on Atomic Inversion Evolution in Medium System from Compton Scattering

    Institute of Scientific and Technical Information of China (English)

    HAO Xiao-fei; HAO Dong-shan

    2008-01-01

    In Jaynes-Cummings model, by using the modulation of the coupling coefficient formed by the atom, medium and scattering optical, atomic inversion evolution of arbitrary forms has been worked out. Its feasibility has been proved, and the curvature of the atomic inversion evolution of the arbitrary forms is obtained. It announces that the atom and coupling medium system are to express the operators of the atom and optical field quantum in Jaynes-Cummings model. These operators can express arbitrary medium system. In these systems, the coupling coefficient can be changed and exactly controlled in the longer coherent times.

  11. Quantum Entanglement in a System of Two Spatially Separated Atoms Coupled to the Thermal Reservoir

    Institute of Scientific and Technical Information of China (English)

    LIAO Xiang-Ping; FANG Mao-Fa; ZHENG Xiao-Juan; CAI Jian-Wu

    2006-01-01

    We study quantum entanglement between two spatially separated atoms coupled to the thermal reservoir. The influences of the initial state of the system, the atomic frequency difference and the mean number of the thermal field on the entanglement are examined. The results show that the maximum of the entanglement obtained with nonidentical atoms is greater than that obtained with identical atoms. The degree of entanglement is progressively decreased with the increase of the thermal noise. Interestingly, the two atoms can be easily entangled even when the two atoms are initially prepared in the most mixed states.

  12. Effect of pairwise dipole–dipole interaction among three-atom systems

    Indian Academy of Sciences (India)

    P Anantha Lakshmi; Ashoka Vudayagiri; Shaik Ahmed

    2014-08-01

    We present an analysis of a system of three two-level atoms interacting with one another through dipole–dipole interaction. The interaction manifests between the excited state of one of the atoms and the ground state of its nearest neighbour. Steady-state populations of the density matrix elements are presented and are compared with a situation when only two atoms are present. It can be noticed that the third atom modifies the behaviour of the three atoms. Two configurations are analysed, one in which the three atoms are in a line, with no interaction between atoms at the end points and the other in which the atoms form a closed loop with one atom interacting with both its neighbours.

  13. Fractional angular momentum in cold-atom systems.

    Science.gov (United States)

    Zhang, Yuhe; Sreejith, G J; Gemelke, N D; Jain, J K

    2014-10-17

    The quantum statistics of bosons or fermions are manifest through the even or odd relative angular momentum of a pair. We show theoretically that, under certain conditions, a pair of certain test particles immersed in a fractional quantum Hall state possesses, effectively, a fractional relative angular momentum, which can be interpreted in terms of fractional braid statistics. We propose that the fractionalization of the angular momentum can be detected directly through the measurement of the pair correlation function in rotating ultracold atomic systems in the fractional quantum Hall regime. Such a measurement will also provide direct evidence for the effective magnetic field resulting from Berry phases arising from attached vortices, and of excitations with a fractional particle number, analogous to the fractional charge of the electron fractional quantum Hall effect.

  14. Fractional Angular Momentum in Cold-Atom Systems

    Science.gov (United States)

    Zhang, Yuhe; Sreejith, G. J.; Gemelke, N. D.; Jain, J. K.

    2014-10-01

    The quantum statistics of bosons or fermions are manifest through the even or odd relative angular momentum of a pair. We show theoretically that, under certain conditions, a pair of certain test particles immersed in a fractional quantum Hall state possesses, effectively, a fractional relative angular momentum, which can be interpreted in terms of fractional braid statistics. We propose that the fractionalization of the angular momentum can be detected directly through the measurement of the pair correlation function in rotating ultracold atomic systems in the fractional quantum Hall regime. Such a measurement will also provide direct evidence for the effective magnetic field resulting from Berry phases arising from attached vortices, and of excitations with a fractional particle number, analogous to the fractional charge of the electron fractional quantum Hall effect.

  15. String order via Floquet interactions in atomic systems

    Science.gov (United States)

    Lee, Tony E.; Joglekar, Yogesh N.; Richerme, Philip

    2016-08-01

    We study the transverse-field Ising model with interactions that are modulated in time. In a rotating frame, the system is described by a time-independent Hamiltonian with many-body interactions, similar to the cluster Hamiltonians of measurement-based quantum computing. In one dimension, there is a three-body interaction, which leads to string order instead of conventional magnetic order. We show that the string order is robust to power-law interactions that decay with the cube of distance. In two and three dimensions, there are five- and seven-body interactions. We discuss adiabatic preparation of the ground state as well as experimental implementation with trapped ions, Rydberg atoms, and polar molecules.

  16. Electromagnetically induced absorption due to transfer of coherence and coherence population oscillation for the Fg = 3 →Fe = 4 transition in 85Rb atoms

    Science.gov (United States)

    Rehman, Hafeez Ur; Mohsin, Muhammad Qureshi; Noh, Heung-Ryoul; Kim, Jin-Tae

    2016-12-01

    Lineshapes for the electromagnetically induced absorption (EIA) of thermal 85Rb atoms in a degenerate two-level system have been investigated using matching (σ∥σ , π∥π) and orthogonal (σ ⊥ σ , π ⊥ π) polarization configurations of coupling and probe beams. EIA signals, which result from coherence population oscillation and transfer of coherence of the excited state, are obtained in detail theoretically and experimentally. The observed EIA linewidths, which are limited due to the decoherence rate between the magnetic sublevels in the ground state from transit-time relaxation, match well with the calculated ones. Decompositions of the absorption signals analyzed with respect to magnetic sublevels of the ground state show that enhanced or decreased absorption signals for each component of magnetic sublevels in the ground state depend on several factors. These factors include the decay rates and transition strengths, which determine the overall absorption spectral profile.

  17. Accelerated Oxygen Atom Transfer and C-H Bond Oxygenation by Remote Redox Changes in Fe3 Mn-Iodosobenzene Adducts.

    Science.gov (United States)

    de Ruiter, Graham; Carsch, Kurtis M; Gul, Sheraz; Chatterjee, Ruchira; Thompson, Niklas B; Takase, Michael K; Yano, Junko; Agapie, Theodor

    2017-03-24

    We report the synthesis, characterization, and reactivity of [LFe3 (PhPz)3 OMn((s) PhIO)][OTf]x (3: x=2; 4: x=3), where 4 is one of very few examples of iodosobenzene-metal adducts characterized by X-ray crystallography. Access to these rare heterometallic clusters enabled differentiation of the metal centers involved in oxygen atom transfer (Mn) or redox modulation (Fe). Specifically, (57) Fe Mössbauer and X-ray absorption spectroscopy provided unique insights into how changes in oxidation state (Fe(III)2 Fe(II) Mn(II) vs. Fe(III)3 Mn(II) ) influence oxygen atom transfer in tetranuclear Fe3 Mn clusters. In particular, a one-electron redox change at a distal metal site leads to a change in oxygen atom transfer reactivity by ca. two orders of magnitude.

  18. Charge Transfer in Multiple Site Chemical Systems.

    Science.gov (United States)

    2014-09-26

    as catalysis , photoredox systems, and studies of the fundamental properties of film-coated electrodes. 8 One method of attachment of metal complexes...reduction ot Ru(bpy)33+ by released ocalate, the photocurrent in the heterogeneous system remained fairly stable over the period of 2-3 hours if

  19. Highly selective capture of nucleosides with boronic acid functionalized polymer brushes prepared by atom transfer radical polymerization.

    Science.gov (United States)

    Cheng, Ting; Zhu, Shuqiang; Zhu, Bin; Liu, Xiaoyan; Zhang, Haixia

    2016-04-01

    The nucleoside or modified nucleoside level in biological fluids reflects the pathological or physiological state of the body. Boronate affinity absorbents are widely used to selectively extract nucleosides from complex samples. In this work, a novel functionalized absorbent was synthesized by attaching 4-mercaptophenylboronic acid to gold nanoparticles on modified attapulgite. The surface of the attapulgite was modified by poly(acryloyloxyethyltrimethyl ammonium chloride) by atom transfer radical polymerization, creating many polymer brushes on the surface. The resultant material exhibited superior binding capacity (30.83 mg/g) for adenosine and was able to capture cis-diol nucleosides from 1000-fold interferences. Finally, to demonstrate its potential for biomolecule extraction, this boronate affinity material was used to preconcentrate nucleosides from human urine and plasma.

  20. Bottom-Up Fabrication of Nanopatterned Polymers on DNA Origami by In Situ Atom-Transfer Radical Polymerization.

    Science.gov (United States)

    Tokura, Yu; Jiang, Yanyan; Welle, Alexander; Stenzel, Martina H; Krzemien, Katarzyna M; Michaelis, Jens; Berger, Rüdiger; Barner-Kowollik, Christopher; Wu, Yuzhou; Weil, Tanja

    2016-05-04

    Bottom-up strategies to fabricate patterned polymers at the nanoscale represent an emerging field in the development of advanced nanodevices, such as biosensors, nanofluidics, and nanophotonics. DNA origami techniques provide access to distinct architectures of various sizes and shapes and present manifold opportunities for functionalization at the nanoscale with the highest precision. Herein, we conduct in situ atom-transfer radical polymerization (ATRP) on DNA origami, yielding differently nanopatterned polymers of various heights. After cross-linking, the grafted polymeric nanostructures can even stably exist in solution without the DNA origami template. This straightforward approach allows for the fabrication of patterned polymers with low nanometer resolution, which provides access to unique DNA-based functional hybrid materials.

  1. Surface-Initiated Atom Transfer Radical Polymerization and Electrografting Technique as a Means For Attaining Tailor-Made Polymer Coatings

    DEFF Research Database (Denmark)

    Chernyy, Sergey

    2012-01-01

    Atom transfer radical polymerization initiated from a surface of various substrates (SI-ATRP) has become a progressively popular technique for obtaining thin polymer films with predetermined properties. The present work addresses the main features of SI-ATRP with respect to the controllability......, rates of polymerization, suitable monomers, reaction mixture compositions etc. An alternative potential-driven polymerization approach is discussed, although to a smaller extent. Chapter 1 provides an overview of controlled/living polymerization techniques with an accent made on ATRP. Different...... strategies for initiator grafting, physicochemical properties of polymer brushes and basic principles of quartz crystal microbalance technique (QCM) are discussed. In Chapter 2 various ATRP conditions are probed. The effects of solvent polarity, monomer concentration, initiator surface density, ligand nature...

  2. Development of atom transfer radical polymer-modified gold nanoparticle-based enzyme-linked immunosorbent assay (ELISA).

    Science.gov (United States)

    Chen, Feng; Hou, Shike; Li, Qingsheng; Fan, Haojun; Fan, Rong; Xu, Zhongwei; Zhala, Gahu; Mai, Xia; Chen, Xiaoyi; Chen, Xuyi; Liu, Yingfu

    2014-10-21

    In this work, a novel enzyme-linked immunosorbent assay (ELISA) with a low limit of detection and high sensitivity was developed using atom transfer radical polymer (ATRP)-modified gold nanoparticles (AuNPs). Clear signal amplification was achieved by introducing an abundance of horseradish peroxidase (HRP) to the AuNPs, because of the ATRP modification. This result suggested that the new ELISA was able to detect antigens in complex mixtures, and the limit of detection (LOD) was lower than that of conventional ELISA by a factor of 81. The new ELISA strategy greatly decreased the LOD during analysis and exhibited excellent reproducibility, stability, and feasibility. Therefore, it is a promising technique with many potential applications in biochemistry and medical science research.

  3. Lewis‐Acid‐assisted Hydrogen Atom Transfer to Manganese(V)‐Oxo Corrole through Valence Tautomerization

    OpenAIRE

    Bougher, Curt J.; Abu‐Omar, Mahdi M.

    2016-01-01

    Abstract The kinetics of formation of the valence tautomers (tpfc⋅)MnIV(O−LA)] n+ [where LA=ZnII, CaII, ScIII, YbIII, B(C6F5)3, and trifluoroacetic acid (TFA); tpfc=5,10,15‐tris(pentafluorophenyl) corrole] from (tpfc)MnV(O) were followed by UV/Vis spectroscopy, giving second‐order rate constants ranging over five orders of magnitude from 10−2 for Ca to 103  m −1 s−1 for Sc. Hydrogen atom transfer (HAT) rates from 2,4‐di‐tert‐butyl phenol (2,4‐DTBP) to the various Lewis acid valence tautomers ...

  4. Upper Secondary Students' Understanding of the Basic Physical Interactions in Analogous Atomic and Solar Systems

    Science.gov (United States)

    Taber, Keith S.

    2013-01-01

    Comparing the atom to a "tiny solar system" is a common teaching analogy, and the extent to which learners saw the systems as analogous was investigated. English upper secondary students were asked parallel questions about the physical interactions between the components of a simple atomic system and a simple solar system to investigate…

  5. Eikonal approximation for charge transfer from a multielectron atom to fast projectiles

    Science.gov (United States)

    Ho, T. S.; Lieber, M.; Chan, F. T.; Omidvar, K.

    1981-01-01

    The eikonal approach developed previously for calculating electron-capture cross sections for bare projectiles colliding with hydrogenic targets is extended here to allow for multielectron targets. Both the impact and wave pictures are employed and their equivalence is discussed. As a first approximation, each atomic orbital is specified by the three hydrogenic quantum numbers, an effective nuclear charge Z sub t, and an energy eigenvalue in the impact picture, or ionization potential in the wave picture. The Z sub t prime appearing in the eikonal phase factor is left undetermined because of incomplete information on the many-body target. However, analytic expressions are derived for the theoretical cross sections, and numerical values are calculated for simple choices of Z sub t prime. Those results are compared with existing experimental data for C, Ne, Ar, N2, O2, and He targets.

  6. SYNTHESIS OF POLY(METHYL METHACRYLATE)-graft-POLYSTYRENE BY ATOM TRANSFER RADICAL POLYMERIZATION

    Institute of Scientific and Technical Information of China (English)

    Sheng-min Gong; Qun-sheng Li; Yan Shi; Zhi-feng Fu; Shu-ke Jiao; Wan-tai Yang

    2003-01-01

    The radical copolymerization of methyl methacrylate and 2-hydroxyethyl methacrylate was carried out via atom complex. This polymerization proceeds in a living fashion with controlled molecular weight and low polydispersity. The obtained copolymer was esterified with 2-bromoisobutylryl bromide yielding a macroinitiator, poly(methyl methacrylate-co-2-hydroxyethyl methacrylate-co-2-(2-bromoisobutyryloxy)ethyl methacrylate), and its structure was characterized by 1HNMR. This macroinitiator was used for ATRP of styrene to synthesize poly(methyl methacrylate)-grafi-polystyrene. The molecular weight of graft copolymer increased with the monomer conversion, and the polydispersity remained relatively low.The individual grafted polystyrene chains were cleaved from the macroinitiator backbone by hydrolysis and the hydrolyzed product was characterized by 1H-NMR and GPC.

  7. Charge transfer on porous silicon membranes studied by current-sensing atomic force microscopy

    Institute of Scientific and Technical Information of China (English)

    Bing Xia; Qiang Miao; Jie Chao; Shou Jun Xiao; Hai Tao Wang; Zhong Dang Xiao

    2008-01-01

    A visible rectification effect on the current-voltage curves of metal/porous silicon/p-silicon has been observed by currentsensing atomic force microscopy.The current-voltage curves of porous silicon membranes with different porosities,prepared through variation of etching current density for a constant time,indicate that a higher porosity results in a higher resistance and thus a lower rectification,until the current reaches a threshold at a porosity>55%.We propose that the conductance mode in the porous silicon membrane with porosities>55% is mainly a hopping mechanism between nano-crystallites and an inverse static electric field between the porous silicon and p-Si interface blocks the electron injection from porous silicon to p-Si,but with porosities <55%,electron flows through a direct continuous channel between nano-crystallites.

  8. Transfer Matrix Method for Natural Vibration Analysis of Tree System

    Directory of Open Access Journals (Sweden)

    Bin He

    2012-01-01

    Full Text Available The application of Transfer matrix method (TMM ranges from linear/nonlinear vibration, composite structure, and multibody system to calculating static deformation, natural vibration, dynamical response, and damage identification. Generally TMM has two characteristics: (1 the TMM formulae share similarity to the chain mechanics model in terms of topology structure; then TMM often is selected as a powerful tool to analyze the chain system. (2 TMM is adopted to deal with the problems of the discrete system, continuous system, and especial discrete/continuous coupling system with the uniform matrix form. In this investigation, a novel TMM is proposed to analyze the natural vibration of the tree system. In order to make the TMM of the tree system have the two above advantages of the TMM of the chain system, the suitable state vectors and transfer matrices of the typical components of the tree system are constructed. Then the topology comparability between the mechanics model and its corresponding formulae of TMM can be adopted to assembling the transfer matrices and transfer equations of the global tree system. Two examples of natural vibration problems validating the method are given. The formulation of the proposed TMM is mathematically intuitive and can be held and applied by the engineers easily.

  9. Degrees of controllability for quantum systems and application to atomic systems

    Energy Technology Data Exchange (ETDEWEB)

    Schirmer, S.G.; Solomon, A.I. [Quantum Processes Group, Open University, Milton Keynes (United Kingdom)]. E-mails: S.G.Schirmer@open.ac.uk; A.I.Solomon@open.ac.uk; Leahy, J.V. [Department of Mathematics and Institute of Theoretical Science, University of Oregon, Eugene, OR (United States)]. E-mail: leahy@math.uoregon.edu

    2002-05-10

    Precise definitions for different degrees of controllability for quantum systems are given, and necessary and sufficient conditions for each type of controllability are discussed. The results are applied to determine the degree of controllability for various atomic systems with degenerate energy levels and transition frequencies. (author)

  10. Successful synchronization of the LHC's clockwise beam transfer system

    CERN Multimedia

    2008-01-01

    LHC synchronization test successful The synchronization of the LHC's clockwise beam transfer system and the rest of CERN's accelerator chain was successfully achieved last weekend. Tests began on Friday 8 August when a single bunch of a few particles was taken down the transfer line from the SPS accelerator to the LHC. After a period of optimization, one bunch was kicked up from the transfer line into the LHC beam pipe and steered about 3 kilometres around the LHC itself on the first attempt. On Saturday, the test was repeated several times to optimize the transfer before the operations group handed the machine back for hardware commissioning to resume on Sunday. The anti-clockwise synchronization systems will be tested over the weekend of 22 August.

  11. Transferring Strong Boundedness among Laguerre Orthogonal Systems

    Indian Academy of Sciences (India)

    I Abu-Falahah; R A Macías; C Segovia; J L Torrea

    2009-04-01

    Given the family of Laguerre polynomials, it is known that several orthonormal systems of Laguerre functions can be considered. In this paper we prove that an exhaustive knowledge of the boundedness in weighted $L^p$ of the heat and Poisson semigroups, Riesz transforms and -functions associated to a particular Laguerre orthonormal system of functions, implies a complete knowledge of the boundedness of the corresponding operators on the other Laguerre orthonormal system of functions. As a byproduct, new weighted $L^p$ boundedness are obtained. The method also allows us to get new weighted estimates for operators related with Laguerre polynomials.

  12. Transference and counter-transference in systems psychodynamic group process consultation: The consultant’s experience

    Directory of Open Access Journals (Sweden)

    F. Cilliers

    2004-10-01

    Full Text Available This study explored consultants’ experiences of transference and counter-transference when conducting group relations training from the systems psychodynamic stance. A phenomenological research design was used with semistructured interviews conducted on a purposive sample of 13 organisational development consultants in a financial institution. The data was analysed by means of content analysis. The results showed that consultants have varied receptiveness in terms of receiving projections and managing transference. These differences involve triggers, characteristics and systemic valence. The consultants experienced counter- transference on five different cognitive and emotional levels. Distinguishing between personal and group emotions, receiving projections and managing transference, all contribute to the complexity of organisational consulting. Opsomming Hierdie studie het ondersoek ingestel na konsultante se ervarings van oordrag en teen-oordrag tydens groepverhoudingsopleiding vanuit die sistemiese psigodinamiese posisie. ’n Fenomenologiese navorsingsontwerp is gebruik met semi-gestruktureerde onderhoude gevoer met ’n doelgerigte steekproef van 13 organisasie ontwikkelingskonsultante in ’n finansiële instelling. Die data is ontleed deur middel van inhoudsontleding. Die resultate het aangetoon dat konsultante uiteenlopende ontvanklikheid het wat betref die ontvangs van projeksies en die hantering van oordrag. Hierdie verskille behels snellers, kenmerke en sistemiese valensie. Die konsultante het teen-oordrag ervaar op vyf verskillende kognitiewe and emosionele vlakke. Om onderskeid te tref tussen persoonlike en groep-emosies, die ontvang van projeksies en die hantering van oordrag, dra alles by tot die kompleksiteit van konsultering.

  13. Protein-resistant polyurethane via surface-initiated atom transfer radical polymerization of oligo(ethylene glycol) methacrylate.

    Science.gov (United States)

    Jin, Zhilin; Feng, Wei; Zhu, Shiping; Sheardown, Heather; Brash, John L

    2009-12-15

    Protein-resistant polyurethane (PU) surfaces were prepared by surface-initiated simultaneous normal and reverse atom transfer radical polymerization (s-ATRP) of poly(oligo(ethylene glycol) methacrylate) (poly (OEGMA)). Oxygen plasma treatment was employed for initial activation of the PU surface. The grafted polymer chain length was adjusted by varying the molar ratio of monomer to sacrificial initiator in solution from 5:1 to 200:1. The modified PU surfaces were characterized by water contact angle, X-ray photoelectron spectroscopy (XPS), and atomic force microscopy (AFM). Protein adsorption experiments from tris-buffered saline (TBS) and plasma were carried out to evaluate the protein-resistance of the surfaces. Adsorption from single and binary protein solutions as well as from plasma was significantly reduced after modification. Adsorption decreased with increasing poly(OEGMA) chain length. Fibrinogen (Fg) adsorption on the 200:1 monomer/initiator surface was in the range of 3-33 ng/cm(2) representing 96-99% reduction compared with the unmodified PU. Fg adsorption from 0.01-10% plasma was as low as 1-5 ng/cm(2). Moreover, binary protein adsorption experiments using Fg and lysozyme (Lys) showed that protein size is a factor in the protein resistance of these surfaces.

  14. Hydrogel brushes grafted from stainless steel via surface-initiated atom transfer radical polymerization for marine antifouling

    Science.gov (United States)

    Wang, Jingjing; Wei, Jun

    2016-09-01

    Crosslinked hydrogel brushes were grafted from stainless steel (SS) surfaces for marine antifouling. The brushes were prepared by surface-initiated atom transfer radical polymerization (SI-ATRP) of 2-methacryloyloxyethyl phosphorylcholine (MPC) and poly(ethylene glycol) methyl ether methacrylate (PEGMA) respectively with different fractions of crosslinker in the feed. The grafted layers prepared with different thickness were characterized by X-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM), ellipsometry and water contact angle measurements. With the increase in the fraction of crosslinker in the feed, the thickness of the grafted layer increased and the surface became smooth. All the brush-coated SS surfaces could effectively reduce the adhesion of bacteria and microalgae and settlement of barnacle cyprids, as compared to the pristine SS surface. The antifouling efficacy of the PEGMA polymer (PPEGMA)-grafted surface was higher than that of the MPC polymer (PMPC)-grafted surfaces. Furthermore, the crosslinked hydrogel brush-grafted surfaces exhibited better fouling resistance than the non-crosslinked polymer brush-grafted surfaces, and the antifouling efficacy increased with the crosslinking density. These hydrogel coatings of low toxicity and excellent anti-adhesive characteristics suggested their useful applications as environmentally friendly antifouling coatings.

  15. Transfer Efficiency Analysis of Wireless Power Transfer System under Frequency Drift

    DEFF Research Database (Denmark)

    Huang, Shoudao; Li, Zhongqi; Lu, Kaiyuan

    2015-01-01

    Magnetic resonant wireless power transfer (WPT) is an emerging technology that may create new applications for wireless power charging. However, low efficiency resulting from resonant frequency drift is a main obstructing factor for promoting this technology. In this paper, the system efficiency...

  16. The Role of Mass Transfer in Membrane Systems

    Directory of Open Access Journals (Sweden)

    Levent Gürel

    2015-12-01

    Full Text Available Membranes are situated in the foreground among the considerably popular treatment systems in the last years. The use of membranes was become widespread in many fields such as drinking water treatment, wastewater treatment and obtaining drinking water from sea water. The predominance of membranes against the classical systems regarding the wastewater treatment, and the decreasing cost of membrane materials each day provided these systems to enter among the preferable options. There are considerably different types of membranes. Microfiltration (MF, ultrafiltration (UF, nanofiltration (NF and reverse osmosis (RO are the processes drawing most attention. One of the most important considerations in membrane processes is the amount of constituents passing from the membrane and rejecting by the membrane. Mass transfer concept arises in this place. Mass transfer is a critically important case used in the design of treatment systems and the estimation of efficiency. In addition to the points mentioned above, investigation of mass transfer occurring in membranes is important in comparing of different membrane types. In this review article, general information about the membranes, membrane types, uses of membranes and module designs are given, concept of mass transfer is viewed and the mass transfer processes realizing in these treatment systems are assessed.

  17. A transferable force field for CdS-CdSe-PbS-PbSe solid systems

    OpenAIRE

    Fan, Zhaochuan; Koster, Rik S.; Wang, Shuaiwei; Fang, Changming; Anil O. Yalcin; Frans D. Tichelaar; Zandbergen, Henny W.; Van Huis, Marijn A.; Vlugt, Thijs J H

    2014-01-01

    A transferable force field for the PbSe-CdSe solid system using the partially charged rigid ion model has been successfully developed and was used to study the cation exchange in PbSe-CdSe heteronanocrystals [A. O. Yalcin et al., "Atomic resolution monitoring of cation exchange in CdSe-PbSe heteronanocrystals during epitaxial solid-solid-vapor growth," Nano Lett. 14, 3661-3667 (2014)]. In this work, we extend this force field by including another two important binary semiconductors, PbS and C...

  18. Cryo-EM structures and atomic model of the HIV-1 strand transfer complex intasome.

    Science.gov (United States)

    Passos, Dario Oliveira; Li, Min; Yang, Renbin; Rebensburg, Stephanie V; Ghirlando, Rodolfo; Jeon, Youngmin; Shkriabai, Nikoloz; Kvaratskhelia, Mamuka; Craigie, Robert; Lyumkis, Dmitry

    2017-01-06

    Like all retroviruses, HIV-1 irreversibly inserts a viral DNA (vDNA) copy of its RNA genome into host target DNA (tDNA). The intasome, a higher-order nucleoprotein complex composed of viral integrase (IN) and the ends of linear vDNA, mediates integration. Productive integration into host chromatin results in the formation of the strand transfer complex (STC) containing catalytically joined vDNA and tDNA. HIV-1 intasomes have been refractory to high-resolution structural studies. We used a soluble IN fusion protein to facilitate structural studies, through which we present a high-resolution cryo-electron microscopy (cryo-EM) structure of the core tetrameric HIV-1 STC and a higher-order form that adopts carboxyl-terminal domain rearrangements. The distinct STC structures highlight how HIV-1 can use the common retroviral intasome core architecture to accommodate different IN domain modules for assembly.

  19. Operational test report for 2706-T complex liquid transfer system

    Energy Technology Data Exchange (ETDEWEB)

    BENZEL, H.R.

    1999-09-01

    This document is the Operational Test Report (OTR). It enters the Record Copy of the W-259 Operational Test Procedure (HNF-3610) into the document retrieval system. Additionally, the OTR summarizes significant issues associated with testing the 2706-T waste liquid transfer and storage system.

  20. Transfer Effects in Learning a Second Language Grammatical Gender System

    Science.gov (United States)

    Sabourin, Laura; Stowe, Laurie A.; de Haan, Ger J.

    2006-01-01

    In this article second language (L2) knowledge of Dutch grammatical gender is investigated. Adult speakers of German, English and a Romance language (French, Italian or Spanish) were investigated to explore the role of transfer in learning the Dutch grammatical gender system. In the first language (L1) systems, German is the most similar to Dutch…

  1. Single step synthesis of gold-amino acid composite, with the evidence of the catalytic hydrogen atom transfer (HAT) reaction, for the electrochemical recognition of Serotonin

    Science.gov (United States)

    Choudhary, Meenakshi; Siwal, Samarjeet; Nandi, Debkumar; Mallick, Kaushik

    2016-03-01

    A composite architecture of amino acid and gold nanoparticles has been synthesized using a generic route of 'in-situ polymerization and composite formation (IPCF)' [1,2]. The formation mechanism of the composite has been supported by a model hydrogen atom (H•≡H++e-) transfer (HAT) type of reaction which belongs to the proton coupled electron transfer (PCET) mechanism. The 'gold-amino acid composite' was used as a catalyst for the electrochemical recognition of Serotonin.

  2. Bayesian feedback control of a two-atom spin-state in an atom-cavity system

    CERN Document Server

    Brakhane, Stefan; Kampschulte, Tobias; Martinez-Dorantes, Miguel; Reimann, René; Yoon, Seokchan; Widera, Artur; Meschede, Dieter

    2012-01-01

    We experimentally demonstrate real-time feedback control of the joint spin-state of two neutral Caesium atoms inside a high finesse optical cavity. The quantum states are discriminated by their different cavity transmission levels. A Bayesian update formalism is used to estimate state occupation probabilities as well as transition rates. We stabilize the balanced two-atom mixed state, which is deterministically inaccessible, via feedback control and find very good agreement with Monte-Carlo simulations. On average, the feedback loops achieves near optimal conditions by steering the system to the target state marginally exceeding the time to retrieve information about its state.

  3. Relativistic calculations of the K-K charge transfer and K-vacancy production probabilities in low-energy ion-atom collisions

    CERN Document Server

    Tupitsyn, I I; Shabaev, V M; Bondarev, A I; Deyneka, G B; Maltsev, I A; Hagmann, S; Plunien, G; Stoehlker, Th

    2011-01-01

    The previously developed technique for evaluation of charge-transfer and electron-excitation processes in low-energy heavy-ion collisions [I.I. Tupitsyn et al., Phys. Rev. A 82, 042701(2010)] is extended to collisions of ions with neutral atoms. The method employs the active electron approximation, in which only the active electron participates in the charge transfer and excitation processes while the passive electrons provide the screening DFT potential. The time-dependent Dirac wave function of the active electron is represented as a linear combination of atomic-like Dirac-Fock-Sturm orbitals, localized at the ions (atoms). The screening DFT potential is calculated using the overlapping densities of each ions (atoms), derived from the atomic orbitals of the passive electrons. The atomic orbitals are generated by solving numerically the one-center Dirac-Fock and Dirac-Fock-Sturm equations by means of a finite-difference approach with the potential taken as the sum of the exact reference ion (atom) Dirac-Fock...

  4. Radiative transfer in atmosphere-sea ice-ocean system

    Energy Technology Data Exchange (ETDEWEB)

    Jin, Z.; Stamnes, K.; Weeks, W.F. [Univ. of Alaska, Fairbanks, AK (United States); Tsay, S.C. [NASA Goddard Space Flight Center, Greenbelt, MD (United States)

    1996-04-01

    Radiative energy is critical in controlling the heat and mass balance of sea ice, which significantly affects the polar climate. In the polar oceans, light transmission through the atmosphere and sea ice is essential to the growth of plankton and algae and, consequently, to the microbial community both in the ice and in the ocean. Therefore, the study of radiative transfer in the polar atmosphere, sea ice, and ocean system is of particular importance. Lacking a properly coupled radiative transfer model for the atmosphere-sea ice-ocean system, a consistent study of the radiative transfer in the polar atmosphere, snow, sea ice, and ocean system has not been undertaken before. The radiative transfer processes in the atmosphere and in the ice and ocean have been treated separately. Because the radiation processes in the atmosphere, sea ice, and ocean depend on each other, this separate treatment is inconsistent. To study the radiative interaction between the atmosphere, clouds, snow, sea ice, and ocean, a radiative transfer model with consistent treatment of radiation in the coupled system is needed and is under development.

  5. Information Entropy Squeezing for a Atom in Mode-Mode Competition System

    Institute of Scientific and Technical Information of China (English)

    WU Qin; FANG Mao-Fa; LI Shao-Xin; LI Ying; HU Yao-Hua

    2008-01-01

    The entropy squeezing properties for a two-level atom interacting with a two-mode field via two different competing transitions are investigated from a quantum information point of view. The influences of the initial state of the system and the relative coupling strength between the atom and the field on the atomic information entropy squeezing are discussed. Our results show that the squeezed direction and the frequency of the information entropy squeezing can be controlled by choosing the phase of the atom dipole and the relative competing strength of atom-field, respectively. We find that, under the same condition, no atomic variance squeezing is predicted from the HUR while optimal entropy squeezing is obtained from the EUR, so the quantum information entropy is a remarkable precision measure for the atomic squeezing in the considered system.

  6. Optical bistability enabled control of resonant light transmission for an atom-cavity system

    CERN Document Server

    Sawant, Rahul

    2015-01-01

    The control of light transmission through a Fabry-Perot cavity containing atoms is theoretically investigated, when the cavity mode beam and an intersecting control beam are both close to specific atomic resonances. A four-level atomic system is considered and its interaction with the cavity mode is studied by solving for the time dependent cavity field and atomic state populations. The conditions for optical bistability of the atom-cavity system are obtained in steady state limit. For an ensemble of atoms in the cavity mode, the response of the intra-cavity light intensity to the intersecting resonant beam is understood for stationary atoms (closed system) and non-static atoms (open system). The open system is modelled by adjusting the atomic state populations to represent the exchange of atoms in the cavity mode, with the thermal environment. The solutions to the model are used to qualitatively explain the observed steady state and transient behaviour of the light in the cavity mode, in Sharma et. al. [1]. ...

  7. Security on Fingerprint Data Transfer System

    Directory of Open Access Journals (Sweden)

    Hinal Modi

    2014-05-01

    Full Text Available Nowadays, the data can undergo grave modifications (access to the credit cards, the transactions in e-commerce, espionage of the secret information in military doma in, theft bio metrics information especially through transmissions on the insecure network or internet. Where, it is necessary to look a robust method to secure the data. In this work we a re focusing on matching data pattern along with all security assurance, so that we can provide discrete wavelet transform watermarking and en-decryption using confusion and diffusion method. The encryption method is based on XORing the message bytes and, it is the key used for encryption and decryption that makes the process of cryptography secure because key was automatically taken by system.Its performance with bio met ric information (finger print using MATLA B 7.10(R20109.

  8. Security on Fingerprint Data Transfer System

    Directory of Open Access Journals (Sweden)

    Hinal Modi

    2015-11-01

    Full Text Available Nowadays, the data can undergo grave modifications (access to the credit cards, the transactions in e-commerce, espionage of the secret information in military domain, theft biometrics information especially through transmissions on the insecure network or internet. Where, it is necess ary to look a robust method to secure the data. In this work we are focusing on matching data pattern along with all security assurance, so that we can provide discrete wavelet transform watermarking and en-decryption using confusion and diffusion method. The encryption method is based on XORing the message bytes and, it is the key used for encryption and decryption that makes the process of cryptography secure because key was automatically taken by system. Its performance with biomet ric information (fingerprint using MATLAB 7.10(R20109.

  9. Heat transfer fluids for solar DHW systems

    Energy Technology Data Exchange (ETDEWEB)

    Wedel, S.; Bezzel, E.

    2000-07-01

    The aim of this work was to investigate the sudden clogging of the pipes in collectors as a consequence of liquid deterioration after repeated boiling during stagnation. A method to perform simple screening as accelerated tests of a large number liquid of samples subjected to various chemical- and physical environments have been designed. The acceleration factor of experiments relative to real systems is quite substantial primarily due to the extensive stress cycles in tests. Possible degradation mechanisms have been investigated and generally, there are two different paths to degradation of glycol: Thermal degradation and oxidative degradation primarily yielding propylene derivatives and carboxylic acids respectively. Polymerisation is an obvious possibility in a system containing various organic compounds such as acids and alcohols. Consequently, the reaction patterns alter making room for alternative interconnected mechanisms thus generating a broad spectrum of possible degradation products. Reserve alkalinity and pH are somewhat unreliable means of solely estimating the state of a liquid in relation to degradation and precipitation, as curvature of the RA-pH relations are different from liquid to liquid. For the majority of liquids, precipitation is not correlated with pH and RA. Coloration and precipitation in the liquid phase during stagnation separated liquids in two sub-categories. Fluids with inhibitor have sparing to moderate sedimentation and are brownish-black due to deterioration. Glycols without additives were either pale or colourless and did not precipitate. During normal operation, all fluids are clear and transparent and the majority has the same initial colour. The same distinction in liquids was observed on examination on the inside surface of the tubes concerning extent and the quantity of deposit. Liquids with additives tend to have significantly more deposit covering a larger surface than liquids without. Visual evaluation has proved that

  10. Polaron assisted charge transfer in model biological systems

    Science.gov (United States)

    Li, Guangqi; Movaghar, Bijan

    2016-11-01

    We use a tight binding Hamiltonian to simulate the electron transfer from an initial charge-separating exciton to a final target state through a two-arm transfer model. The structure is copied from the model frequently used to describe electron harvesting in photosynthesis (photosystems I). We use this network to provide proof of principle for dynamics, in quantum system/bath networks, especially those involving interference pathways, and use these results to make predictions on artificially realizable systems. Each site is coupled to the phonon bath via several electron-phonon couplings. The assumed large energy gaps and weak tunneling integrals linking the last 3 sites give rise to"Stark Wannier like" quantum localization; electron transfer to the target cluster becomes impossible without bath coupling. As a result of the electron-phonon coupling, local electronic energies relax when the site is occupied, and transient polaronic states are formed as photo-generated electrons traverse the system. For a symmetric constructively interfering two pathway network, the population is shared equally between two sets of equivalent sites and therefore the polaron energy shift is smaller. The smaller energy shift however makes the tunnel transfer to the last site slower or blocks it altogether. Slight disorder (or thermal noise) can break the symmetry, permitting essentially a "one path", and correspondingly more efficient transfer.

  11. On coarse projective integration for atomic deposition in amorphous systems

    Energy Technology Data Exchange (ETDEWEB)

    Chuang, Claire Y., E-mail: yungc@seas.upenn.edu, E-mail: meister@unm.edu, E-mail: zepedaruiz1@llnl.gov; Sinno, Talid, E-mail: talid@seas.upenn.edu [Department of Chemical and Biomolecular Engineering, University of Pennsylvania, 220 South 33rd Street, 311A Towne Building, Philadelphia, Pennsylvania 19104 (United States); Han, Sang M., E-mail: yungc@seas.upenn.edu, E-mail: meister@unm.edu, E-mail: zepedaruiz1@llnl.gov [Department of Chemical and Biological Engineering, University of New Mexico, 1 University of New Mexico, MSC01 1120, Albuquerque, New Mexico 87131 (United States); Zepeda-Ruiz, Luis A., E-mail: yungc@seas.upenn.edu, E-mail: meister@unm.edu, E-mail: zepedaruiz1@llnl.gov [Lawrence Livermore National Laboratory, P.O. Box 808, L-367, Livermore, California 94550 (United States)

    2015-10-07

    Direct molecular dynamics simulation of atomic deposition under realistic conditions is notoriously challenging because of the wide range of time scales that must be captured. Numerous simulation approaches have been proposed to address the problem, often requiring a compromise between model fidelity, algorithmic complexity, and computational efficiency. Coarse projective integration, an example application of the “equation-free” framework, offers an attractive balance between these constraints. Here, periodically applied, short atomistic simulations are employed to compute time derivatives of slowly evolving coarse variables that are then used to numerically integrate differential equations over relatively large time intervals. A key obstacle to the application of this technique in realistic settings is the “lifting” operation in which a valid atomistic configuration is recreated from knowledge of the coarse variables. Using Ge deposition on amorphous SiO{sub 2} substrates as an example application, we present a scheme for lifting realistic atomistic configurations comprised of collections of Ge islands on amorphous SiO{sub 2} using only a few measures of the island size distribution. The approach is shown to provide accurate initial configurations to restart molecular dynamics simulations at arbitrary points in time, enabling the application of coarse projective integration for this morphologically complex system.

  12. A study on the improvement of the legal system concerning Korean Atomic Energy Act

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, Il Un; Jung, Jong Hak; Kim, Jae Ho; Moon, Jong Wook; Kim, In Sub [Chungnam National Univ., Taejon (Korea, Republic of)

    1998-03-15

    Cause-effect analysis, adjustment, and generalization of the current atomic energy act are contents of this research. These are to be based on the legal theory. Analysis of the current atomic energy act from the viewpoint of constitutional law and administrative law. Review of the other domestic legal systems which have similar problems as the atomic energy act has. Inquiry about the operation of nuclear legal systems of foreign nations.

  13. Specific Heat Properties of Proton Transfer in Hydrogen Bonded Systems

    Institute of Scientific and Technical Information of China (English)

    庞小峰; 封原平

    2003-01-01

    The thermodynamic properties of proton transport along hydrogen-bonded systems at finite temperatures have been studied by our model. We first derive the dynamic equations of the proton transport and find the solutions and the free energy of the systems. Finally, we obtain the specific heats of the hydrogen bonded systems, resulting from the motion of the soliton, by using transfer integral way. The theoretical value is basically consistent with the experimental data.

  14. Phase-controlled atom-photon entanglement in a three-level ∧-type closed-loop atomic system

    Institute of Scientific and Technical Information of China (English)

    Ali Mortezapour; Zeinab Kordi; Mohammad Mahmoudi

    2013-01-01

    We study the entanglement of dressed atom and its spontaneous emission in a three-level A-type closed-loop atomic system in a multi-photon resonance condition and beyond it.It is shown that the von Neumann entropy in such a system is phase-dependent,and it can be controlled by either the intensity or relative phase of applied fields.It is demonstrated that for the special case of the Rabi frequency of applied fields,the system is disentangled.In addition,we take into account the effect of Doppler broadening on the entanglement and it is found that a suitable choice of laser propagation direction allows us to obtain the steady state degree of entanglement (DEM) even in the presence of the Doppler effect.

  15. Acrylamide-b-N-isopropylacrylamide block copolymers : Synthesis by atomic transfer radical polymerization in water and the effect of the hydrophilic-hydrophobic ratio on the solution properties

    NARCIS (Netherlands)

    Wever, Diego Armando Z.; Ramalho, Graham; Picchioni, Francesco; Broekhuis, Antonius Augustinus

    2014-01-01

    A series of block copolymers of acrylamide and N-isopropylacrylamide (NIPAM) characterized by different ratios between the length of the two blocks have been prepared through atomic transfer radical polymerization in water at room temperature. The solution properties of the block copolymers were cor

  16. Effects of dipole-dipole interaction on entanglement transfer

    Institute of Scientific and Technical Information of China (English)

    Guo Hong; Xiong Heng-Na

    2008-01-01

    A system consisting of two different atoms interacting with a two-mode vacuum, where each atom is resonant only with one cavity mode, is considered.The effects of dipole-dipole (dd) interaction between two atoms on the atom-atom entanglement and mode-mode entanglement are investigated. For a weak dd interaction, when the atoms are initially separable, the entanglement between them can be induced by the dd interaction, and the entanglement transfer between the atoms and the modes occurs efficiently; when the atoms are initially entangled, the entanglement transfer is almost not influenced by the dd interaction. However, for a strong dd interaction, it is difficult to transfer the entanglement from the atoms to the modes, but the atom-atom entanglement can be maintained when the atoms are initially entangled.

  17. Optimal Energy Transfer in Light-Harvesting Systems

    Directory of Open Access Journals (Sweden)

    Lipeng Chen

    2015-08-01

    Full Text Available Photosynthesis is one of the most essential biological processes in which specialized pigment-protein complexes absorb solar photons, and with a remarkably high efficiency, guide the photo-induced excitation energy toward the reaction center to subsequently trigger its conversion to chemical energy. In this work, we review the principles of optimal energy transfer in various natural and artificial light harvesting systems. We begin by presenting the guiding principles for optimizing the energy transfer efficiency in systems connected to dissipative environments, with particular attention paid to the potential role of quantum coherence in light harvesting systems. We will comment briefly on photo-protective mechanisms in natural systems that ensure optimal functionality under varying ambient conditions. For completeness, we will also present an overview of the charge separation and electron transfer pathways in reaction centers. Finally, recent theoretical and experimental progress on excitation energy transfer, charge separation, and charge transport in artificial light harvesting systems is delineated, with organic solar cells taken as prime examples.

  18. Optimal Energy Transfer in Light-Harvesting Systems.

    Science.gov (United States)

    Chen, Lipeng; Shenai, Prathamesh; Zheng, Fulu; Somoza, Alejandro; Zhao, Yang

    2015-08-20

    Photosynthesis is one of the most essential biological processes in which specialized pigment-protein complexes absorb solar photons, and with a remarkably high efficiency, guide the photo-induced excitation energy toward the reaction center to subsequently trigger its conversion to chemical energy. In this work, we review the principles of optimal energy transfer in various natural and artificial light harvesting systems. We begin by presenting the guiding principles for optimizing the energy transfer efficiency in systems connected to dissipative environments, with particular attention paid to the potential role of quantum coherence in light harvesting systems. We will comment briefly on photo-protective mechanisms in natural systems that ensure optimal functionality under varying ambient conditions. For completeness, we will also present an overview of the charge separation and electron transfer pathways in reaction centers. Finally, recent theoretical and experimental progress on excitation energy transfer, charge separation, and charge transport in artificial light harvesting systems is delineated, with organic solar cells taken as prime examples.

  19. Plasmons in nanoscale and atomic-scale systems

    Directory of Open Access Journals (Sweden)

    Tadaaki Nagao, Gui Han, ChungVu Hoang, Jung-Sub Wi, Annemarie Pucci, Daniel Weber, Frank Neubrech, Vyacheslav M Silkin, Dominik Enders, Osamu Saito and Masud Rana

    2010-01-01

    Full Text Available Plasmons in metallic nanomaterials exhibit very strong size and shape effects, and thus have recently gained considerable attention in nanotechnology, information technology, and life science. In this review, we overview the fundamental properties of plasmons in materials with various dimensionalities and discuss the optical functional properties of localized plasmon polaritons in nanometer-scale to atomic-scale objects. First, the pioneering works on plasmons by electron energy loss spectroscopy are briefly surveyed. Then, we discuss the effects of atomistic charge dynamics on the dispersion relation of propagating plasmon modes, such as those for planar crystal surface, atomic sheets and straight atomic wires. Finally, standing-wave plasmons, or antenna resonances of plasmon polariton, of some widely used nanometer-scale structures and atomic-scale wires (the smallest possible plasmonic building blocks are exemplified along with their applications.

  20. Emulating solid-state physics with a hybrid system of ultracold ions and atoms.

    Science.gov (United States)

    Bissbort, U; Cocks, D; Negretti, A; Idziaszek, Z; Calarco, T; Schmidt-Kaler, F; Hofstetter, W; Gerritsma, R

    2013-08-23

    We propose and theoretically investigate a hybrid system composed of a crystal of trapped ions coupled to a cloud of ultracold fermions. The ions form a periodic lattice and induce a band structure in the atoms. This system combines the advantages of high fidelity operations and detection offered by trapped ion systems with ultracold atomic systems. It also features close analogies to natural solid-state systems, as the atomic degrees of freedom couple to phonons of the ion lattice, thereby emulating a solid-state system. Starting from the microscopic many-body Hamiltonian, we derive the low energy Hamiltonian, including the atomic band structure, and give an expression for the atom-phonon coupling. We discuss possible experimental implementations such as a Peierls-like transition into a period-doubled dimerized state.

  1. Modeling Strongly Correlated Fermi Systems Using Ultra-Cold Atoms

    Science.gov (United States)

    2008-06-28

    exceeds the optical scattering rate Γsc). For the lattice described above, the Lamb Dicke parameter ER/hν = 0.12 and the festina lente criterion Γsc...zero entropy ). Initialization of the quantum register for quantum computations requires a gas of neutral atoms in a near-zero- entropy state...zero- entropy state is prepared by selectively removing atoms in the second band from the lattice potential. optical lattice experiments have

  2. Combination of electrografting and atom-transfer radical polymerization for making the stainless steel surface antibacterial and protein antiadhesive.

    Science.gov (United States)

    Ignatova, Milena; Voccia, Samuel; Gilbert, Bernard; Markova, Nadya; Cossement, Damien; Gouttebaron, Rachel; Jérôme, Robert; Jérôme, Christine

    2006-01-03

    A two-step "grafting from" method has been successfully carried out, which is based on the electrografting of polyacrylate chains containing an initiator for the atom transfer radical polymerization (ATRP) of 2-(tert-butylamino)ethyl methacrylate (TBAEMA) or copolymerization of TBAEMA with either monomethyl ether of poly(ethylene oxide) methacrylate (PEOMA) or acrylic acid (AA) or styrene. The chemisorption of this type of polymer brushes onto stainless steel surfaces has potential in orthopaedic surgery. These films have been characterized by ATR-FTIR, Raman spectroscopy, atomic force microscopy (AFM), and measurement of contact angles of water. The polymer formed in solution by ATRP and that one detached on purpose from the surface have been analyzed by size exclusion chromathography (SEC) and (1)H NMR spectroscopy. The strong adherence of the films onto stainless steel has been assessed by peeling tests. AFM analysis has shown that addition of hydrophilic comonomers to the grafted chains decreases the surface roughness. According to dynamic quartz crystal microbalance experiments, proteins (e.g., fibrinogen) are more effectively repelled whenever copolymer brushes contain neutral hydrophilic (PEOMA) co-units rather than negatively charged groups (PAA salt). Moreover, a 2- to 3-fold decrease in the fibrinogen adsorption is observed when TBAEMA is copolymerized with either PEOMA or AA rather than homopolymerized or copolymerized with styrene. Compared to the bare stainless steel surface, brushes of polyTBAEMA, poly(TBAEMA-co-PEOMA) and poly(TBAEMA-co-AA) decrease the bacteria adhesion by 3 to 4 orders of magnitude as revealed by Gram-positive bacteria S. aureus adhesion tests.

  3. Hydrophilic Modification of Microporous Polysulfone Membrane via Surface-Initiated Atom Transfer Radical Polymerization and Hydrolysis of Poly(glycidylmethacrylate)%Hydrophilic Modification of Microporous Polysulfone Membrane via Surface-Initiated Atom Transfer Radical Polymerization and Hydrolysis of Poly(glycidylmethacrylate)

    Institute of Scientific and Technical Information of China (English)

    王超展; 赵飒; 卫引茂

    2012-01-01

    Poly(glycidylmethacrylate) (PGMA) brushes were grafted from chloromethylated polysulfone (CMPSF) mem- brane surface by surface-initiated atom transfer radical polymerization (S1-ATRP), and the grafting was followed by hydrolysis of epoxy groups in the grafting chains to improve the membrane's hydrophilie property. Fourier trans- form infrared spectroscopy (FT-IR) and X-ray photoelectron spectroscopy (XPS) measurements confirmed the suc- cessful grafting and hydrolysis of PGMA. The grafting degree of the monomer, measured by periodic acid titration and gravimetric analysis, increased linearly with the polymerization time, while the static water contact angle of the membrane grafted with PGMA or hydrolyzed PGMA linearly decreased. In comparison with the PGMA-grafted membranes, the hydrolyzed PGMA-grafted membranes possess stronger hydrophilicity as indicated by their contact angle and hydration capacity, and as a result they have an improved antifouling property. Therefore, the control of the hydrophilicity of PSF membrane could be realized through adjusting the polymerization time and transforming the functional groups in the grafting chain.

  4. Positron-Lithium Atom and Electron-Lithium Atom Scattering Systems at Intermediate and High Energies

    Institute of Scientific and Technical Information of China (English)

    K. Ratnavelu; S. Y. Ng

    2006-01-01

    @@ The coupled-channel optical method is used to study positron scattering by atomic lithium at energies ranging from the ionization threshold to 60 eV. The present method simultaneously treats the target channels and the positronium (Ps) channels in the coupled-channel method together with the continuum effects via an ab-initio optical potential. Ionization, elastic and inelastic cross sections in target channels, and the total cross section are also reported and compared with other theoretical and experimental data. A comparative study with the corresponding electron-lithium data is also reported.

  5. Production and transfer of energy and information in Hamiltonian systems.

    Directory of Open Access Journals (Sweden)

    Chris G Antonopoulos

    Full Text Available We present novel results that relate energy and information transfer with sensitivity to initial conditions in chaotic multi-dimensional Hamiltonian systems. We show the relation among Kolmogorov-Sinai entropy, Lyapunov exponents, and upper bounds for the Mutual Information Rate calculated in the Hamiltonian phase space and on bi-dimensional subspaces. Our main result is that the net amount of transfer from kinetic to potential energy per unit of time is a power-law of the upper bound for the Mutual Information Rate between kinetic and potential energies, and also a power-law of the Kolmogorov-Sinai entropy. Therefore, transfer of energy is related with both transfer and production of information. However, the power-law nature of this relation means that a small increment of energy transferred leads to a relatively much larger increase of the information exchanged. Then, we propose an "experimental" implementation of a 1-dimensional communication channel based on a Hamiltonian system, and calculate the actual rate with which information is exchanged between the first and last particle of the channel. Finally, a relation between our results and important quantities of thermodynamics is presented.

  6. Production and transfer of energy and information in Hamiltonian systems.

    Science.gov (United States)

    Antonopoulos, Chris G; Bianco-Martinez, Ezequiel; Baptista, Murilo S

    2014-01-01

    We present novel results that relate energy and information transfer with sensitivity to initial conditions in chaotic multi-dimensional Hamiltonian systems. We show the relation among Kolmogorov-Sinai entropy, Lyapunov exponents, and upper bounds for the Mutual Information Rate calculated in the Hamiltonian phase space and on bi-dimensional subspaces. Our main result is that the net amount of transfer from kinetic to potential energy per unit of time is a power-law of the upper bound for the Mutual Information Rate between kinetic and potential energies, and also a power-law of the Kolmogorov-Sinai entropy. Therefore, transfer of energy is related with both transfer and production of information. However, the power-law nature of this relation means that a small increment of energy transferred leads to a relatively much larger increase of the information exchanged. Then, we propose an "experimental" implementation of a 1-dimensional communication channel based on a Hamiltonian system, and calculate the actual rate with which information is exchanged between the first and last particle of the channel. Finally, a relation between our results and important quantities of thermodynamics is presented.

  7. Molecular Dynamics Studies of Energy Transfer Processes in Crystal Systems.

    Science.gov (United States)

    1984-11-30

    Computer molecular dynamics studies have been carried out on the problem of attaining a fundamental understanding of shock-induced initiation of...intramolecular energy exchange in shock-loaded systems are presented. Originator-supplied keywords include: Molecular dynamics , Energy transfer, Shock front, Shock wave, Explosives, Shock structure.

  8. Transfer effects in learning a second language grammatical gender system

    NARCIS (Netherlands)

    Sabourin, L; Stowe, LA; de Haan, GJ

    2006-01-01

    In this article second language (L2) knowledge of Dutch grammatical gender is investigated. Adult speakers of German, English and a Romance language (French, Italian or Spanish) were investigated to explore the role of transfer in learning the Dutch grammatical gender system. In the first language (

  9. Low heat-gain cryogenic-liquid transfer system

    Science.gov (United States)

    Hows, G. E.; Wright, B. J.

    1970-01-01

    Cryogenic-liquid transfer system, containing a ring structure with tensioned small diameter, high strength wires, provides adequate physical support for the piping, minimizes the conductive heat paths between the piping and jacket, and allows for thermal expansion and contraction of the piping.

  10. Dimers of Azurin as model systems for electron transfer

    NARCIS (Netherlands)

    Jongh, Thyra Estrid de

    2006-01-01

    This thesis describes the investigation of crosslinked complexes of the blue copper protein azurin by means of spectroscopic techniques such as Uv-Vis and NMR as well as by X-ray crystallography. These non-physiological dimers serve as model systems for interprotein electron transfer (ET) and allow

  11. Putting Dreyfus into Action: The European Credit Transfer System

    Science.gov (United States)

    Markowitsch, Jorg; Luomi-Messerer, Karin; Becker, Matthias; Spottl, Georg

    2008-01-01

    Purpose: The purpose of this article is to look closely at the development of a European Credit Transfer System for Vocational Education and Training (ECVET). The European Commission, together with the member States, are working on it and several pilot projects have been initiated within the Leonardo da Vinci Programme of the European Commission.…

  12. An Introduction to Register Transfer Level Simulation of Digital Systems.

    Science.gov (United States)

    Hemming, Cliff; Smith R. J., II

    Register transfer level (RTL) descriptions of digital systems have certain advantages over other descriptive techniques, especially during early phases of the design effort. There are at least three identifiable major uses for RTL-type descriptions. First, RTL can serve as documentation of digital processor behavior, recording in a concise fashion…

  13. Heat Transfer Characteristics in an Asymmetrical Solid-Liquid System by Molecular Dynamics Simulations

    Science.gov (United States)

    Feng, Yuan; Liang, Xingang

    2015-07-01

    Solid-liquid systems widely exist in micro- and nanodevices, and it is necessary to study the heat transfer mechanism through solid-liquid interfaces. An asymmetrical sandwich structure of a solid-liquid system consisting of liquid argon and artificial solid walls that have the same FCC structure with argon but a different atomic masses is composed. Heat transfer characteristics are investigated by the molecular dynamics method. The interaction strength between a liquid and solid plays an essential role in heat transport at solid-liquid interfaces, and the thermal resistance length is inversely proportional to it. The mass arrangement of artificial solid walls also has a significant effect on heat transport as well. A maximum heat flux comes up due to the mismatch in phonon spectra with the increasing atomic mass of one solid wall. The asymmetrical liquid density profiles are obtained with various mass differences between solid walls. Especially, a thermal rectification effect is observed and the magnitude is inextricably bound up with asymmetry.

  14. Heat transport through atomic contacts.

    Science.gov (United States)

    Mosso, Nico; Drechsler, Ute; Menges, Fabian; Nirmalraj, Peter; Karg, Siegfried; Riel, Heike; Gotsmann, Bernd

    2017-02-06

    Heat transport and dissipation at the nanoscale severely limit the scaling of high-performance electronic devices and circuits. Metallic atomic junctions serve as model systems to probe electrical and thermal transport down to the atomic level as well as quantum effects that occur in one-dimensional (1D) systems. Whereas charge transport in atomic junctions has been studied intensively in the past two decades, heat transport remains poorly characterized because it requires the combination of a high sensitivity to small heat fluxes and the formation of stable atomic contacts. Here we report heat-transfer measurements through atomic junctions and analyse the thermal conductance of single-atom gold contacts at room temperature. Simultaneous measurements of charge and heat transport reveal the proportionality of electrical and thermal conductance, quantized with the respective conductance quanta. This constitutes a verification of the Wiedemann-Franz law at the atomic scale.

  15. Omnidirectional wireless power transfer system supporting mobile devices

    Science.gov (United States)

    Che, Bang-Jun; Meng, Fan-Yi; Lyu, Yue-Long; Zhu, Wen-Liang; Zhang, Kuang; Yang, Guo-Hui; Fu, Jia-Hui; Zhu, Lei; Wu, Qun; Sun, Li

    2016-02-01

    An efficient method for the challenge design of an omnidirectional wireless power transfer system (OWPT) is proposed. The OWPT is realized utilizing the rotating magnetic field, which is generated by the proposed 2-D transmitter. The transmitter is composed by two mutually perpendicular loops fed by two excitation sources with the same magnitude and 90° phase difference. An OWPT system prototype is fabricated and measured. Experimental results demonstrate that the system can deliver power to receivers moving around the transmitter with a steady transfer efficiency. Furthermore, the magnitude distribution of the rotating magnetic field can be controlled by the feeding phase difference between the two loops. This capability enables the OWPT system to focus energy for device moving in a limited receiving angle range.

  16. Middle range wireless power transfer systems with multiple resonators

    Institute of Scientific and Technical Information of China (English)

    陈新; 张桂香

    2015-01-01

    The equivalent two-port network model of a middle range wireless power transfer (WPT) system was presented based on strongly coupled multiple resonators. The key parameters of the WPT system include self-inductance, resistance, parasitic capacitance, mutual inductance and S-parameters of coils & resonators were analyzed. The impedance matching method was used to optimize load power and transmission efficiency of the multi-resonator WPT system, and the impedance matching method was realized through adjusting the distances between the coils and resonators. Experiments show that the impedance matching method can effectively improve load power and transmission efficiency for middle range wireless power transfer systems with multiple resonators, at distances up to 3 times the coil radius with efficiency more than 70% and load power also close to 3.5 W.

  17. Transfer of Trust in Event-based Reputation Systems

    DEFF Research Database (Denmark)

    Nielsen, Mogens; Krukow, Karl

    2012-01-01

    choice of model from concurrency theory. In this paper, we continue this line of research, addressing the problem on how to transfer trust from one behavioural context to another. Our proposed frameworks build on morphisms between event structures, and we prove some generic results guaranteeing formal......In the Global Computing scenario, trust-based systems have been proposed and studied as an alternative to traditional security mechanisms. A promising line of research concerns the so-called reputation-based computational trust. The approach here is that trust in a computing agent is defined...... properties of transfers in the frameworks....

  18. Structure of the electron momentum density of atomic systems

    Energy Technology Data Exchange (ETDEWEB)

    Romera, E.; Dehesa, J.S. [Granada Univ. (Spain). Dept. de Fisica Moderna; Koga, T. [Department of Applied Chemistry, Muroran Institute of Technology, Muroran, Hokkaido 050 (Japan)

    1997-12-01

    The present paper addresses the controversial problem on the nonmonotonic behavior of the spherically-averaged momentum density {gamma}(p) observed previously for some ground-state atoms based on the Roothaan-Hartree-Fock (RHF) wave functions of Clementi and Roetti. Highly accurate RHF wave functions of Koga et al. are used to study the existence of extrema in the momentum density {gamma}(p) of all the neutral atoms from hydrogen to xenon. Three groups of atoms are clearly identified according to the nonmonotonicity parameter {mu}, whose value is either equal to, larger, or smaller than unity. Additionally, it is found that the function p{sup -{alpha}} {gamma}(p) is (i) monotonically decreasing from the origin for {alpha}{>=}0.75, (ii) convex for {alpha}{>=}1.35, and (iii) logarithmically convex for {alpha}{>=}3.64 for all the neutral atoms with nuclear charges Z = 1-54. Finally, these monotonicity properties are applied to derive simple yet general inequalities which involve three momentum moments left angle p{sup t} right angle. These inequalities not only generalize similar inequalities reported so far but also allow us to correlate some fundamental atomic quantities, such as the electron-electron repulsion energy and the peak height of Compton profile, in a simple manner. (orig.) 40 refs.

  19. Fine Control over Site and Substrate Selectivity in Hydrogen Atom Transfer-Based Functionalization of Aliphatic C-H Bonds.

    Science.gov (United States)

    Salamone, Michela; Carboni, Giulia; Bietti, Massimo

    2016-10-07

    The selective functionalization of unactivated aliphatic C-H bonds over intrinsically more reactive ones represents an ongoing challenge of synthetic chemistry. Here we show that in hydrogen atom transfer (HAT) from the aliphatic C-H bonds of alkane, ether, alcohol, amide, and amine substrates to the cumyloxyl radical (CumO(•)) fine control over site and substrate selectivity is achieved by means of acid-base interactions. Protonation of the amines and metal ion binding to amines and amides strongly deactivates the C-H bonds of these substrates toward HAT to CumO(•), providing a powerful method for selective functionalization of unactivated or intrinsically less reactive C-H bonds. With 5-amino-1-pentanol, site-selectivity has been drastically changed through protonation of the strongly activating NH2 group, with HAT that shifts to the C-H bonds that are adjacent to the OH group. In the intermolecular selectivity studies, trifluoroacetic acid, Mg(ClO4)2, and LiClO4 have been employed in a orthogonal fashion for selective functionalization of alkane, ether, alcohol, and amide (or amine) substrates in the presence of an amine (or amide) one. Ca(ClO4)2, that promotes deactivation of amines and amides by Ca(2+) binding, offers, moreover, the opportunity to selectively functionalize the C-H bonds of alkane, ether, and alcohol substrates in the presence of both amines and amides.

  20. Thermoresponsive Melamine Sponges with Switchable Wettability by Interface-Initiated Atom Transfer Radical Polymerization for Oil/Water Separation.

    Science.gov (United States)

    Lei, Zhiwen; Zhang, Guangzhao; Deng, Yonghong; Wang, Chaoyang

    2017-03-15

    Here we have obtained a temperature responsive melamine sponge with a controllable wettability between superhydrophilicity and superhydrophobicity by grafting the octadecyltrichlorosilane and thermoresponsive poly(N-isopropylacrylamide) (PNIPAAm) onto the surface of melamine sponge skeletons. The whole process included the silanization in which step the rough surface with low surface energy and the NH2 were provided, and the atom transfer radical polymerization which ensured the successful grafting of PNIPAAm onto the skeleton's surface. The product exhibits a good reversible switch between superhydrophilicity and superhydrophobicity by changing the temperature below or above the lower critical solution temperature (LCST, about 32 °C) of PNIPAAm, and the modified sponge still retains a good responsiveness after undergoing two temperature switches for 20 cycles. Simultaneously, the functionalized sponges could be used to absorb the oil under water at 37 °C, and they released the absorbed oil in various ways under water at 20 °C, showing wide potential applications including oil/water separation.

  1. Facile synthesis of thermally stable poly(N-vinylpyrrolidone)-modified gold surfaces by surface-initiated atom transfer radical polymerization.

    Science.gov (United States)

    Liu, Xiaoli; Sun, Kai; Wu, Zhaoqiang; Lu, Jianhong; Song, Bo; Tong, Weifang; Shi, Xiujuan; Chen, Hong

    2012-06-26

    Well-controlled polymerization of N-vinylpyrrolidone (NVP) on Au surfaces by surface-initiated atom transfer radical polymerization (SI-ATRP) was carried out at room temperature by a silanization method. Initial attempts to graft poly(N-vinylpyrrolidone) (PVP) layers from initiators attached to alkanethiol monolayers yielded PVP films with thicknesses less than 5 nm. The combined factors of the difficulty in the controllable polymerization of NVP and the instability of alkanethiol monolayers led to the difficulty in the controlled polymerization of NVP on Au surfaces. Therefore, the silanization method was employed to form an adhesion layer for initiator attachment. This method allowed well-defined ATRP polymerization to occur on Au surfaces. Water contact angle, X-ray photoelectron spectroscopy (XPS), and reflectance Fourier transform infrared (reflectance FTIR) spectroscopy were used to characterize the modified surfaces. The PVP-modified gold surface remained stable at 130 °C for 3 h, showing excellent thermal stability. Thus, postfunctionalization of polymer brushes at elevated temperatures is made possible. The silanization method was also applied to modify SPR chips and showed potential applications in biosensors and biochips.

  2. Photodissociation of pyrrole-ammonia clusters by velocity map imaging: mechanism for the H-atom transfer reaction.

    Science.gov (United States)

    Rubio-Lago, L; Amaral, G A; Oldani, A N; Rodríguez, J D; González, M G; Pino, G A; Bañares, L

    2011-01-21

    The photodissociation dynamics of pyrrole-ammonia clusters (PyH·(NH(3))(n), n = 2-6) has been studied using a combination of velocity map imaging and non-resonant detection of the NH(4)(NH(3))(n-1) products. The excited state hydrogen-atom transfer mechanism (ESHT) is evidenced through delayed ionization and presents a threshold around 236.6 nm, in agreement with previous reports. A high resolution determination of the kinetic energy distributions (KEDs) of the products reveals slow (∼0.15 eV) and structured distributions for all the ammonia cluster masses studied. The low values of the measured kinetic energy rule out the existence of a long-lived intermediate state, as it has been proposed previously. Instead, a direct N-H bond rupture, in the fashion of the photodissociation of bare pyrrole, is proposed. This assumption is supported by a careful analysis of the structure of the measured KEDs in terms of a discrete vibrational activity of the pyrrolyl co-fragment.

  3. Grafting of thermoresponsive polymer from the surface of functionalized multiwalled carbon nanotubes via atom transfer radical polymerization

    Institute of Scientific and Technical Information of China (English)

    XU GuoYong; XIA Ru; WANG Hu; MENG XiangChun; ZHU QingRen

    2008-01-01

    Multiwalled carbon nanotubes were oxidized with concentrated HNOz and H2SO4 to introduce carboxylic groups onto carbon nanotubes surfaces. The oxidized carbon nanotubes were reacted subsequently with thionyl chloride and 2-Hydroxylethyl-2'-bromoisobutyrate, producing MWNT-based macroinitiators, MWNT-Br, for the atom transfer radical polymerization of (N-isopropylacrylamide). FTIR, XPS, 1H NMR, Raman and TGA were used to characterize the resulting products and to determine the content of the water-soluble poly (N-isopropylacrylamide) chains in the product. The MWNTs grafted with PNIPAM chains have good solubility in distilled water; THF and CHCl3. TEM images of the samples provide direct evidence for the formation of a nanostructure that MWNTs coated with polymer layer. The produced MWNT-g-PNIPAM has a PNIPAM shell, which is very sensitive to the change of temperature.This method would open a door for the fabrication of novel functional carbon nanotube-based nanomaterials or nanodevices with designable structure and tailor-made properties.

  4. Lipase Immobilization onto the Surface of PGMA-b-PDMAEMA-grafted Magnetic Nanoparticles Prepared via Atom Transfer Radical Polymerization☆

    Institute of Scientific and Technical Information of China (English)

    Jingyun Wang; Fangling Ji; Jishuang Xing; Shuang Cui; Yongming Bao; Wenbo Hao

    2014-01-01

    A block copolymer of 2-dimethylaminoethyl methacrylate (DMAEMA) and glycidyl methacrylate (GMA) was grafted onto the surface of magnetic nanoparticles (Fe3O4) via atom transfer radical polymerization. The resultant PGMA-b-PDMAEMA-grafted-Fe3O4 magnetic nanoparticles with amino and epoxy groups were characterized by Fourier transform infrared spectroscopy, powder X-ray diffraction, thermo-gravimetric analysis, and scanning electron microscopy. Lipase from Burkholderia cepacia was successfully immobilized onto the magnetic nanoparticles by physical adsorption and covalent bonding. The immobilization capacity of the magnetic particles is 0.5 mg lipase per mg support, with an activity recovery of up to 43.1%under the optimum immobilization condition. Biochemical characterization shows that the immobilized lipase exhibits improved thermal stability, good tolerance to organic solvents with high lg P, and higher pH stability than the free lipase at pH 9.0. After six consecutive cycles, the residual activity of the immobilized lipase is still over 55%of its initial activity.

  5. 3D scaffolds from vertically aligned carbon nanotubes/poly(methyl methacrylate) composites via atom transfer radical polymerization

    Energy Technology Data Exchange (ETDEWEB)

    Tebikachew, Behabtu; Magina, Sandra [CICECO, Department of Chemistry, University of Aveiro (Portugal); Mata, Diogo; Oliveira, Filipe J.; Silva, Rui F. [CICECO, Department of Materials and Ceramic Engineering, University of Aveiro (Portugal); Barros-Timmons, Ana, E-mail: anabarros@ua.pt [CICECO, Department of Chemistry, University of Aveiro (Portugal)

    2015-01-15

    Vertically aligned carbon nanotubes (VACNTs) synthesized by Thermal Chemical Vapour Deposition (TCVD) were modified using an Ar:O{sub 2} (97:3) plasma to generate oxygen-containing functional groups on the surface for subsequent modification. X-ray photo-emission spectroscopy (XPS) and micro-Raman analyses confirmed the grafting of those functional groups onto the surface of the nanotubes as well as the removal of amorphous carbon produced and deposited on the VACNT forests during the CVD process. The plasma treated VACNT forests were further modified with 2-bromo-2-methylpropionyl bromide, an atom transfer radical polymerization (ATRP) initiator, to grow poly(methyl methacrylate) (PMMA) chains from the forests via ATRP. Scanning transmission electron microscopy (STEM) of the ensuing VACNT/PMMA composites confirmed the coating of the nanotube forests with the PMMA polymer. 3D scaffolds of polymeric composites with honeycomb like structure were then obtained. Compressive tests have shown that the VACNT/PMMA composite has higher compressive strength than the pristine forest. - Highlights: • Vertically aligned carbon nanotubes (VACNTs) were synthesized and plasma modified. • X-ray photo-emission and Raman spectroscopies confirmed the VACNTs modification. • Poly(methyl methacrylate) chains were grown via ATRP from the VACNTs. • STEM of the VACNT/PMMA composites confirmed that PMMA surrounds the nanotubes. • VACNT/PMMA composite has higher compressive strength compared to the pristine forest.

  6. Ph(i-PrO)SiH2: An Exceptional Reductant for Metal-Catalyzed Hydrogen Atom Transfers.

    Science.gov (United States)

    Obradors, Carla; Martinez, Ruben M; Shenvi, Ryan A

    2016-04-13

    We report the discovery of an outstanding reductant for metal-catalyzed radical hydrofunctionalization reactions. Observations of unexpected silane solvolysis distributions in the HAT-initiated hydrogenation of alkenes reveal that phenylsilane is not the kinetically preferred reductant in many of these transformations. Instead, isopropoxy(phenyl)silane forms under the reaction conditions, suggesting that alcohols function as important silane ligands to promote the formation of metal hydrides. Study of its reactivity showed that isopropoxy(phenyl)silane is an exceptionally efficient stoichiometric reductant, and it is now possible to significantly decrease catalyst loadings, lower reaction temperatures, broaden functional group tolerance, and use diverse, aprotic solvents in iron- and manganese-catalyzed hydrofunctionalizations. As representative examples, we have improved the yields and rates of alkene reduction, hydration, hydroamination, and conjugate addition. Discovery of this broadly applicable, chemoselective, and solvent-versatile reagent should allow an easier interface with existing radical reactions. Finally, isotope-labeling experiments rule out the alternative hypothesis of hydrogen atom transfer from a redox-active β-diketonate ligand in the HAT step. Instead, initial HAT from a metal hydride to directly generate a carbon-centered radical appears to be the most reasonable hypothesis.

  7. Effect of Trapping Agent and Polystyrene Chain End Functionality on Radical Trap-Assisted Atom Transfer Radical Coupling

    Directory of Open Access Journals (Sweden)

    Elizabeth M. Carnicom

    2014-10-01

    Full Text Available Coupling reactions were performed to gauge the effect of the inclusion of a radical trap on the success of coupling reactions of monohalogenated polystyrene (PSX chains in atom transfer radical coupling (ATRC type reactions. The effect of both the specific radical trap chosen and the structure of the polymer chain end were evaluated by the extent of dimerization observed in a series of analogous coupling reactions. The commonly used radical trap 2-methyl-2-nitrosopropane (MNP showed the highest amounts of dimerization for PSX (X = Br, Cl compared to coupling reactions performed in its absence or with a different radical trap. A dinitroxide coupling agent was also studied with the extent of coupling nearly matching the effectiveness of MNP in RTA (Radical trap-assisted-ATRC reactions, while N-nitroso and electron rich nitroso coupling agents were the least effective. (2,2,6,6-Tetramethyl-piperin-l-yloxyl-capped PS (PS-TEMPO, prepared by NMP, was subjected to a coupling sequence conceptually similar to RTA-ATRC, but dimerization was not observed regardless of the choice of radical trap. Kinetic experiments were performed to observe rate changes on the coupling reaction of PSBr as a result of the inclusion of MNP, with substantial rate enhancements found in the RTA-ATRC coupling sequence compared to traditional ATRC.

  8. Effect of Surface Charge on Surface-Initiated Atom Transfer Radical Polymerization from Cellulose Nanocrystals in Aqueous Media.

    Science.gov (United States)

    Zoppe, Justin O; Xu, Xingyu; Känel, Cindy; Orsolini, Paola; Siqueira, Gilberto; Tingaut, Philippe; Zimmermann, Tanja; Klok, Harm-Anton

    2016-04-11

    Cellulose nanocrystals (CNCs) with different charge densities were utilized to examine the role of electrostatic interactions on surface-initiated atom transfer radical polymerization (SI-ATRP) in aqueous media. To this end, growth of hydrophilic uncharged poly(N,N-dimethylacrylamide) (PDMAM) brushes was monitored by electrophoresis, (1)H NMR spectroscopy, and dynamic light scattering (DLS). Molecular weight and polydispersity of PDMAM brushes was determined by GPC analysis of hydrolytically cleaved polymers. Initiator and polymer brush grafting densities, and thus, initiator efficiencies were derived from elemental analysis. Higher initiator efficiency of polymer brush growth was observed for CNCs with higher anionic surface sulfate half-ester group density, but at the expense of high polydispersity caused by inefficient deactivation. PDMAM grafts with number-average molecular weights up to 530 kDa and polydispersity indices interfacial region at the onset of polymerization is proposed. The results presented here could have implications for other substrates that present surface charges and for the assumption that the kinetics of Cu-mediated SI-CRP are analogous to those conducted in solution.

  9. All optical three dimensional spatio-temporal correlator for automatic event recognition using a multiphoton atomic system

    Science.gov (United States)

    Monjur, Mehjabin S.; Fouda, Mohamed F.; Shahriar, Selim M.

    2016-12-01

    We describe an automatic event recognition (AER) system based on a three-dimensional spatio-temporal correlator (STC) that combines the techniques of holographic correlation and photon echo based temporal pattern recognition. The STC is shift invariant in space and time. It can be used to recognize rapidly an event (e.g., a short video clip) that may be present in a large video file, and determine the temporal location of the event. Using polar Mellin transform, it is possible to realize an STC that is also scale and rotation invariant spatially. Numerical simulation results of such a system are presented using quantum mechanical equations of evolution. For this simulation we have used the model of an idealized, decay-free two level system of atoms with an inhomogeneous broadening that is larger than the inverse of the temporal resolution of the data stream. We show how such a system can be realized by using a lambda-type three level system in atomic vapor, via adiabatic elimination of the intermediate state. We have also developed analytically a three dimensional transfer function of the system, and shown that it agrees closely with the results obtained via explicit simulation of the atomic response. The analytical transfer function can be used to determine the response of an STC very rapidly. In addition to the correlation signal, other nonlinear terms appear in the explicit numerical model. These terms are also verified by the analytical model. We describe how the AER can be operated in a manner such that the correlation signal remains unaffected by the additional nonlinear terms. We also show how such a practical STC can be realized using a combination of a porous-glass based Rb vapor cell, a holographic video disc, and a lithium niobate crystal.

  10. Insight into the phosphoryl transfer of the Escherichia coli glucose phosphotransferase system from QM/MM simulations.

    Science.gov (United States)

    Jardin, Christophe; Horn, Anselm H C; Schürer, Gudrun; Sticht, Heinrich

    2008-10-23

    Phosphoryl transfer is a key reaction in many aspects of metabolism, gene regulation, and signal transduction. One prominent example is the phosphoenolpyruvate:sugar phosphotransferase system (PTS), which represents an integral part of the bacterial sugar metabolism. The transfer between the enzymes IIA (Glc) and IIB (Glc) in the glucose-specific branch of the PTS is of particular interest due to the unusual combination of donor and acceptor residues involved in phosphoryl transfer: The phosphoryl group is initially attached to the Nepsilon2 atom of His 90 in IIA (Glc) and then transferred to the S gamma atom of Cys 35 in IIB (Glc). To gain insight into the details of the transfer mechanism, we have performed a QM/MM simulation which treats the entire active site quantum-mechanically. The transfer has a high dissociative character, and the Nepsilon2-P bond gets immediately destabilized after complex formation by numerous interactions formed between residues of IIB (Glc) and the phosphoryl group. The final formation of a tight S gamma-P bond is accompanied by a reorientation of the side chain of the phosphoryl donor. This reorientation results in the loss of interaction between the imidazole ring and the phosphate group thus hindering the reverse transfer. A comparison to the transfer in protein tyrosine phosphatases, which also use a cysteine as acceptor of the phosphoryl group, reveals significant similarities in the conformation of the active site, the energy profile of the reaction, and in the pattern of interactions that stabilize the phosphoryl group during the transfer.

  11. Interpretation of Hund's multiplicity rule for the atomic systems

    Science.gov (United States)

    Hongo, Kenta; Maezono, Ryo; Kawazoe, Yoshiyuki; Towler, M. D.

    2005-03-01

    We have studied Hund's multiplicity rule for the carbon atom using quantum Monte Carlo methods[1]. Our calculations give a high-level description of electron correlation and satisfy the virial theorem to high accuracy. This allows us to obtain accurate and reliable values for each of the energy terms and therefore to give a convincing explanation of the mechanism by which Hund's rule operates in carbon. We obtain the following results: (1) the energy gain in the triplet with respect to the singlet state is due to the greater electron-nucleus attraction in the higher spin state, and (2) the electron-electron repulsion in the triplet is greater than that in the singlet, in accordance with Hartree-Fock results and studies including correlation. Although our main topic is the carbon atom, we would also like to show our current results of the nitrogen atom.[1]K. Hongo, et al., J. Chem. Phys. 121, 7144 (2004).

  12. Nitroxide mediated and atom transfer radical graft polymerization of atactic polymers onto syndiotactic polystyrene

    Directory of Open Access Journals (Sweden)

    M. Abbasian

    2012-06-01

    Full Text Available 'Living' radical graft polymerization was employed to prepare graft copolymers with nitroxide-mediated arylated syndiotactic polystyrene as the backbone and polystyrene (PS, poly(p-methylstyrene (PMS and poly(methylmethacrylate (PMMA as branches. A two-stage process has been developed to synthesize the macroinitiator. First, syndiotactic polystyrene (sPS was modified by the Friedel-Crafts reaction to introduce chlorine; second, the chlorine groups were converted to nitroxide mediated groups by coupling with 1-hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPO-OH. The resulting macroinitiator (sPS-TEMPO for 'living' free radical polymerization was then heated in the presence of styrene and p-methylstyrene to form graft and block copolymers. We used the obtained copolymer and N-bromosuccinimide as brominating agent to achieve polymers with bromine groups. This brominated copolymer was used as a macroinitiator for polymerizing methyl methacrylate in the presence of the CuBr/bpy catalyst system. The formation of the graft and block copolymers was confirmed by DSC, ¹H NMR and FTIR spectroscopy. This approach using macroinitiators is an effective method for the preparation of new materials.

  13. Nitroxide mediated and atom transfer radical graft polymerization of atactic polymers onto syndiotactic polystyrene

    Energy Technology Data Exchange (ETDEWEB)

    Abbasian, M. [Department of Basic Science, Payame Noor University, Tehran (Iran, Islamic Republic of); Shoja, S. Esmaeily [Lab. of Materials, Faculty of Engineering, Islamic Azad University, Bonab (Iran, Islamic Republic of)

    2012-04-15

    'Living' radical graft polymerization was employed to prepare graft copolymers with nitroxide mediated arylated syndiotactic polystyrene as the backbone and polystyrene (PS), poly(p-methylstyrene) (PMS) and poly(methylmethacrylate) (PMMA) as branches. A two-stage process has been developed to synthesize the macroinitiator. First, syndiotactic polystyrene (sPS) was modified by the Friedel-Crafts reaction to introduce chlorine; second, the chlorine groups were converted to nitroxide mediated groups by coupling with 1-hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPO-OH). The resulting macroinitiator (sPSTEMPO) for 'living' free radical polymerization was then heated in the presence of styrene and pmethylstyrene to form graft and block copolymers. We used the obtained copolymer and N-bromosuccinimide as brominating agent to achieve polymers with bromine groups. This brominated copolymer was used as a macroinitiator for polymerizing methyl methacrylate in the presence of the CuBr/bpy catalyst system. The formation of the graft and block copolymers was confirmed by DSC, {sup 1}H NMR and FTIR spectroscopy. This approach using macroinitiators is an effective method for the preparation of new materials. (author)

  14. Rapid Hydrogen and Oxygen Atom Transfer by a High-Valent Nickel-Oxygen Species.

    Science.gov (United States)

    Corona, Teresa; Draksharapu, Apparao; Padamati, Sandeep K; Gamba, Ilaria; Martin-Diaconescu, Vlad; Acuña-Parés, Ferran; Browne, Wesley R; Company, Anna

    2016-10-05

    Terminal high-valent metal-oxygen species are key reaction intermediates in the catalytic cycle of both enzymes (e.g., oxygenases) and synthetic oxidation catalysts. While tremendous efforts have been directed toward the characterization of the biologically relevant terminal manganese-oxygen and iron-oxygen species, the corresponding analogues based on late-transition metals such as cobalt, nickel or copper are relatively scarce. This scarcity is in part related to the "Oxo Wall" concept, which predicts that late transition metals cannot support a terminal oxido ligand in a tetragonal environment. Here, the nickel(II) complex (1) of the tetradentate macrocyclic ligand bearing a 2,6-pyridinedicarboxamidate unit is shown to be an effective catalyst in the chlorination and oxidation of C-H bonds with sodium hypochlorite as terminal oxidant in the presence of acetic acid (AcOH). Insight into the active species responsible for the observed reactivity was gained through the study of the reaction of 1 with ClO(-) at low temperature by UV-vis absorption, resonance Raman, EPR, ESI-MS, and XAS analyses. DFT calculations aided the assignment of the trapped chromophoric species (3) as a nickel-hypochlorite species. Despite the fact that the formal oxidation state of the nickel in 3 is +4, experimental and computational analysis indicate that 3 is best formulated as a Ni(III) complex with one unpaired electron delocalized in the ligands surrounding the metal center. Most remarkably, 3 reacts rapidly with a range of substrates including those with strong aliphatic C-H bonds, indicating the direct involvement of 3 in the oxidation/chlorination reactions observed in the 1/ClO(-)/AcOH catalytic system.

  15. Quantum dot-dye hybrid systems for energy transfer applications

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Ting

    2010-07-01

    In this thesis, we focus on the preparation of energy transfer-based quantum dot (QD)-dye hybrid systems. Two kinds of QD-dye hybrid systems have been successfully synthesized: QD-silica-dye and QD-dye hybrid systems. In the QD-silica-dye hybrid system, multishell CdSe/CdS/ZnS QDs were adsorbed onto monodisperse Stoeber silica particles with an outer silica shell of thickness 2-24 nm containing organic dye molecules (Texas Red). The thickness of this dye layer has a strong effect on the total sensitized acceptor emission, which is explained by the increase in the number of dye molecules homogeneously distributed within the silica shell, in combination with an enhanced surface adsorption of QDs with increasing dye amount. Our conclusions were underlined by comparison of the experimental results with Monte-Carlo simulations, and by control experiments confirming attractive interactions between QDs and Texas Red freely dissolved in solution. New QD-dye hybrid system consisting of multishell QDs and organic perylene dyes have been synthesized. We developed a versatile approach to assemble extraordinarily stable QD-dye hybrids, which uses dicarboxylate anchors to bind rylene dyes to QD. This system yields a good basis to study the energy transfer between QD and dye because of its simple and compact design: there is no third kind of molecule linking QD and dye; no spacer; and the affinity of the functional group to the QD surface is strong. The FRET signal was measured for these complexes as a function of both dye to QD ratio and center-to-center distance between QD and dye by controlling number of covered ZnS layers. Data showed that fluorescence resonance energy transfer (FRET) was the dominant mechanism of the energy transfer in our QD-dye hybrid system. FRET efficiency can be controlled by not only adjusting the number of dyes on the QD surface or the QD to dye distance, but also properly choosing different dye and QD components. Due to the strong stability, our QD

  16. Conduction mechanism studies on electron transfer of disordered system

    Institute of Scientific and Technical Information of China (English)

    徐慧; 宋祎璞; 李新梅

    2002-01-01

    Using the negative eigenvalue theory and the infinite order perturbation theory, a new method was developed to solve the eigenvectors of disordered systems. The result shows that eigenvectors change from the extended state to the localized state with the increase of the site points and the disordered degree of the system. When electric field is exerted, the electrons transfer from one localized state to another one. The conductivity is induced by the electron transfer. The authors derive the formula of electron conductivity and find the electron hops between localized states whose energies are close to each other, whereas localized positions differ from each other greatly. At low temperature the disordered system has the character of the negative differential dependence of resistivity and temperature.

  17. A new type of excited-state intramolecular proton transfer: proton transfer from phenol OH to a carbon atom of an aromatic ring observed for 2-phenylphenol.

    Science.gov (United States)

    Lukeman, Matthew; Wan, Peter

    2002-08-14

    The photochemical deuterium incorporation at the 2'- and 4'-positions of 2-phenylphenol (4) and equivalent positions of related compounds has been studied in D(2)O (CH(3)OD)-CH(3)CN solutions with varying D(2)O (CH(3)OD) content. Predominant exchange was observed at the 2'-position with an efficiency that is independent of D(2)O (MeOD) content. Exchange at the 2'-position (but not at the 4'-position) was also observed when crystalline samples of 4-OD were irradiated. Data are presented consistent with a mechanism of exchange that involves excited-state intramolecular proton transfer (ESIPT) from the phenol to the 2'-carbon position of the benzene ring not containing the phenol, to generate the corresponding keto tautomer (an o-quinone methide). This is the first explicit example of a new class of ESIPT in which an acidic phenolic proton is transferred to an sp(2)-hybridized carbon of an aromatic ring. The complete lack of exchange observed for related substrates 6-9 and for planar 4-hydroxyfluorene (10) is consistent with a mechanism of ESIPT that requires an initial hydrogen bonding interaction between the phenol proton and the benzene pi-system. Similar exchange was observed for 2,2'-biphenol (5), suggesting that this new type of ESIPT is a general reaction for unconstrained 2'-aryl-substituted phenols and other related hydroxyarenes.

  18. Saponification reaction system: a detailed mass transfer coefficient determination.

    Science.gov (United States)

    Pečar, Darja; Goršek, Andreja

    2015-01-01

    The saponification of an aromatic ester with an aqueous sodium hydroxide was studied within a heterogeneous reaction medium in order to determine the overall kinetics of the selected system. The extended thermo-kinetic model was developed compared to the previously used simple one. The reaction rate within a heterogeneous liquid-liquid system incorporates a chemical kinetics term as well as mass transfer between both phases. Chemical rate constant was obtained from experiments within a homogeneous medium, whilst the mass-transfer coefficient was determined separately. The measured thermal profiles were then the bases for determining the overall reaction-rate. This study presents the development of an extended kinetic model for considering mass transfer regarding the saponification of ethyl benzoate with sodium hydroxide within a heterogeneous reaction medium. The time-dependences are presented for the mass transfer coefficient and the interfacial areas at different heterogeneous stages and temperatures. The results indicated an important role of reliable kinetic model, as significant difference in k(L)a product was obtained with extended and simple approach.

  19. Hindi to English Transfer Based Machine Translation System

    Directory of Open Access Journals (Sweden)

    Shashi Pal Singh

    2015-06-01

    Full Text Available In large societies like India there is a huge demand to convert one human language into another. Lots of work has been done in this area. Many transfer based MTS have developed for English to other languages, as MANTRA CDAC Pune, MATRA CDAC Pune, SHAKTI IISc Bangalore and IIIT Hyderabad. Still there is a little work done for Hindi to other languages. Currently we are working on it. In this paper we focus on designing a system, that translate the document from Hindi to English by using transfer based approach. This system takes an input text check its structure through parsing. Reordering rules are used to generate the text in target language. It is better than Corpus Based MTS because Corpus Based MTS require large amount of word aligned data for translation that is not available for many languages while Transfer Based MTS requires only knowledge of both the languages (source language and target language to make transfer rules. We get correct translation for simple assertive sentences and almost correct for complex and compound sentences.

  20. Analysis of the Coupling Coefficient in Inductive Energy Transfer Systems

    Directory of Open Access Journals (Sweden)

    Rafael Mendes Duarte

    2014-01-01

    Full Text Available In wireless energy transfer systems, the energy is transferred from a power source to an electrical load without the need of physical connections. In this scope, inductive links have been widely studied as a way of implementing these systems. Although high efficiency can be achieved when the system is operating in a static state, it can drastically decrease if changes in the relative position and in the coupling coefficient between the coils occur. In this paper, we analyze the coupling coefficient as a function of the distance between two planar and coaxial coils in wireless energy transfer systems. A simple equation is derived from Neumann’s equation for mutual inductance, which is then used to calculate the coupling coefficient. The coupling coefficient is computed using CST Microwave Studio and compared to calculation and experimental results for two coils with an excitation signal of up to 10 MHz. The results showed that the equation presents good accuracy for geometric parameters that do not lead the solution of the elliptic integral of the first kind to infinity.

  1. Umbrella sampling of proton transfer in a creatine-water system

    Science.gov (United States)

    Ivchenko, Olga; Bachert, Peter; Imhof, Petra

    2014-04-01

    Proton transfer reactions are among the most common processes in chemistry and biology. Proton transfer between creatine and surrounding solvent water is underlying the chemical exchange saturation transfer used as a contrast in magnetic resonance imaging. The free energy barrier, determined by first-principles umbrella sampling simulations (EaDFT 3 kcal/mol) is in the same order of magnitude as the experimentally obtained activation energy. The underlying mechanism is a first proton transfer from the guanidinium group to the water pool, followed by a second transition where a proton is "transferred back" from the nearest water molecule to the deprotonated nitrogen atom of creatine.

  2. Manipulating ultracold atoms with a reconfigurable nanomagnetic system of domain walls

    CERN Document Server

    West, Adam D; Hayward, Thomas J; Fry, Paul W; Schrefl, Thomas; Gibbs, Mike R J; Adams, Charles S; Allwood, Dan A; Hughes, Ifan G

    2011-01-01

    The divide between the realms of atomic-scale quantum particles and lithographically-defined nanostructures is rapidly being bridged. Hybrid quantum systems comprising ultracold gas-phase atoms and substrate-bound devices already offer exciting prospects for quantum sensors, quantum information and quantum control. Ideally, such devices should be scalable, versatile and support quantum interactions with long coherence times. Fulfilling these criteria is extremely challenging as it demands a stable and tractable interface between two disparate regimes. Here we demonstrate an architecture for atomic control based on domain walls (DWs) in planar magnetic nanowires that provides a tunable atomic interaction, manifested experimentally as the reflection of ultracold atoms from a nanowire array. We exploit the magnetic reconfigurability of the nanowires to quickly and remotely tune the interaction with high reliability. This proof-of-principle study shows the practicability of more elaborate atom chips based on magn...

  3. Heat transfer and fluid flow in nuclear systems

    CERN Document Server

    Fenech, Henri

    1982-01-01

    Heat Transfer and Fluid in Flow Nuclear Systems discusses topics that bridge the gap between the fundamental principles and the designed practices. The book is comprised of six chapters that cover analysis of the predicting thermal-hydraulics performance of large nuclear reactors and associated heat-exchangers or steam generators of various nuclear systems. Chapter 1 tackles the general considerations on thermal design and performance requirements of nuclear reactor cores. The second chapter deals with pressurized subcooled light water systems, and the third chapter covers boiling water reacto

  4. Fidelity of quantum state for interacting system of light field and atomic Bose-Einstein condensate

    Institute of Scientific and Technical Information of China (English)

    Chunjia Huang; Ming Zhou; Fanzhi Kong; Jiayuan Fang; Kewei Mo

    2005-01-01

    @@ The evolution characteristics of quantum state fidelity in an interacting system of single-mode light field and atomic Bose-Einstein condensate have been studied and the influence of the initial light field intensity and the interaction among atoms of Bose-Einstein condensate on the quantum state fidelity respectively have been discussed.

  5. Development of the prototype pneumatic transfer system for ITER neutron activation system.

    Science.gov (United States)

    Cheon, M S; Seon, C R; Pak, S; Lee, H G; Bertalot, L

    2012-10-01

    The neutron activation system (NAS) measures neutron fluence at the first wall and the total neutron flux from the ITER plasma, providing evaluation of the fusion power for all operational phases. The pneumatic transfer system (PTS) is one of the key components of the NAS for the proper operation of the system, playing a role of transferring encapsulated samples between the capsule loading machine, irradiation stations, counting stations, and disposal bin. For the validation and the optimization of the design, a prototype of the PTS was developed and capsule transfer tests were performed with the developed system.

  6. Direct detection by atomic force microscopy of single bond forces associated with the rupture of discrete charge-transfer complexes.

    Science.gov (United States)

    Skulason, Hjalti; Frisbie, C Daniel

    2002-12-18

    Atomic force microscopy (AFM) was used to measure the chemical binding force of discrete electron donor-acceptor complexes formed at the interface between proximal self-assembled monolayers (SAMs). Derivatives of the well-known electron donor N,N,N',N'-tetramethylphenylenediamine (TMPD) and the electron acceptor 7,7,8,8-tetracyanoquinodimethane (TCNQ) were immobilized on Au-coated AFM tips and substrates by formation of SAMs of N,N,N'-trimethyl-N'-(10-thiodecyl)-1,4-phenylenediamine (I) and bis(10-(2-((2,5-cyclohexadiene-1,4-diylidene)dimalonitrile))decyl) disulfide (II), respectively. Pull-off forces between modified tips and substrates were measured under CHCl(3) solvent. The mean pull-off forces associated with TMPD/TCNQ microcontacts were more than an order of magnitude larger than the pull-off forces for TMPD/TMPD and TCNQ/TCNQ microcontacts, consistent with the presence of specific charge-transfer interactions between proximal TMPD donors and TCNQ acceptors. Furthermore, histograms of pull-off forces for TMPD/TCNQ contacts displayed 70 +/- 15 pN periodicity, assigned to the rupture of individual TMPD-TCNQ donor-acceptor (charge-transfer) complexes. Both the mean pull-off force and the 70 pN force quantum compare favorably with a contact mechanics model that incorporates the effects of discrete chemical bonds, solvent surface tensions, and random contact area variations in consecutive pull-offs. From the 70 pN force quantum, we estimate the single bond energy to be approximately 4-5 kJ/mol, in reasonable agreement with thermodynamic data. These experiments establish that binding forces due to discrete chemical bonds can be detected directly in AFM pull-off measurements employing SAM modified probes and substrates. Because SAMs can be prepared with a wide range of exposed functional groups, pull-off measurements between SAM-coated tips and substrates may provide a general strategy for directly measuring binding forces associated with a variety of simple

  7. Electromagnetically induced transparency and controllable group velocity in a five-level atomic system

    Institute of Scientific and Technical Information of China (English)

    Lihui Jin; Shangqing Gong; Yueping Niu; Shiqi Jin

    2006-01-01

    @@ The optical properties of a five-level atomic system composed of a A-type four-level atomic and a tripod four-level atomic systems are investigated. It is found that the behaviors of electromagnetically induced transparency (EIT) and group velocity can be controlled by choosing appropriate parameters with the interacting dark resonances. In particular, when all the fields are on resonance, the slow light at the symmetric transparency windows with a much broader EIT width is obtained by tuning the intensity of the coupling field in comparison with its sub-system, which provides potential applications in quantum storage and retrieval of light.

  8. Phase behaviour of transfer functions in vibrating systems

    DEFF Research Database (Denmark)

    Zhu, Jianyuan; Ohlrich, Mogens

    1998-01-01

    This paper investigates the applicabilities of pole-zero models and wave propagation theory in estimating the phase characteristics of vibrating systems. The measured phase spectra are compared with the estimated reverberant phase limit and wave propagation phase. The relations between transfer...... on frequency in this band, but from the transition frequency and onwards the phase increases only with the square root of frequency. This behaviour is characteristic for free propagating waves....

  9. A pyrometric feedback system covering the entire temperature program for electrothermal atomization-atomic absorption spectrometry

    Science.gov (United States)

    Herber, R. F. M.; Pieters, H. J.; Roelofsen, A. M.; Van Deijck, W.

    A new pyrometric temperature feedback control system for ETA-AAS is introduced which controls the entire temperature range needed for analysis. The system consists of a single infrared sensitive detector and independent feedback control circuitry for the three separate heating stages of a Varian CRA 63 or CRA 90 power supply to which it was added. The temperature region covered by the system encompassed from 300 to 3300 K. The precision of the temperature control amounts to ±20 K at 330 K., ±5 K at 700 K and ±2 K at 2300 K. In order to test the performance of the system, lead in blood and cadmium in urine were determined. Substantial improvements as compared to the conventional system were obtained with respect to optimization of the temperature program, precision and sensitivity. Patent pending.

  10. Atomic scattering in the diffraction limit: electron transfer in keV Li+-Na(3s, 3p) collisions

    DEFF Research Database (Denmark)

    Poel, Mike van der; Nielsen, C.V.; Rybaltover, M.;

    2002-01-01

    . This setup yields a momentum resolution of 0.12 an, an order of magnitude better angular resolution than previous measurements on this system. This enables us to clearly resolve Fraunhofer-type diffraction patterns in the angle DCS. In particular, the angular width of the ring structure is given by the ratio...... of the de Broglie wavelength lambda(dB) = 150 fm at a velocity v = 0.20 au and the effective atomic diameter for electron capture 2R = 20 au. Parallel AO and MO semiclassical coupled-channel calculations of the Na(3s, 3p) --> Li(2s, 2p) state-to-state collision amplitudes have been performed, and quantum...

  11. A DYNAMICAL SYSTEM APPROACH IN MODELING TECHNOLOGY TRANSFER

    Directory of Open Access Journals (Sweden)

    Hennie Husniah

    2016-05-01

    Full Text Available In this paper we discuss a mathematical model of two parties technology transfer from a leader to a follower. The model is reconstructed via dynamical system approach from a known standard Raz and Assa model and we found some important conclusion which have not been discussed in the original model. The model assumes that in the absence of technology transfer from a leader to a follower, both the leader and the follower have a capability to grow independently with a known upper limit of the development. We obtain a rich mathematical structure of the steady state solution of the model. We discuss a special situation in which the upper limit of the technological development of the follower is higher than that of the leader, but the leader has started earlier than the follower in implementing the technology. In this case we show a paradox stating that the follower is unable to reach its original upper limit of the technological development could appear whenever the transfer rate is sufficiently high.  We propose a new model to increase realism so that any technological transfer rate could only has a positive effect in accelerating the rate of growth of the follower in reaching its original upper limit of the development.

  12. New magnet transport system for the LHC beam transfer lines

    CERN Multimedia

    Patrice Loïez

    2003-01-01

    The first of 700 magnets has been installed in one of the two transfer tunnels built to transfer the SPS beam into the LHC. The start of this first installation phase of the LHC transfer lines provides the opportunity to launch a new and highly original modular system for transporting and installing all kinds of magnets in very narrow tunnels. The system (pictured here in one of the tunnels) is based on very compact bogies, up to four of which can be coupled together to form a convoy. The wheels are fitted with individual motors enabling them to swivel through an angle of 90° and the convoy to move laterally. The lead vehicle is powered by an electric rail set into the roof of the tunnel. The system is backed up by electrical batteries that enable it to operate in the absence of an outside power source or in the event of power failure. Last but not least, for the long-distance transport of magnets, it can be optically guided by a line traced on the tunnel floor. The convoy moves through the particularly narr...

  13. Quantum field entropy of the system with interaction between moving Bell-state atoms and coherent light field

    Institute of Scientific and Technical Information of China (English)

    ZHANG Cai-hua; Sachuerfu; Gerile

    2011-01-01

    The field entropy of the system with two moving atoms interacting with the coherent state is investigated by means of the full quantum theory.Under the different initial states with two atoms,the influences of the light field intensity and the atomic motion on the field entropy are discussed.The results indicate that the motion of the atoms leads to strict periodicity in the field entropy evolution.When the two atoms are in the Bell state initially,the system is in a completely disentangled state.For the atoms initially at other Bell states,the field periodically entangles with the atoms.

  14. Redox-inactive metal ions promoted the catalytic reactivity of non-heme manganese complexes towards oxygen atom transfer.

    Science.gov (United States)

    Choe, Cholho; Yang, Ling; Lv, Zhanao; Mo, Wanling; Chen, Zhuqi; Li, Guangxin; Yin, Guochuan

    2015-05-21

    Redox-inactive metal ions can modulate the reactivity of redox-active metal ions in a variety of biological and chemical oxidations. Many synthetic models have been developed to help address the elusive roles of these redox-inactive metal ions. Using a non-heme manganese(II) complex as the model, the influence of redox-inactive metal ions as a Lewis acid on its catalytic efficiency in oxygen atom transfer was investigated. In the absence of redox-inactive metal ions, the manganese(II) catalyst is very sluggish, for example, in cyclooctene epoxidation, providing only 9.9% conversion with 4.1% yield of epoxide. However, addition of 2 equiv. of Al(3+) to the manganese(II) catalyst sharply improves the epoxidation, providing up to 97.8% conversion with 91.4% yield of epoxide. EPR studies of the manganese(II) catalyst in the presence of an oxidant reveal a 16-line hyperfine structure centered at g = 2.0, clearly indicating the formation of a mixed valent di-μ-oxo-bridged diamond core, Mn(III)-(μ-O)2-Mn(IV). The presence of a Lewis acid like Al(3+) causes the dissociation of this diamond Mn(III)-(μ-O)2-Mn(IV) core to form monomeric manganese(iv) species which is responsible for improved epoxidation efficiency. This promotional effect has also been observed in other manganese complexes bearing various non-heme ligands. The findings presented here have provided a promising strategy to explore the catalytic reactivity of some di-μ-oxo-bridged complexes by adding non-redox metal ions to in situ dissociate those dimeric cores and may also provide clues to understand the mechanism of methane monooxygenase which has a similar diiron diamond core as the intermediate.

  15. Measurement of atomic electric fields and charge densities from average momentum transfers using scanning transmission electron microscopy.

    Science.gov (United States)

    Müller-Caspary, Knut; Krause, Florian F; Grieb, Tim; Löffler, Stefan; Schowalter, Marco; Béché, Armand; Galioit, Vincent; Marquardt, Dennis; Zweck, Josef; Schattschneider, Peter; Verbeeck, Johan; Rosenauer, Andreas

    2016-05-12

    This study sheds light on the prerequisites, possibilities, limitations and interpretation of high-resolution differential phase contrast (DPC) imaging in scanning transmission electron microscopy (STEM). We draw particular attention to the well-established DPC technique based on segmented annular detectors and its relation to recent developments based on pixelated detectors. These employ the expectation value of the momentum transfer as a reliable measure of the angular deflection of the STEM beam induced by an electric field in the specimen. The influence of scattering and propagation of electrons within the specimen is initially discussed separately and then treated in terms of a two-state channeling theory. A detailed simulation study of GaN is presented as a function of specimen thickness and bonding. It is found that bonding effects are rather detectable implicitly, e.g., by characteristics of the momentum flux in areas between the atoms than by directly mapping electric fields and charge densities. For strontium titanate, experimental charge densities are compared with simulations and discussed with respect to experimental artifacts such as scan noise. Finally, we consider practical issues such as figures of merit for spatial and momentum resolution, minimum electron dose, and the mapping of larger-scale, built-in electric fields by virtue of data averaged over a crystal unit cell. We find that the latter is possible for crystals with an inversion center. Concerning the optimal detector design, this study indicates that a sampling of 5mrad per pixel is sufficient in typical applications, corresponding to approximately 10×10 available pixels.

  16. New method for calculating the Berry connection in atom-molecule systems

    Institute of Scientific and Technical Information of China (English)

    Cui Fu-Cheng; Wu Bao-Jun

    2012-01-01

    In the mean-field theory of atom molecule systems,where the bosonic atoms combine to form molecules,there is no usual U(1) symmetry,which presents an apparent hurdle for calculating the Berry connection in these systems.We develop a perturbation expansion method of Hannay's angle suitable for calculating the Berry curvature in the atom molecule systems.With this Berry curvature,the Berry connection can be computed naturally.We use a three-level atom-molecule system to illustrate our results.In particular,with this method,we compute the curvature for Hannay's angle analytically,and compare it to the Berry curvature obtained with the second-quantized model of the same system.An excellent agreement is found,indicating the validity of our method.

  17. Transferred multipolar atom model for 10β,17β-dihydroxy-17α-methylestr-4-en-3-one dihydrate obtained from the biotransformation of methyloestrenolone.

    Science.gov (United States)

    Faroque, Muhammad Umer; Yousuf, Sammer; Zafar, Salman; Choudhary, M Iqbal; Ahmed, Maqsood

    2016-05-01

    Biotransformation is the structural modification of compounds using enzymes as the catalysts and it plays a key role in the synthesis of pharmaceutically important compounds. 10β,17β-Dihydroxy-17α-methylestr-4-en-3-one dihydrate, C19H28O3·2H2O, was obtained from the fungal biotransformation of methyloestrenolone. The structure was refined using the classical independent atom model (IAM) and a transferred multipolar atom model using the ELMAM2 database. The results from the two refinements have been compared. The ELMAM2 refinement has been found to be superior in terms of the refinement statistics. It has been shown that certain electron-density-derived properties can be calculated on the basis of the transferred parameters for crystals which diffract to ordinary resolution.

  18. Linear Atom Guides: Guiding Rydberg Atoms and Progress Toward an Atom Laser

    Science.gov (United States)

    Traxler, Mallory A.

    In this thesis, I explore a variety of experiments within linear, two-wire, magnetic atom guides. Experiments include guiding of Rydberg atoms; transferring between states while keeping the atoms contained within the guide; and designing, constructing, and testing a new experimental apparatus. The ultimate goal of the atom guiding experiments is to develop a continuous atom laser. The guiding of 87Rb 59D5/2 Rydberg atoms is demonstrated. The evolution of the atoms is driven by the combined effects of dipole forces acting on the center-of-mass degree of freedom as well as internal-state transitions. Time delayed microwave and state-selective field ionization, along with ion detection, are used to investigate the evolution of the internal-state distribution as well as the Rydberg atom motion while traversing the guide. The observed decay time of the guided-atom signal is about five times that of the initial state. A population transfer between Rydberg states contributes to this lengthened lifetime, and also broadens the observed field ionization spectrum. The population transfer is attributed to thermal transitions and, to a lesser extent, initial state-mixing due to Rydberg-Rydberg collisions. Characteristic signatures in ion time-of-flight signals and spatially resolved images of ion distributions, which result from the coupled internal-state and center-of-mass dynamics, are discussed. Some groups have used a scheme to make BECs where atoms are optically pumped from one reservoir trap to a final state trap, irreversibly transferring those atoms from one trap to the other. In this context, transfer from one guided ground state to another is studied. In our setup, before the atoms enter the guide, they are pumped into the | F = 1, mF = --1> state. Using two repumpers, one tuned to the F = 1 → F' = 0 transition (R10) and the other tuned to the F = 1 → F' = 2 transition (R12), the atoms are pumped between these guided states. Magnetic reflections within the guide

  19. Three-body entanglement induced by spontaneous emission in a three two-level atoms system

    Institute of Scientific and Technical Information of China (English)

    Liao Xiang-Ping; Fang Mao-Fa; Zheng Xiao-Juan; Cai Jian-Wu

    2006-01-01

    We study three-body entanglement induced by spontaneous emission in a three two-level atoms system by using the entanglement tensor approach. The results show that the amount of entanglement is strongly dependent on the initial state of the system and the species of atoms. The three-body entanglement is the result of the coherent superposition of the two-body entanglements. The larger the two-body entanglement is, the stronger the three-body entanglement is. On the other hand, if there exists a great difference in three two-body entanglement measures, the three-body entanglement is very weak. We also find that the maximum of the two-body entanglement obtained with nonidentical atoms is greater than that obtained with identical atoms via adjusting the difference in atomic frequency.

  20. I.I. Rabi Prize in Atomic, Molecular and Optical Physics Talk: Novel Quantum Physics in Few- and Many-body Atomic Systems

    Science.gov (United States)

    Chin, Cheng

    2011-05-01

    Recent cold atom researches are reaching out far beyond the realm that was conventionally viewed as atomic physics. Many long standing issues in other physics disciplines or in Gedanken-experiments are nowadays common targets of cold atom physicists. Two prominent examples will be discussed in this talk: BEC-BCS crossover and Efimov physics. Here, cold atoms are employed to emulate electrons in superconductors, and nucleons in nuclear reactions, respectively. The ability to emulate exotic or thought systems using cold atoms stems from the precisely determined, simple, and tunable interaction properties of cold atoms. New experimental tools have also been devised toward an ultimate goal: a complete control and a complete characterization of a few- or many-body quantum system. We are tantalizingly close to this major milestone, and will soon open new venues to explore new quantum phenomena that may (or may not!) exist in scientists' dreams.

  1. E-Beam—a new transfer system for isolator technology

    Science.gov (United States)

    Sadat, Theo; Huber, Thomas

    2002-03-01

    In every aseptic filling application, the sterile transfer of goods into the aseptic area is a challenge, and there are many different ways to do it. With isolator technology a higher sterility assurance level (SAL) is achieved. This SAL is only as good as the weakest segment in the chain of manufacturing. The transfer of goods into and out of the isolator is one of these critical segments. Today different techniques, some already well established, others still very new, are available on the market like: dry heat tunnel, autoclave, pulsed light, rapid transfer systems (RTP), H 2O 2 tunnel, UV light, etc. all these systems are either not applicable for continuous transfer, only good for heat-compatible materials like glass, or do not guarantee a 6 log spore reduction. E-Beam opens new perspectives in this field. With E-beam technology it is possible to transfer heat-sensitive (plastic), pre-sterilised materials at high speed, continuously into an aseptic area. E-Beam unifies three different technologies, that result in a very efficient and high-speed decontamination machine designed for the pharmaceutical industry. First, there is the electron beam that decontaminates the goods and an accurate shielding that protects the surrounding from this beam. Second, there is the conveyor system that guarantees the output and the correct exposure time underneath the beam. And third, there is the isolator interface to provide correct differential pressure and clean air inside the tunnel as well as the decontamination of the tunnel with H 2O 2 prior to production. The E-beam is a low-energy electron beam, capable of decontaminating any kind of surface. It penetrates only a few micrometers into the material and therefore does not deform the packaging media. Currently, machines are being built to transfer pre-sterilised syringes, packed in plastic tubs with a Tyvek cover into an aseptic filling isolator with the following data: decontamination efficiency of 10 6 (6 log spore

  2. A cavity QED scheme for transferring of two-atom product state%传送两原子直积态的腔QED方案

    Institute of Scientific and Technical Information of China (English)

    吴韬; 何娟; 倪致祥; 叶柳

    2008-01-01

    本文提出一个基于原子和腔场共振相互作用传送未知原子直积态的腔QED方案,原子和腔场通过J-C哈密顿量发生共振相互作用.在这个方案里,我们只需要用两个原子接受被传送的原子态以及两个单模腔作为量子通道.该方案既不需要贝尔态测量,也不需要任何操作重构纠缠初态,并且传送成功的概率为100%.这个方案也可以推广到传送n个原子的直积态.%In this paper, we propose a simple scheme for transferring of a two-atom product state via cavity quantum electrodynamics. Our proposal is based on atom-cavity field resonant interaction, the atom interacts resonantly with the mode of the cavity according to the Jaynes-Cummings Hamiltonian. This proposal only requires two atoms for receiving the teleported state, and two cavities as the quantum channel. The scheme does not require performing any transformations to reconstruct the initial state and does not require Bell-state measurement. In addition, the transfer of the scheme has a successful probability of 100 percent in a simple manner. And the scheme can also be extended to transfer product state of n-atom.

  3. A New Reaction-controlled Phase-transfer Catalyst System

    Institute of Scientific and Technical Information of China (English)

    Ming Qiang LI; Xi Gao JIAN; Gui Mei WANG; Yan YU

    2004-01-01

    A new reaction-controlled phase-transfer catalyst system was designed and synthesized. In this system, heteropolytungstate [C7H7N(CH3)3]9PW9O34 was used for catalytic epoxidation of cyclohexene with H2O2 as the oxidant. The conversion of H2O2 was 100% and the yield of cyclohexene oxide was 87.1% based on cyclohexene. Infrared spectra showed that both fresh catalyst and the recovered catalyst do have completely same absorption peak, indicating the structure of catalyst is very stability and can be recycled.

  4. RELAP5 MODEL OF THE DIVERTOR PRIMARY HEAT TRANSFER SYSTEM

    Energy Technology Data Exchange (ETDEWEB)

    Popov, Emilian L [ORNL; Yoder Jr, Graydon L [ORNL; Kim, Seokho H [ORNL

    2010-08-01

    This report describes the RELAP5 model that has been developed for the divertor primary heat transfer system (PHTS). The model is intended to be used to examine the transient performance of the divertor PHTS and evaluate control schemes necessary to maintain parameters within acceptable limits during transients. Some preliminary results are presented to show the maturity of the model and examine general divertor PHTS transient behavior. The model can be used as a starting point for developing transient modeling capability, including control system modeling, safety evaluations, etc., and is not intended to represent the final divertor PHTS design. Preliminary calculations using the models indicate that during normal pulsed operation, present pressurizer controls may not be sufficient to keep system pressures within their desired range. Additional divertor PHTS and control system design efforts may be required to ensure system pressure fluctuation during normal operation remains within specified limits.

  5. Transferability and reproducibility in electron-density studies--bond-topological and atomic properties of tripeptides of the type L-alanyl-X-L-alanine.

    Science.gov (United States)

    Grabowsky, Simon; Kalinowski, Roman; Weber, Manuela; Förster, Diana; Paulmann, Carsten; Luger, Peter

    2009-08-01

    In the last decade three different data bank approaches have been developed that are intended to make electron-density examinations of large biologically important molecules possible. They rely on Bader's concept of transferability of submolecular fragments with retention of their electronic properties. Therefore, elaborate studies on the quantification of transferability in experiment and theory are still very important. Tripeptides of the type L-alanyl-X-L-alanine (X being any of the 20 naturally encoded amino acids) serve as a model case between amino acids and proteins. The two experimental electron-density determinations (L-alanyl-L-histidinyl-L-alanine and L-alanyl-L-phenylalanyl-L-alanine, highly resolved synchrotron X-ray diffraction data sets) performed in this study and theoretical calculations on all 20 different L-alanyl-X-L-alanine molecules contribute to a better estimation of transferability in the peptide case. As a measure of reproducibility and transferability, standard deviations from averaging over bond-topological and atomic properties of atoms or bonds that are considered equal in their chemical environments were calculated. This way, transferability and reproducibility indices were introduced. It can be shown that experimental transferability indices generally slightly exceed experimental reproducibility indices and that these larger deviations can be attributed to chemical effects such as changes in the geometry (bond lengths and angles), the polarization pattern and the neighboring sphere due to crystal packing. These effects can partly be separated from each other and quantified with the help of gas-phase calculations at optimized and experimental geometries. Thus, the degree of transferability can be quantified in very narrow limits taking into account experimental errors and chemical effects.

  6. Improved power transfer to wearable systems through stretchable magnetic composites

    Science.gov (United States)

    Lazarus, N.; Bedair, S. S.

    2016-05-01

    The use of wireless power transfer is common in stretchable electronics since physical wiring can be easily destroyed as the system is stretched. This work presents the first demonstration of improved inductive power coupling to a stretchable system through the addition of a thin layer of ferroelastomeric material. A ferroelastomer, an elastomeric polymer loaded with magnetic particulates, has a permeability greater than one while retaining the ability to survive significant mechanical strains. A recently developed ferroelastomer composite based on sendust platelets within a soft silicone elastomer was incorporated into liquid metal stretchable inductors based on the liquid metal galinstan in fluidic channels. For a single-turn inductor, the maximum power transfer efficiency rises from 71 % with no backplane, to 81 % for a rigid ferrite backplane on the transmitter side alone, to 86 % with a ferroelastomer backplane on the receiver side as well. The coupling between a commercial wireless power transmitter coil with ferrite backplane to a five-turn liquid metal inductor was also investigated, finding an improvement in power transfer efficiency from 81 % with only a rigid backplane to 90 % with the addition of the ferroelastomer backplane. Both the single and multi-turn inductors were demonstrated surviving up to 50 % uniaxial applied strain.

  7. Superconducting resonator and Rydberg atom hybrid system in the strong coupling regime

    Science.gov (United States)

    Yu, Deshui; Landra, Alessandro; Valado, María Martínez; Hufnagel, Christoph; Kwek, Leong Chuan; Amico, Luigi; Dumke, Rainer

    2016-12-01

    We propose a promising hybrid quantum system, where a highly excited atom strongly interacts with a superconducting L C oscillator via the electric field of capacitor. An external electrostatic field is applied to tune the energy spectrum of the atom. The atomic qubit is implemented by two eigenstates near an avoided-level crossing in the dc Stark map of a Rydberg atom. Varying the electrostatic field brings the atomic-qubit transition on or off resonance with respect to the microwave resonator, leading to a strong atom-resonator coupling with an extremely large cooperativity. Like the nonlinearity induced by Josephson junctions in superconducting circuits, the large atom-resonator interface disturbs the harmonic potential of the resonator, resulting in an artificial two-level particle. Different universal two-qubit logic gates can also be performed on our hybrid system within the space where an atomic qubit couples to a single photon with an interaction strength much larger than any relaxation rates, opening the door to the cavity-mediated state transmission.

  8. Importance of π-stacking interactions in the hydrogen atom transfer reactions from activated phenols to short-lived N-oxyl radicals.

    Science.gov (United States)

    Mazzonna, Marco; Bietti, Massimo; DiLabio, Gino A; Lanzalunga, Osvaldo; Salamone, Michela

    2014-06-06

    A kinetic study of the hydrogen atom transfer from activated phenols (2,6-dimethyl- and 2,6-di-tert-butyl-4-substituted phenols, 2,2,5,7,8-pentamethylchroman-6-ol, caffeic acid, and (+)-cathechin) to a series of N-oxyl radical (4-substituted phthalimide-N-oxyl radicals (4-X-PINO), 6-substituted benzotriazole-N-oxyl radicals (6-Y-BTNO), 3-quinazolin-4-one-N-oxyl radical (QONO), and 3-benzotriazin-4-one-N-oxyl radical (BONO)), was carried out by laser flash photolysis in CH3CN. A significant effect of the N-oxyl radical structure on the hydrogen transfer rate constants (kH) was observed with kH values that monotonically increase with increasing NO-H bond dissociation energy (BDENO-H) of the N-hydroxylamines. The analysis of the kinetic data coupled to the results of theoretical calculations indicates that these reactions proceed by a hydrogen atom transfer (HAT) mechanism where the N-oxyl radical and the phenolic aromatic rings adopt a π-stacked arrangement. Theoretical calculations also showed pronounced structural effects of the N-oxyl radicals on the charge transfer occurring in the π-stacked conformation. Comparison of the kH values measured in this study with those previously reported for hydrogen atom transfer to the cumylperoxyl radical indicates that 6-CH3-BTNO is the best N-oxyl radical to be used as a model for evaluating the radical scavenging ability of phenolic antioxidants.

  9. Quantum entanglement in the system of two two-level atoms interacting with a single-mode vacuum field

    Institute of Scientific and Technical Information of China (English)

    Zeng Ke; Fang Mao-Fa

    2005-01-01

    The entanglement properties of the system of two two-level atoms interacting with a single-mode vacuum field are explored. The quantum entanglement between two two-level atoms and a single-mode vacuum field is investigated by using the quantum reduced entropy; the quantum entanglement between two two-level atoms, and that between a single two-level atom and a single-mode vacuum field are studied in terms of the quantum relative entropy. The influences of the atomic dipole-dipole interaction on the quantum entanglement of the system are also discussed. Our results show that three entangled states of two atoms-field, atom-atom, and atom-field can be prepared via two two-level atoms interacting with a single-mode vacuum field.

  10. Quantum dynamics of a two-atom-qubit system

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen Van Hieu; Nguyen Bich Ha [Max-Planck Institute for the Physics of Complex Systems, Noethnitzer Str. 38, D-01187 Dresden (Germany); Le Thi Ha Linh [Institute of Materials Science, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Cau Giay, Hanoi (Viet Nam)], E-mail: nvhieu@iop.vast.ac.vn

    2009-09-01

    A physical model of the quantum information exchange between two qubits is studied theoretically. The qubits are two identical two-level atoms, the physical mechanism of the quantum information exchange is the mutual dependence of the reduced density matrices of two qubits generated by their couplings with a multimode radiation field. The Lehmberg-Agarwal master equation is exactly solved. The explicit form of the mutual dependence of two reduced density matrices is established. The application to study the entanglement of two qubits is discussed.

  11. Three-body systems in physics of cold atoms and halo nuclei

    CERN Document Server

    Ji, Chen

    2015-01-01

    Few-body systems, such as cold atoms and halo nuclei, share universal features at low energies, which are insensitive to the underlying inter-particle interactions at short ranges. These low-energy properties can be investigated in the framework of effective field theory with two-body and three-body contact interactions. I review the effective-field-theory studies of universal physics in three-body systems, focusing on the application in cold atoms and halo nuclei.

  12. Heat transfer and flow in solar energy and bioenergy systems

    Science.gov (United States)

    Xu, Ben

    The demand for clean and environmentally benign energy resources has been a great concern in the last two decades. To alleviate the associated environmental problems, reduction of the use of fossil fuels by developing more cost-effective renewable energy technologies becomes more and more significant. Among various types of renewable energy sources, solar energy and bioenergy take a great proportion. This dissertation focuses on the heat transfer and flow in solar energy and bioenergy systems, specifically for Thermal Energy Storage (TES) systems in Concentrated Solar Power (CSP) plants and open-channel algal culture raceways for biofuel production. The first part of this dissertation is the discussion about mathematical modeling, numerical simulation and experimental investigation of solar TES system. First of all, in order to accurately and efficiently simulate the conjugate heat transfer between Heat Transfer Fluid (HTF) and filler material in four different solid-fluid TES configurations, formulas of an e?ective heat transfer coe?cient were theoretically developed and presented by extending the validity of Lumped Capacitance Method (LCM) to large Biot number, as well as verifications/validations to this simplified model. Secondly, to provide design guidelines for TES system in CSP plant using Phase Change Materials (PCM), a general storage tank volume sizing strategy and an energy storage startup strategy were proposed using the enthalpy-based 1D transient model. Then experimental investigations were conducted to explore a novel thermal storage material. The thermal storage performances were also compared between this novel storage material and concrete at a temperature range from 400 °C to 500 °C. It is recommended to apply this novel thermal storage material to replace concrete at high operating temperatures in sensible heat TES systems. The second part of this dissertation mainly focuses on the numerical and experimental study of an open-channel algae

  13. Ultrafast Photoinduced Electron Transfer in Bimolecular Donor-Acceptor Systems

    KAUST Repository

    Alsulami, Qana A.

    2016-11-30

    The efficiency of photoconversion systems, such as organic photovoltaic (OPV) cells, is largely controlled by a series of fundamental photophysical processes occurring at the interface before carrier collection. A profound understanding of ultrafast interfacial charge transfer (CT), charge separation (CS), and charge recombination (CR) is the key determinant to improving the overall performances of photovoltaic devices. The discussion in this dissertation primarily focuses on the relevant parameters that are involved in photon absorption, exciton separation, carrier transport, carrier recombination and carrier collection in organic photovoltaic devices. A combination of steady-state and femtosecond broadband transient spectroscopies was used to investigate the photoinduced charge carrier dynamics in various donor-acceptor systems. Furthermore, this study was extended to investigate some important factors that influence charge transfer in donor-acceptor systems, such as the morphology, energy band alignment, electronic properties and chemical structure. Interestingly, clear correlations among the steady-state measurements, time-resolved spectroscopy results, grain alignment of the electron transporting layer (ETL), carrier mobility, and device performance are found. In this thesis, we explored the significant impacts of ultrafast charge separation and charge recombination at donor/acceptor (D/A) interfaces on the performance of a conjugated polymer PTB7-Th device with three fullerene acceptors: PC71BM, PC61BM and IC60BA. Time-resolved laser spectroscopy and high-resolution electron microscopy can illustrate the basis for fabricating solar cell devices with improved performances. In addition, we studied the effects of the incorporation of heavy metals into π-conjugated chromophores on electron transfer by monitoring the triplet state lifetime of the oligomer using transient absorption spectroscopy, as understanding the mechanisms controlling intersystem crossing and

  14. Enhacements to the TTS-502 time transfer system

    Science.gov (United States)

    Vandierendonck, A. J.; Hua, Q. D.

    1985-04-01

    Two years ago STI introduced an affordable, relatively compact time transfer system on the market -- the TTS-502, and described that system at the 1981 PTTI conference. Over the past few months, that system has been improved, and new features have been added. In addition, new options have been made available to further enhance the capabilities of the system. These enhancements include the addition of a positioning algorithm and new options providing a corrected 5 MHz output that is phase coherent with the 1 pps output, and providing an internal Rubidium Oscillator. The Positioning Algorithm was developed because not all time transfer users had the luxury of the Defense Mapping Agency's (DMA) services for determining their position in WGS-72 coordinates. The enhanced TTS-502 determines the GPS position anywhere in the world, independent of how many GPS satellites are concurrently visible. However, convergence time to a solution is inversely proportional to the number of satellites concurrently visible and the quality of frequency standard used in conjunction with the TTS-502. Real World solution results will be presented for a variety of cases and satellite scheduling scenarios. Typically, positioning accuracies were achieved better than 5 to 10 meters r.s.s. using the C/A code only at Sunnyvale, California.

  15. Genome modifications and cloning using a conjugally transferable recombineering system

    Directory of Open Access Journals (Sweden)

    Mohammad J Hossain

    2015-12-01

    Full Text Available The genetic modification of primary bacterial disease isolates is challenging due to the lack of highly efficient genetic tools. Herein we describe the development of a modified PCR-based, λ Red-mediated recombineering system for efficient deletion of genes in Gram-negative bacteria. A series of conjugally transferrable plasmids were constructed by cloning an oriT sequence and different antibiotic resistance genes into recombinogenic plasmid pKD46. Using this system we deleted ten different genes from the genomes of Edwardsiella ictaluri and Aeromonas hydrophila. A temperature sensitive and conjugally transferable flp recombinase plasmid was developed to generate markerless gene deletion mutants. We also developed an efficient cloning system to capture larger bacterial genetic elements and clone them into a conjugally transferrable plasmid for facile transferring to Gram-negative bacteria. This system should be applicable in diverse Gram-negative bacteria to modify and complement genomic elements in bacteria that cannot be manipulated using available genetic tools.

  16. Energy transfer in mesoscopic vibrational systems enabled by eigenfrequency fluctuations

    Science.gov (United States)

    Atalaya, Juan

    Energy transfer between low-frequency vibrational modes can be achieved by means of nonlinear coupling if their eigenfrequencies fulfill certain nonlinear resonance conditions. Because of the discreteness of the vibrational spectrum at low frequencies, such conditions may be difficult to satisfy for most low-frequency modes in typical mesoscopic vibrational systems. Fluctuations of the vibrational eigenfrequencies can also be relatively strong in such systems. We show that energy transfer between modes can occur in the absence of nonlinear resonance if frequency fluctuations are allowed. The case of three modes with cubic nonlinear coupling and no damping is particularly interesting. It is found that the system has a non-thermal equilibrium state which depends only on the initial conditions. The rate at which the system approaches to such state is determined by the parameters such as the noise strength and correlation time, the nonlinearity strength and the detuning from exact nonlinear resonance. We also discuss the case of many weakly coupled modes. Our results shed light on the problem of energy relaxation of low-frequency vibrational modes into the continuum of high-frequency vibrational modes. The results have been obtained with Mark Dykman. Alternative email: jatalaya2012@gmail.com.

  17. Observation of electromagnetically induced Talbot effect in an atomic system with nonlinearity

    CERN Document Server

    Zhang, Zhaoyang; Zhang, Dan; Sheng, Jiteng; Zhang, Yiqi; Zhang, Yanpeng; Xiao, Min

    2016-01-01

    We experimentally demonstrate the Talbot effect resulting from the repeatedly self-reconstruction of a spatially intensity-modulated probe field under the Fresnel near-field regime. By launching the probe beam into an optically induced atomic lattice (established by interfering two coupling fields) inside a thermal rubidium vapor cell, we can obtain an electromagnetically induced grating (EIG) on probe beam in a coherent three-level $\\Lambda$-type Doppler-free atomic configuration with the assistance of electromagnetically induced transparency (EIT) window, which can modify and greatly enhance the Kerr nonlinearity near atomic resonance. The EIG patterns out of the cell can repeat the image at the output plane of the cell at integer multiples of Talbot length, which agree well with the theoretical prediction [Appl. Phys. Lett., 98, 081108 (2011)]. Such first demonstrated EIT Talbot effect in a coherent atomic system may pave a lensless and nondestructive way for imaging ultracold atoms or molecules.

  18. Lasing and high temperature phase transitions in atomic systems with dressed state polaritons

    CERN Document Server

    Chestnov, I Yu

    2013-01-01

    We consider the fundamental problem of high temperature phase transitions in the system of high density two-level atoms off-resonantly interacting with a pump field in the presence of optical collisions (OCs) and placed in the cavity. OCs are considered in the framework of thermalization of atomic dressed state (DS) population. For the case of a strong atom-field coupling condition we analyze the problem of thermodynamically equilibrium superradiant phase transition for the order parameter representing a real amplitude of cavity mode and taking place as a result of atomic DSs thermalization process. Such transition is also connected with condensed (coherent) properties of low branch (LB) DS-polaritons occurring in the cavity. For describing non-equilibrium phase transitions we derive Maxwell-Bloch like equations which account for cavity decay rate, collisional decay rate and spontaneous emission. Various aspects of transitions to laser field formation by using atomic DS levels for both positive and negative d...

  19. Interaction between two SU(1 , 1) quantum systems and a two-level atom

    Science.gov (United States)

    Abdalla, M. Sebawe; Khalil, E. M.; Obada, A. S.-F.

    2016-07-01

    We consider a two-level atom interacting with two coupled quantum systems that can be represented in terms of su(1 , 1) Lie algebra. The wave function that is obtained using the evolution operator for the atom is initially in a superposition state and the coupled su(1 , 1) systems in a pair coherent Barut-Girardello coherent state. We then discuss atomic inversion, where more periods of revivals are observed and compared with a single su(1 , 1) quantum system. For entanglement and squeezing phenomena, the atomic angles coherence and phase as well as the detuning are effective parameters. The second-order correlation function displays Bunching and anti-Bunching behavior.

  20. Dynamics of an all-optical atomic spin gyroscope.

    Science.gov (United States)

    Fang, Jiancheng; Wan, Shuangai; Yuan, Heng

    2013-10-20

    We present the transfer function of an all-optical atomic spin gyroscope through a series of differential equations and validate the transfer function by experimental test. A transfer function is the basis for further control system design. We build the differential equations based on a complete set of Bloch equations describing the all-optical atomic spin gyroscope, and obtain the transfer function through application of the Laplace transformation to these differential equations. Moreover, we experimentally validate the transfer function in an all-optical Cs-Xe129 atomic spin gyroscope through a series of step responses. This transfer function is convenient for analysis of the form of control system required. Furthermore, it is available for the design of the control system specifically to improve the performance of all-optical atomic spin gyroscopes.

  1. The Electron Transfer System of Syntrophically Grown Desulfovibrio vulgaris

    Energy Technology Data Exchange (ETDEWEB)

    PBD; ENIGMA; GTL; VIMSS; Walker, Christopher B.; He, Zhili; Yang, Zamin K.; Ringbauer Jr., Joseph A.; He, Qiang; Zhou, Jizhong; Voordouw, Gerrit; Wall, Judy D.; Arkin, Adam P.; Hazen, Terry C.; Stolyar, Sergey; Stahl, David A.

    2009-06-22

    Interspecies hydrogen transfer between organisms producing and consuming hydrogen promotes the decomposition of organic matter in most anoxic environments. Although syntrophic couplings between hydrogen producers and consumers are a major feature of the carbon cycle, mechanisms for energy recovery at the extremely low free energies of reactions typical of these anaerobic communities have not been established. In this study, comparative transcriptional analysis of a model sulfate-reducing microbe, Desulfovibrio vulgaris Hildenborough, suggested the use of alternative electron transfer systems dependent upon growth modality. During syntrophic growth on lactate with a hydrogenotrophic methanogen, D. vulgaris up-regulated numerous genes involved in electron transfer and energy generation when compared with sulfate-limited monocultures. In particular, genes coding for the putative membrane-bound Coo hydrogenase, two periplasmic hydrogenases (Hyd and Hyn) and the well-characterized high-molecular weight cytochrome (Hmc) were among the most highly expressed and up-regulated. Additionally, a predicted operon coding for genes involved in lactate transport and oxidation exhibited up-regulation, further suggesting an alternative pathway for electrons derived from lactate oxidation during syntrophic growth. Mutations in a subset of genes coding for Coo, Hmc, Hyd and Hyn impaired or severely limited syntrophic growth but had little affect on growth via sulfate-respiration. These results demonstrate that syntrophic growth and sulfate-respiration use largely independent energy generation pathways and imply that understanding of microbial processes sustaining nutrient cycling must consider lifestyles not captured in pure culture.

  2. The electron transfer system of syntrophically grown Desulfovibrio vulgaris

    Energy Technology Data Exchange (ETDEWEB)

    Walker, C.B.; He, Z.; Yang, Z.K.; Ringbauer, Jr., J.A.; He, Q.; Zhou, J.; Voordouw, G.; Wall, J.D.; Arkin, A.P.; Hazen, T.C.; Stolyar, S.; Stahl, D.A.

    2009-05-01

    Interspecies hydrogen transfer between organisms producing and consuming hydrogen promotes the decomposition of organic matter in most anoxic environments. Although syntrophic couplings between hydrogen producers and consumers are a major feature of the carbon cycle, mechanisms for energy recovery at the extremely low free energies of reactions typical of these anaerobic communities have not been established. In this study, comparative transcriptional analysis of a model sulfate-reducing microbe, Desulfovibrio vulgaris Hildenborough, suggested the use of alternative electron transfer systems dependent upon growth modality. During syntrophic growth on lactate with a hydrogenotrophic methanogen, D. vulgaris up-regulated numerous genes involved in electron transfer and energy generation when compared with sulfate-limited monocultures. In particular, genes coding for the putative membrane-bound Coo hydrogenase, two periplasmic hydrogenases (Hyd and Hyn) and the well-characterized high-molecular weight cytochrome (Hmc) were among the most highly expressed and up-regulated. Additionally, a predicted operon coding for genes involved in lactate transport and oxidation exhibited up-regulation, further suggesting an alternative pathway for electrons derived from lactate oxidation during syntrophic growth. Mutations in a subset of genes coding for Coo, Hmc, Hyd and Hyn impaired or severely limited syntrophic growth but had little affect on growth via sulfate-respiration. These results demonstrate that syntrophic growth and sulfate-respiration use largely independent energy generation pathways and imply that understanding of microbial processes sustaining nutrient cycling must consider lifestyles not captured in pure culture.

  3. Hg Vetical Transference in Soil—Water System

    Institute of Scientific and Technical Information of China (English)

    GUOYIJUN; MOUSUSEN; 等

    1998-01-01

    Hg vertial transference in soil-water system was studied by analyzing Hg vertical ditribution in soil column after adding Hg and one of the two leacheates,deionzied water or acid rain,into soil column.The results indicated that Hg was hardly transferable in puple soil.About 86%-88% of the total soil Hg was distributed in the top layer (0-2cm) and to Hg was detected in the leakage when the purple soil column was leached by deionized water and simulated acid rain.But Hg was more movalbe in yellow soil with only about 20%-22% of the total soil Hg distributed in the top layer (0-2cm),and about 17%-25% washed out from the soil column by deionized water and simulted acid rain,Incremant in soil bulk density colud reduce Hg leaching,thus the more the Hg kept in soil,the less the Hg leached into underground water,Deionized water and acid rain almost played the same role in leaching Hg.Bentioint was most effecient in preventing Hg from vertcal transferring in the soil coulumn.

  4. Observation of a power-law energy distribution in atom-ion hybrid system

    Science.gov (United States)

    Meir, Ziv; Akerman, Nitzan; Sikorsky, Tomas; Ben-Shlomi, Ruti; Dallal, Yehonatan; Ozeri, Roee

    2016-05-01

    Understanding atom-ion collision dynamics is at the heart of the growing field of ultra-cold atom-ion physics. The naive picture of a hot ion sympathetically-cooled by a cold atomic bath doesn't hold due to the time dependent potentials generated by the ion Paul trap. The energy scale of the atom-ion system is determined by a combination of the atomic bath temperature, the ion's excess micromotion (EMM) and the back action of the atom-ion attraction on the ion's position in the trap. However, it is the position dependent ion's inherent micromotion which acts as an amplifier for the ion's energy during random consecutive collisions. Due to this reason, the ion's energy distribution deviates from Maxwell-Boltzmann (MB) characterized by an exponential tail to one with power-law tail described by Tsallis q-exponential function. Here we report on the observation of a strong deviation from MB to Tsallis energy distribution of a trapped ion. In our experiment, a ground-state cooled 88 Sr+ ion is immersed in an ultra-cold cloud of 87 Rb atoms. The energy scale is determined by either EMM or solely due to the back action on the ion position during a collision with an atom in the trap. Energy distributions are obtained using narrow optical clock spectroscopy.

  5. Does the position of the electron-donating nitrogen atom in the ring system influence the efficiency of a dye-sensitized solar cell? A computational study.

    Science.gov (United States)

    Biswas, Abul Kalam; Barik, Sunirmal; Das, Amitava; Ganguly, Bishwajit

    2016-06-01

    We have reported a number of new metal-free organic dyes (2-6) that have cyclic asymmetric benzotripyrrole derivatives as donor groups with peripheral nitrogen atoms in the ring, fluorine and thiophene groups as π-spacers, and a cyanoacrylic acid acceptor group. Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations were employed to examine the influence of the position of the donor nitrogen atom and π-conjugation on solar cell performance. The calculated electron-injection driving force (ΔG inject), electron-regeneration driving force (ΔG regen), light-harvesting efficiency (LHE), dipole moment (μ normal), and number of electrons transferred (∆q) indicate that dyes 3, 4, and 6 have significantly higher efficiencies than reference dye 1, which exhibits high efficiency. We also extended our comparison to some other reported dyes, 7-9, which have a donor nitrogen atom in the middle of the ring system. The computed results suggest that dye 6 possesses a higher incident photon to current conversion efficiency (IPCE) than reported dyes 7-9. Thus, the use of donor groups with peripheral nitrogen atoms appears to lead to more efficient dyes than those in which the nitrogen atom is present in the middle of the donor ring system. Graphical Abstract The locations of the nitrogen atoms in the donor groups in the designed dye molecules have an important influence on DSSC efficiency.

  6. Photoinduced electron transfer of chlorophyll in lipid bilayer system

    Indian Academy of Sciences (India)

    D K Lee; K W Seo; Y S Kang

    2002-12-01

    Photoinduced electron transfer from chlorophyll- through the interface of dipalmitoylphosphatidylcholine (DPPC) headgroup of the lipid bilayers was studied with electron magnetic resonance (EMR). The photoproduced radicals were identified with electron spin resonance (ESR) and radical yields of chlorophyll- were determined by double integration ESR spectra. The formation of vesicles was identified by changes in measured max values from diethyl ether solutions to vesicles solutions indirectly, and observed directly with SEM and TEM images. The efficiency of photosynthesis in model system was determined by measuring the amount of chlorophyll-a radical yields which were obtained from integration of ESR spectra.

  7. Container lid gasket protective strip for double door transfer system

    Science.gov (United States)

    Allen, Jr., Burgess M

    2013-02-19

    An apparatus and a process for forming a protective barrier seal along a "ring of concern" of a transfer container used with double door systems is provided. A protective substrate is supplied between a "ring of concern" and a safety cover in which an adhesive layer of the substrate engages the "ring of concern". A compressive foam strip along an opposite side of the substrate engages a safety cover such that a compressive force is maintained between the "ring of concern" and the adhesive layer of the substrate.

  8. A compact and robust diode laser system for atom interferometry on a sounding rocket

    CERN Document Server

    Schkolnik, V; Wenzlawski, A; Grosse, J; Kohfeldt, A; Döringshoff, K; Wicht, A; Windpassinger, P; Sengstock, K; Braxmaier, C; Krutzik, M; Peters, A

    2016-01-01

    We present a diode laser system optimized for laser cooling and atom interferometry with ultra-cold rubidium atoms aboard sounding rockets as an important milestone towards space-borne quantum sensors. Design, assembly and qualification of the system, combing micro-integrated distributed feedback (DFB) diode laser modules and free space optical bench technology is presented in the context of the MAIUS (Matter-wave Interferometry in Microgravity) mission. This laser system, with a volume of 21 liters and total mass of 27 kg, passed all qualification tests for operation on sounding rockets and is currently used in the integrated MAIUS flight system producing Bose-Einstein condensates and performing atom interferometry based on Bragg diffraction. The MAIUS payload is being prepared for launch in fall 2016. We further report on a reference laser system, comprising a rubidium stabilized DFB laser, which was operated successfully on the TEXUS 51 mission in April 2015. The system demonstrated a high level of technol...

  9. Optical transfer function analysis of circular-pupil wavefront coding systems with separable phase masks

    Institute of Scientific and Technical Information of China (English)

    Zhao Ting-Yu; Liu Qin-Xiao; Yu Fei-Hong

    2012-01-01

    This paper proposes a simple method to achieve the optical transfer function of a circular pupil wavefront coding system with a separable phase mask in Cartesian coordinates.Based on the stationary phase method,the optical transfer function of the circular pupil system can be easily obtained from the optical transfer function of the rectangular pupil system by modifying the cut-off frequency and the on-axial modulation transfer function.Finally,a system with a cubic phase mask is used as an example to illustrate the way to achieve the optical transfer function of the circular pupil system from the rectangular pupil system.

  10. Steric Effect for Proton, Hydrogen-Atom, andHydride Transfer Reactions with Geometric Isomers of NADH-Model Ruthenium Complexes

    Energy Technology Data Exchange (ETDEWEB)

    Fujita E.; Cohen, B.W.; Polyansky, D.E.; Achord, P.; Cabelli, D.; Muckerman, J.T.; Tanaka, K.; Thummel, R.P.; Zong, R.

    2012-01-01

    Two isomers, [Ru(1)]{sup 2+} (Ru = Ru(bpy){sub 2}, bpy = 2,2{prime}-bipyridine, 1 = 2-(pyrid-2{prime}-yl)-1-azaacridine) and [Ru(2)]{sup 2+} (2 = 3-(pyrid-2{prime}-yl)-4-azaacridine), are bio-inspired model compounds containing the nicotinamide functionality and can serve as precursors for the photogeneration of C-H hydrides for studying reactions pertinent to the photochemical reduction of metal-C{sub 1} complexes and/or carbon dioxide. While it has been shown that the structural differences between the azaacridine ligands of [Ru(1)]{sup 2+} and [Ru(2)]{sup 2+} have a significant effect on the mechanism of formation of the hydride donors, [Ru(1HH)]{sup 2+} and [Ru(2HH)]{sup 2+}, in aqueous solution, we describe the steric implications for proton, net-hydrogen-atom and net-hydride transfer reactions in this work. Protonation of [Ru(2{sup {sm_bullet}-})]{sup +} in aprotic and even protic media is slow compared to that of [Ru(1{sup {sm_bullet}-})]{sup +}. The net hydrogen-atom transfer between *[Ru(1)]{sup 2+} and hydroquinone (H{sub 2}Q) proceeds by one-step EPT, rather than stepwise electron-proton transfer. Such a reaction was not observed for *[Ru(2)]{sup 2+} because the non-coordinated N atom is not easily available for an interaction with H{sub 2}Q. Finally, the rate of the net hydride ion transfer from [Ru(1HH)]{sup 2+} to [Ph{sub 3}C]{sup +} is significantly slower than that of [Ru(2HH)]{sup 2+} owing to steric congestion at the donor site.

  11. Interference control of nonlinear excitation in a multi-atom cavity quantum electrodynamics system.

    Science.gov (United States)

    Yang, Guoqing; Tan, Zheng; Zou, Bichen; Zhu, Yifu

    2014-12-01

    We show that by manipulating quantum interference in a multi-atom cavity quantum electrodynamics (CQED) system, the nonlinear excitation of the cavity-atom polariton can be resonantly enhanced while the linear excitation is suppressed. Under the appropriate conditions, it is possible to selectively enhance or suppress the polariton excitation with two free-pace laser fields. We report on an experiment with cold Rb atoms in an optical cavity and present experimental results that demonstrate such interference control of the CQED excitation and its direct application to studies of all-optical switching and cross-phase modulation of the cavity-transmitted light.

  12. Electronic Origins of the Variable Efficiency of Room-Temperature Methane Activation by Homo- and Heteronuclear Cluster Oxide Cations [XYO2](+) (X, Y = Al, Si, Mg): Competition between Proton-Coupled Electron Transfer and Hydrogen-Atom Transfer.

    Science.gov (United States)

    Li, Jilai; Zhou, Shaodong; Zhang, Jun; Schlangen, Maria; Weiske, Thomas; Usharani, Dandamudi; Shaik, Sason; Schwarz, Helmut

    2016-06-29

    The reactivity of the homo- and heteronuclear oxide clusters [XYO2](+) (X, Y = Al, Si, Mg) toward methane was studied using Fourier transform ion cyclotron resonance mass spectrometry, in conjunction with high-level quantum mechanical calculations. The most reactive cluster by both experiment and theory is [Al2O2](•+). In its favorable pathway, this cluster abstracts a hydrogen atom by means of proton-coupled electron transfer (PCET) instead of following the conventional hydrogen-atom transfer (HAT) route. This mechanistic choice originates in the strong Lewis acidity of the aluminum site of [Al2O2](•+), which cleaves the C-H bond heterolytically to form an Al-CH3 entity, while the proton is transferred to the bridging oxygen atom of the cluster ion. In addition, a comparison of the reactivity of heteronuclear and homonuclear oxide clusters [XYO2](+) (X, Y = Al, Si, Mg) reveals a striking doping effect by aluminum. Thus, the vacant s-p hybrid orbital on Al acts as an acceptor of the electron pair from methyl anion (CH3(-)) and is therefore eminently important for bringing about thermal methane activation by PCET. For the Al-doped cluster ions, the spin density at an oxygen atom, which is crucial for the HAT mechanism, acts here as a spectator during the course of the PCET mediated C-H bond cleavage. A diagnostic plot of the deformation energy vis-à-vis the barrier shows the different HAT/PCET reactivity map for the entire series. This is a strong connection to the recently discussed mechanism of oxidative coupling of methane on magnesium oxide surfaces proceeding through Grignard-type intermediates.

  13. Parallel algorithm of solidification process simulation for large-sized system of liquid metal atoms

    Institute of Scientific and Technical Information of China (English)

    董科军; 刘让苏; 郑采星; 刘海蓉; 彭平; 卢小勇; 胡庆丰; 何新芳

    2003-01-01

    A parallel arithmetic program for the molecular dynamics (MD) simulation study of a large-sized system consisting of 50 000-100 000 atoms of liquid metals is reformed, based on the cascade arithmetic program used for the molecular dynamics simulation study of a small-sized system consisting of 500-1 000 atoms. The program is used to simulate the rapid solidification processes of liquid metal Al system. Some new results, such as larger clusters composed of more than 3-6 smaller clusters (icosahedra or defect icosahedra) obtained in the system of 50 000 atoms, however, the larger clusters can not be seen in the small-sized system of 500-1 000 atoms. On the other hand, the results from this simulation study would be more closed to the real situation of the system under consideration because the influence of boundary conditions is decreased remarkably. It can be expected that from the parallel algorithm combined with the higher performance super-computer, the total number of atoms in simulation system can be enlarged again up to tens, even hundreds times in the near future.

  14. Control of light trapping in a large atomic system by a static magnetic field

    CERN Document Server

    Skipetrov, S E; Havey, M D

    2016-01-01

    We propose to control light trapping in a large ensemble of cold atoms by an external, static magnetic field. For an appropriate choice of frequency and polarization of the exciting pulse, the field is expected to speed up the fluorescence of a dilute atomic system but can significantly slow it down in a dense ensemble. The slowing down of fluorescence is due to the excitation of spatially localized collective atomic states that appear only under a strong magnetic field and have exponentially long lifetimes. The control of fluorescence by the magnetic field may be of interest for use in future quantum-information processing devices. It also paves a way towards the experimental observation of the disorder-induced localization of light in cold atomic systems.

  15. Control of light trapping in a large atomic system by a static magnetic field

    Science.gov (United States)

    Skipetrov, S. E.; Sokolov, I. M.; Havey, M. D.

    2016-07-01

    We propose to control light trapping in a large ensemble of cold atoms by an external, static magnetic field. For an appropriate choice of frequency and polarization of the exciting pulse, the field is expected to speed up the fluorescence of a dilute atomic system. In a dense ensemble, the field does not affect the early-time superradiant signal but amplifies intensity oscillations at intermediate times and induces a very slow, nonexponential long-time decay. The slowing down of fluorescence is due to the excitation of spatially localized collective atomic states that appear only under a strong magnetic field and have exponentially long lifetimes. Our results therefore pave a way towards experimental observation of the disorder-induced localization of light in cold atomic systems.

  16. Manipulation of multiple electromagnetically induced two-photon transparency in a six-level atomic system

    Institute of Scientific and Technical Information of China (English)

    Jia Wen-Zhi; Wang Shun-Jin

    2009-01-01

    In the five-level K-type atomic system, by using another control field to couple the excited level of the coupling transition to the sixth higher excited level, a six-level atomic system is constructed. In this system, the multiple electromagnetically induced two-photon transparency has been investigated. What is more, if choosing the parameters of the control fields properly the triple transparency window will reduce to a double one which means that the multiple electromagnetically induced two-photon transparency can be manipulated in this system. The physical interpretation of these phenomena is given in terms of the dressed states and the dark states.

  17. Investigation of the Mechanism of Electron Capture and Electron Transfer Dissociation of Peptides with a Covalently Attached Free Radical Hydrogen Atom Scavenger.

    Science.gov (United States)

    Sohn, Chang Ho; Yin, Sheng; Peng, Ivory; Loo, Joseph A; Beauchamp, J L

    2015-11-15

    The mechanisms of electron capture and electron transfer dissociation (ECD and ETD) are investigated by covalently attaching a free-radical hydrogen atom scavenger to a peptide. The 2,2,6,6-tetramethylpiperidin-l-oxyl (TEMPO) radical was chosen as the scavenger due to its high hydrogen atom affinity (ca. 280 kJ/mol) and low electron affinity (ca. 0.45 ev), and was derivatized to the model peptide, FQX(TEMPO)EEQQQTEDELQDK. The X(TEMPO) residue represents a cysteinyl residue derivatized with an acetamido-TEMPO group. The acetamide group without TEMPO was also examined as a control. The gas phase proton affinity (882 kJ/mol) of TEMPO is similar to backbone amide carbonyls (889 kJ/mol), minimizing perturbation to internal solvation and sites of protonation of the derivatized peptides. Collision induced dissociation (CID) of the TEMPO tagged peptide dication generated stable odd-electron b and y type ions without indication of any TEMPO radical induced fragmentation initiated by hydrogen abstraction. The type and abundance of fragment ions observed in the CID spectra of the TEMPO and acetamide tagged peptides are very similar. However, ECD of the TEMPO labeled peptide dication yielded no backbone cleavage. We propose that a labile hydrogen atom in the charge reduced radical ions is scavenged by the TEMPO radical moiety, resulting in inhibition of N-Cα backbone cleavage processes. Supplemental activation after electron attachment (ETcaD) and CID of the charge-reduced precursor ion generated by electron transfer of the TEMPO tagged peptide dication produced a series of b + H (b(H)) and y + H (y(H)) ions along with some c ions having suppressed intensities, consistent with stable O-H bond formation at the TEMPO group. In summary, the results indicate that ECD and ETD backbone cleavage processes are inhibited by scavenging of a labile hydrogen atom by the localized TEMPO radical moiety. This observation supports the conjecture that ECD and ETD processes involve long

  18. Double-Electromagnetically Induced Transparency in a Y-type atomic system

    CERN Document Server

    Safari, L; Fratini, F

    2013-01-01

    We study the absorption and dispersion properties of a weak tunable probe field in a four-level Y-type atomic system driven by two strong laser (coupling) fields within the framework of density matrix formalism. It is found that the probe absorption profile displays double-electromagnetically induced transparency (double-EIT) and it is shown how to control it by changing the Rabi frequencies as well as the atom field detuning of the coupling fields.

  19. Quantum control of atomic systems by time resolved homodyne detection and feedback

    OpenAIRE

    Hofmann, Holger Friedrich; Mahler, Günter; Hess, Ortwin

    1997-01-01

    We investigate the possibilities of preserving and manipulating the coherence of atomic two-level systems by ideal projective homodyne detection and feedback. For this purpose, the photon emission process is described on time scales much shorter than the lifetime of the excited state using a model based on Wigner- Weisskopf theory. The backaction of this emission process is analytically described as a quantum diffusion of the Bloch vector. It is shown that the evolution of the atomic wave fun...

  20. Coherent versus incoherent excitation energy transfer in molecular systems.

    Science.gov (United States)

    Chang, Hung-Tzu; Cheng, Yuan-Chung

    2012-10-28

    We investigate the Markovian limit of a polaronic quantum master equation for coherent resonance energy transfer proposed recently by Jang et al. [J. Chem. Phys. 129, 101104 (2008)]. An expression for the rate of excitation energy transfer (EET) is derived and shown to exhibit both coherent and incoherent contributions. We then apply this theory to calculated EET rates for model dimer systems, and demonstrate that the small-polaron approach predicts a variety of dynamical behaviors. Notably, the results indicate that the EET dynamical behaviors can be understood by the interplay between noise-assisted EET and dynamical localization, while both are well captured by the polaron theory. Finally, we investigate bath correlation effects on the rate of EET and show that bath correlations (or anti-correlations) can either enhance or suppress EET rate depending on the strength of individual system-bath couplings. In summary, we introduce the small-polaron approach as an intuitive physical framework to consolidate our understanding of EET dynamics in the condensed phase.

  1. The BNL fan-atomized burner system prototype

    Energy Technology Data Exchange (ETDEWEB)

    Butcher, T.A.; Celebi, Y. [Brookhaven National Lab., Upton, NY (United States)

    1995-04-01

    Brookhaven National Laboratory (BNL) has a continuing interest in the development of advanced oil burners which can provide new capabilities not currently available with pressure atomized, retention head burners. Specifically program goals include: the ability to operate at firing rates as low as 0.25 gph; the ability to operate with very low excess air levels for high steady state efficiency and to minimize formation of sulfuric acid and iron sulfate fouling; low emissions of smoke, CO, and NO{sub x} even at very low excess air levels; and the potential for modulation - either staged firing or continuous modulation. In addition any such advanced burner must have production costs which would be sufficiently attractive to allow commercialization. The primary motivation for all work sponsored by the US DOE is, of course, improved efficiency. With existing boiler and furnace models this can be achieved through down-firing and low excess air operation. Also, with low excess air operation fouling and efficiency degradation due to iron-sulfate scale formation are reduced.

  2. Geometrical effects on energy transfer in disordered open quantum systems

    CERN Document Server

    Mohseni, M; Lloyd, S; Omar, Y; Rabitz, H

    2013-01-01

    We explore various design principles for efficient excitation energy transport in complex quantum systems. We investigate energy transfer efficiency in randomly disordered geometries consisting of up to 20 chromophores to explore spatial and spectral properties of small natural/artificial Light-Harvesting Complexes (LHC). We find significant statistical correlations among highly efficient random structures with respect to ground state properties, excitonic energy gaps, multichromophoric spatial connectivity, and path strengths. These correlations can even exist beyond the optimal regime of environment-assisted quantum transport. For random configurations embedded in spatial dimensions of 30 A and 50 A, we observe that the transport efficiency saturates to its maximum value if the systems contain 7 and 14 chromophores respectively. Remarkably, these optimum values coincide with the number of chlorophylls in (Fenna-Matthews-Olson) FMO protein complex and LHC II monomers, respectively, suggesting a potential nat...

  3. Variations of Positive and Negative Dispersions in Both Highly and Weakly Absorptive Atomic Systems

    Science.gov (United States)

    Abi-Salloum, Tony; Snell, Scott; Davis, Jon; Narducci, Frank

    2011-05-01

    Positive and negative dispersive media are essential in subluminal, superluminal and negative group velocity pulse propagation applications. Three-level atomic media at resonance, especially the Lambda configuration, are positively dispersive and transparent. In contrast, two-level atomic systems are negatively dispersive and opaque. In this work we study higher level atomic systems comprised of three fields coupled to three levels (double lambda) or four levels (N-Scheme). We explore the systems of interest for critical features such as negative dispersion and transparency, a combination that is needed in numerous applications, e.g. optical gyroscopes. We solve the time dependent equations perturbatively and compare them to well established behavior in three-level systems. Some of the results are analyzed in terms of resonances which control the different features of the observed dispersive and absorptive behaviors.

  4. Decay dynamics in a strongly driven atom-molecule coupled system

    CERN Document Server

    Rakshit, Arpita; Deb, Bimalendu

    2013-01-01

    Within the framework of master equation, we study decay dynamics of an atom-molecule system strongly coupled by two photoassociation lasers. Summing over the infinite number of electromagnetic vacuum modes that are coupled to the laser-dressed atom-molecule system, we obtain an integro-differential master equation for the the system's reduced density matrix. The equation is numerically solved to describe system dynamics in the presence of decay. In particular, we discuss correlated spontaneous emission from a pair of electronically excited diatomic ro-vibrational states due to their laser induced coupling to the ground continuum of atomic scattering states. This allows us to calculate time-dependence of emitted radiation intensity. It exhibits quantum beats due to coherent dynamics. The phase difference between the two driving fields is found to significantly affect the decay dynamics and the beats. Our results demonstrate the possibility to control decay from the molecular excited states and the decoherence ...

  5. Launch Vehicle Performance with Solid Particle Feed Systems for Atomic Propellants

    Science.gov (United States)

    Palaszewski, Bryan

    1998-01-01

    An analysis of launch vehicle Gross Liftoff Weight (GLOW) using high energy density atomic propellants with solid particle feed systems was conducted. The analyses covered several propellant combinations, including atoms of aluminum (Al), boron (B). carbon (C), and hydrogen (H) stored in a solid cryogenic particle, with a cryogenic liquid as the carrier fluid. Several different weight percents (wt%) for the liquid carrier were investigated and the gross lift off weight (GLOW) of the vehicles using the solid particle feed systems were compared with a conventional 02/H2 propellant vehicle. The potential benefits and effects of feed systems using solid particles in a liquid cryogenic fluid are discussed.

  6. All-optical switching in an open V-type atomic system

    Science.gov (United States)

    Jafarzadeh, H.

    2017-02-01

    In this paper, the optical bistability (OB) and absorption properties of a weak probe field in an open V-type three-level atomic system have been investigated. We found that the OB threshold could be reduced via spontaneously generated coherence (SGC), coherent and incoherent pump fields, atomic injection, and exit rates. We also found that the threshold intensity of OB in an open system was less than that in the closed system. The all-optical switching due to the OB has also been discussed.

  7. A Multiscale Factorization Method for Simulating Mesoscopic Systems with Atomic Precision

    CERN Document Server

    Mansour, Andrew Abi

    2013-01-01

    Mesoscopic N-atom systems derive their structural and dynamical properties from processes coupled across multiple scales in space and time. An efficient method for understanding and simulating such systems from the underlying N-atom formulation is presented. The method integrates notions of multiscale analysis, Trotter factorization, and a hypothesis that the momenta conjugate to coarse-grained variables can be treated as a stationary random process. The method is demonstrated for Lactoferrin protein, Nudaurelia Capensis Omega Virus, and Cowpea Chlorotic Mottle Virus to assess its accuracy and scaling with system size.

  8. Electron density characteristics and charge transfer effect of hydrogen bond O-H···Pt(II): atoms in molecules study and natural bond orbital analysis

    Science.gov (United States)

    Zhang, Guiqiu; Li, Xiwen; Li, Yan; Chen, Dezhan

    2013-11-01

    In this report, we extended the works of Rizzato et al. [Angew. Chem. Int. Ed. 49, 7440 (2010)] on the nature of O-H...Pt hydrogen bond in trans-[PtCl2(NH3)(N-glycine)].H2O(1.H2O) complex, by computational study of O-H...Pt interaction in [NBu4][Pt(C6F5)3(8-hydroxyquinaldine)], with emphasis on charge transfer effect in this interaction of platinum(II) and hydrogen atom. According to the crystallographic geometry reported by José María Casas et al., [NBu4][Pt(C6F5)3(8-hydroxyquinaldine)] possesses one O-H...Pt hydrogen bridging interaction, similar to the case in trans-[PtCl2(NH3)(N-glycine)].H2O(1.H2O) complex. On the basis of topological criteria of electron density, we characterised this O-H...Pt interaction. Charge transferred between platinum(II) and σ*O-H orbital in this complex was calculated by using NBO method. The stabilised energy associated to charge transfer was estimated using a direct proportionality, that is 2-3 eV per electron transferred. Charge transfer effects in O-H...Pt hydrogen bonds were studied for these two complexes. Our results indicate that the interaction of O-H...Pt is closed-shell in nature with significant charge transfer, and that charge transfer effect is not negligible in the interaction of O-H...Pt. The second conclusion is different from the result of Rizzato et al.

  9. Macroscopic irreversibility and microscopic paradox: A Constructal law analysis of atoms as open systems

    Science.gov (United States)

    Lucia, Umberto

    2016-10-01

    The relation between macroscopic irreversibility and microscopic reversibility is a present unsolved problem. Constructal law is introduced to develop analytically the Einstein’s, Schrödinger’s, and Gibbs’ considerations on the interaction between particles and thermal radiation (photons). The result leads to consider the atoms and molecules as open systems in continuous interaction with flows of photons from their surroundings. The consequent result is that, in any atomic transition, the energy related to the microscopic irreversibility is negligible, while when a great number of atoms (of the order of Avogadro’s number) is considered, this energy related to irreversibility becomes so large that its order of magnitude must be taken into account. Consequently, macroscopic irreversibility results related to microscopic irreversibility by flows of photons and amount of atoms involved in the processes.

  10. The international regulation of Informal Value Transfer Systems

    Directory of Open Access Journals (Sweden)

    Anand Ajay Shah

    2007-12-01

    Full Text Available After the 11th September 2001 attacks on the United States international attention quickly focused on the sources and methods of terrorist financing. Among the methods terrorists and other criminal actors use to transfer funds are Informal Value Transfer Systems (IVTS which operate either outside the formal financial sector, or through use of the formal financial sector, but without leaving a full record of the transaction. Though the vast majority of funds moved through IVTS are the earnings of migrant workers and immigrant communities, the lack of uniform worldwide regulation of IVTS provides ample opportunity for abuse and misuse. The international community primarily responded to IVTS concerns through the Financial Action Task Force on Money Laundering, which issued a series of recommendations and best practices for states in regulating IVTS operations. While these recommendations are a secure beginning to regulation of IVTS operating within ethnic communities, they fail to address the more modern forms of IVTS that have come about in the post-Cold War globalised world. Comprehensive recommendations governing all types of IVTS, as well as concerted international cooperation and coordination are necessary to address this global phenomenon.

  11. Dynamics and Thermodynamics of Many Particle Cold Atom Systems

    Science.gov (United States)

    2016-05-05

    of Physics 360, 694-710 (2015). f. Schrieffer-Wolff Transformation for Periodically Driven Systems: Strongly Correlated Systems with Artificial ... Physics , one invited review submitted to Advances in Physics and one review to be shortly submitted to Physics Reports), one paper in Nature and four...papers in Physical Review Letters. There are several more preprints posted on arXiv in 2015, which should be published soon/ Results of this work

  12. Microcontroller-driven fluid-injection system for atomic force microscopy.

    Science.gov (United States)

    Kasas, S; Alonso, L; Jacquet, P; Adamcik, J; Haeberli, C; Dietler, G

    2010-01-01

    We present a programmable microcontroller-driven injection system for the exchange of imaging medium during atomic force microscopy. Using this low-noise system, high-resolution imaging can be performed during this process of injection without disturbance. This latter circumstance was exemplified by the online imaging of conformational changes in DNA molecules during the injection of anticancer drug into the fluid chamber.

  13. A transferable force field for CdS-CdSe-PbS-PbSe solid systems.

    Science.gov (United States)

    Fan, Zhaochuan; Koster, Rik S; Wang, Shuaiwei; Fang, Changming; Yalcin, Anil O; Tichelaar, Frans D; Zandbergen, Henny W; van Huis, Marijn A; Vlugt, Thijs J H

    2014-12-28

    A transferable force field for the PbSe-CdSe solid system using the partially charged rigid ion model has been successfully developed and was used to study the cation exchange in PbSe-CdSe heteronanocrystals [A. O. Yalcin et al., "Atomic resolution monitoring of cation exchange in CdSe-PbSe heteronanocrystals during epitaxial solid-solid-vapor growth," Nano Lett. 14, 3661-3667 (2014)]. In this work, we extend this force field by including another two important binary semiconductors, PbS and CdS, and provide detailed information on the validation of this force field. The parameterization combines Bader charge analysis, empirical fitting, and ab initio energy surface fitting. When compared with experimental data and density functional theory calculations, it is shown that a wide range of physical properties of bulk PbS, PbSe, CdS, CdSe, and their mixed phases can be accurately reproduced using this force field. The choice of functional forms and parameterization strategy is demonstrated to be rational and effective. This transferable force field can be used in various studies on II-VI and IV-VI semiconductor materials consisting of CdS, CdSe, PbS, and PbSe. Here, we demonstrate the applicability of the force field model by molecular dynamics simulations whereby transformations are initiated by cation exchange.

  14. Study on H atoms diffusion and adsorption properties of MgH2-V systems

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Based on experimental results that VH0.81/MgH2 interface was found during the process of mechanically milling MgH2+5at.%V nanocomposite, H atoms diffusion and adsorption properties of MgH2-V systems have been investigated by using a first-principles plane-wave pseudopotential method based on the density functional theory. The results are as follows. When VH/MgH2 interface is formed due to V alloying MgH2 phase, the vacancy formed by H atoms near VH phase region is more stable than that without V alloying, while vacancy near MgH2 phase region is less stable than that without V alloying. During the process of H atoms diffusion after V alloying, the max migration barrier energy of H atoms in MgH2-V systems is reduced compared with that of MgH2 phase, which means that H atoms diffuse easily. When H diffuses into VH from MgH2 across VH/MgH2 interface, among three substitutions such as the replacement of H for V vacancy, or interstitial site or V atoms, the replacement of H for V vacancy has the strongest diffusion ability, next interstitial site, and finally V atoms site. As far as H adsorbed on different surfaces of VH phase is concerned, physical adsorption is carried out more easily than chemical adsorption, and the behavior of H atoms adsorbed on the surface near VH phase region can be found more easily than that near MgH2 phase region.

  15. Study on H atoms diffusion and adsorption properties of MgH2-V systems

    Institute of Scientific and Technical Information of China (English)

    ZHOU DianWu; LIU JinShui; PENG Ping

    2008-01-01

    Based on experimental results that VH0.81/MgH2 interface was found during the process of mechanically milling MgH2+5at.%V nanocomposite,H atoms diffusion and adsorption properties of MgH2-V systems have been investigated by using a first-principles plane-wave pseudopotential method based on the density func-tional theory.The results are as follows.When VH/MgH2 interface is formed due to V alloying MgH2 phase,the vacancy formed by H atoms near VH phase region is more stable than that without V alloying,while vacancy near MgH2 phase region is lessstable than that without V alloying.During the process of H atoms diffusion after V alloying,the max migration barrier energy of H atoms in MgH2-V systems is re-duced compared with that of MgH2 phase,which means that H atoms diffuse easily.When H diffuses into VH from MgH2 across VH/MgH2 interface,among three sub-stitutions such as the replacement of H for V vacancy,or interstitial site or V atoms,the replacement of H for V vacancy has the strongest diffusion ability,next inter-stitial site,and finally V atoms site.As far as H adsorbed on different surfaces of VH phase is concerned,physical adsorption is carried out more easily than chemical adsorption,and the behavior of H atoms adsorbed on the surface near VH phase region can be found more easily than that near MgH2 phase region.

  16. The Transfer of Atoms, Ions and Molecular Groups in Solution. Part 3. Monte Carlo Methods for the Evaluation of Rate Constants.

    Science.gov (United States)

    1983-10-31

    tranal. Sykes and Bell) pp. 342-51 12. J. M. McKinley and P. P. Schmidt, Che. Phys. Letters, submitted. and ref. (4) 13. G. Arfken . Mathematical Methods ...Transfer of Atoms, Ions and Molecular Groups Nf in Solution.III. Monte Carlo methods for the evaluation of rate constants I by P. P. Schmidt Prepared...technical Groups in Solution.poilI. Monte Carlo methods for the evaluation of rate a. PERFORMING ORG. REPORT NUMBER congtant 7, AUTHOR(e) B. CONTRACT Oft

  17. Reactions of the cumyloxyl radical with secondary amides. The influence of steric and stereoelectronic effects on the hydrogen atom transfer reactivity and selectivity.

    Science.gov (United States)

    Salamone, Michela; Basili, Federica; Mele, Riccardo; Cianfanelli, Marco; Bietti, Massimo

    2014-12-19

    A time-resolved kinetic study of the hydrogen atom transfer (HAT) reactions from secondary alkanamides to the cumyloxyl radical was carried out in acetonitrile. HAT predominantly occurs from the N-alkyl α-C-H bonds, and a >60-fold decrease in kH was observed by increasing the steric hindrance of the acyl and N-alkyl groups. The role of steric and stereoelectronic effects on the reactivity and selectivity is discussed in the framework of HAT reactions from peptides.

  18. Kinetic Study of the Reaction of the Phthalimide-N-oxyl Radical with Amides: Structural and Medium Effects on the Hydrogen Atom Transfer Reactivity and Selectivity.

    Science.gov (United States)

    Bietti, Massimo; Forcina, Veronica; Lanzalunga, Osvaldo; Lapi, Andrea; Martin, Teo; Mazzonna, Marco; Salamone, Michela

    2016-12-02

    A kinetic study of the hydrogen atom transfer (HAT) reactions from a series of secondary N-(4-X-benzyl)acetamides and tertiary amides to the phthalimide-N-oxyl radical (PINO) has been carried out. The results indicate that HAT is strongly influenced by structural and medium effects; in particular, the addition of Brønsted and Lewis acids determines a significant deactivation of C-H bonds α to the amide nitrogen of these substrates. Thus, by changing the reaction medium, it is possible to carefully control the regioselectivity of the aerobic oxidation of amides catalyzed by N-hydroxyphthalimide, widening the synthetic versatility of this process.

  19. Facile Preparation of Crosslinked Polymeric Nanocapsules via Combination of Surface-Initiated Atom Transfer Radical Polymerization and Ultraviolet Irradiated Crosslinking Techniques

    Directory of Open Access Journals (Sweden)

    Mu Bin

    2009-01-01

    Full Text Available Abstract A facile approach for the preparation of crosslinked polymeric nanocapsules was developed by the combination of the surface-initiated atom transfer radical polymerization and ultraviolet irradiation crosslinking techniques. The well-defined polystyrene grafted silica nanoparticles were prepared via the SI-ATRP of styrene from functionalized silica nanoparticles. Then the grafted polystyrene chains were crosslinked with ultraviolet irradiation. The cross-linked polystyrene nanocapsules with diameter of 20–50 nm were achieved after the etching of the silica nanoparticle templates with hydrofluoric acid. The strategy developed was confirmed with Fourier transform infrared, thermogravimetric analysis, and transmission electron microscopy.

  20. Evidence for a Precursor Complex in C-H Hydrogen Atom Transfer Reactions Mediated by a Manganese(IV) Oxo Complex

    OpenAIRE

    Garcia Bosch, Isaac; Company Casadevall, Anna; Cady, Clyde W.; Styring, Stenbjörn; Browne, Wesley R; Ribas Salamaña, Xavi; Costas Salgueiro, Miquel

    2011-01-01

    HAT trick: [MnIV(OH)2(H,MePytacn)]2+ (A) and [MnIV(O)(OH)(H,MePytacn)]+ (B) differ in their reactions with CH bonds: compound A engages in typical single-step hydrogen atom transfer (HAT) reactions, whereas B first forms a substrate–B encounter complex (C; see scheme). This equilibrium alters the relative CH reactivity from that expected from CH bond dissociation energies Aquest mateix article està publicat a l'edició alemanya d''Angewandte Chemie' (ISSN 0044-8249, EISSN 1521-3757), 2011, ...

  1. Transfer cask system design activities: status and plan

    Energy Technology Data Exchange (ETDEWEB)

    Locke, D., E-mail: darren.locke@f4e.europa.eu [Fusion for Energy Agency (F4E), Torres Diagonal Litoral B3, Josep Pla 2, 08019 Barcelona (Spain); Gutierrez, C. Gonzalez; Damiani, C.; Gracia, V. [Fusion for Energy Agency (F4E), Torres Diagonal Litoral B3, Josep Pla 2, 08019 Barcelona (Spain); Friconneau, J.-P.; Martins, J.-P.; Blight, J. [ITER Organisation, CS 90 046, 13067St. Paul Lez Durance Cedex (France)

    2011-10-15

    The ITER Cask and Plug Remote Handling System (CPRHS), a.k.a. Transfer Cask System, is a critical element of the ITER Remote Maintenance System (IRMS) devoted to transportation of components between the Tokamak building and Hot Cell. Due to the necessary confinement of contaminated components the CPRHS is defined as Safety Importance Class 1 (SIC-1) plus the mobile nature of the CPRHS brings with it a significant number of complex interfaces with other ITER sub-systems. With a total CPRHS fleet in excess of 20 units, including seven typologies, the management of design and procurement needs to be carefully planned and implemented to ensure compliance with ITER's requirements. Fusion for Energy (F4E) and its beneficiaries/contractors are currently working under ITER Task Agreements (ITAs) on the conceptual design of the CPRHS and, following the signing of the Procurement Arrangement (PA) in mid 2012, will take responsibility for the entire CPRHS fleet. F4E must, therefore, develop a robust strategy to meet the needs of both ITER machine assembly (for which a number of CPRHS units will be utilised) and the remote maintenance of ITER. Within this context this paper will present the status of the current CPRHS design activities, highlight some of the significant issues which will be faced during procurement and present the overall strategy which is being implemented by F4E in order to meet these challenging objectives.

  2. On-Line, Real-Time Diagnostics of a Single Fluid Atomization System

    Science.gov (United States)

    DelshadKhatibi, P.; Ilbagi, A.; Henein, H.

    2012-01-01

    A drop tube-Impulse Atomization technique was used to produce copper droplets. In this method, energy is transferred to a liquid by plunger movement resulting in spherical droplets emanating from orifices. A mathematical model of the evolution of droplet velocity and temperature at various heights for different sized droplets was developed. A two-color pyrometer, DPV-2000, and a shadowgraph were used to measure droplets radiant energy, diameter and velocity. The temperature values from the model were used to assess the two color pyrometer assumption over the temperature range of measurement. The DVP 2000 measurements were found to be dependent of droplet size wavelength and position of droplets below the atomizing nozzle. By calibrating the instrument for effective emissivity over the range of measurements, the thermal history of droplets may be recorded using a single color pyrometer approach.

  3. Generation of molecular diffuse-band stimulated radiation through multiple excitation mechanism in potassium molecule-atom system

    Institute of Scientific and Technical Information of China (English)

    贾锁堂; 秦莉娟; 钱祖良; 王祖赓; 王钢; 周国生

    1997-01-01

    Population reduction effect generated in two-photon resonant excitation process of potassium atoms in a potassium molecule-atom system is theoretically investigated The obtained result is compared with the relevant experimental ones in the process of two-photon resonant excitation of potassium molecules and in the process of two-photon mixed excitation of potassium molecule-atoms.

  4. Methods, systems, and apparatus for storage, transfer and/or control of information via matter wave dynamics

    Science.gov (United States)

    Vestergaard Hau, Lene (Inventor)

    2012-01-01

    Methods, systems and apparatus for generating atomic traps, and for storing, controlling and transferring information between first and second spatially separated phase-coherent objects, or using a single phase-coherent object. For plural objects, both phase-coherent objects have a macroscopic occupation of a particular quantum state by identical bosons or identical BCS-paired fermions. The information may be optical information, and the phase-coherent object(s) may be Bose-Einstein condensates, superfluids, or superconductors. The information is stored in the first phase-coherent object at a first storage time and recovered from the second phase-coherent object, or the same first phase-coherent object, at a second revival time. In one example, an integrated silicon wafer-based optical buffer includes an electrolytic atom source to provide the phase-coherent object(s), a nanoscale atomic trap for the phase-coherent object(s), and semiconductor-based optical sources to cool the phase-coherent object(s) and provide coupling fields for storage and transfer of optical information.

  5. Antioxidant activities of [60]fullerene derivatives from chalcone, flavone and flavanone: A ONIOM approach via H-atom and electron transfer mechanism

    Science.gov (United States)

    Thong, Nguyen Minh; Dao, Duy Quang; Ngo, Thi Chinh; Huyen, Trinh Le; Nam, Pham Cam

    2016-05-01

    Antioxidant properties of C60 flavonoid conjugates were computationally examined via their O-H bond dissociation enthalpies (BDEs) and ionization energies (IEs) using two-layer ONIOM and PM6 methods, respectively. Eight ONIOM((RO)B3LYP/6-311++G(2df,2p):PM6) models were evaluated by computing BDE(O-H)s of a series of polyphenol. Synthetic mechanism of C60 flavonoid conjugates was also explored via the potential energy surfaces of reaction between C60 and malonate flavonoid derivatives (chalcone, flavone and flavanone) at the B3LYP/6-31G(d)//PM6. Antioxidant activities of C60 flavonoid conjugates were discussed via hydrogen atom transfer, single electron transfer mechanisms and the effect of C60 on the BDE(O-H)s and IEs of these compounds.

  6. Using a quantum dot system to realize perfect state transfer

    Institute of Scientific and Technical Information of China (English)

    Li Ji; Wu Shi-Hai; Zhang Wen-Wen; Xi Xiao-Qiang

    2011-01-01

    There are some disadvantages to Nikolopoulos et al.'s protocol [Nikolopoulos G M,Petrosyan D and Lambropoulos P 2004 Europhys.Lett.65 297] where a quantum dot system is used to realize quantum communication.To overcome these disadvantages,we propose a protocol that uses a quantum dot array to construct a four-qubit spin chain to realize perfect quantum state transfer (PQST).First,we calculate the interaction relation for PQST in the spin chain.Second,we review the interaction between the quantum dots in the Heitler-London approach.Third,we present a detailed program for designing the proper parameters of a quantum dot array to realize PQST.

  7. Scheme to transfer an atomic entangled state in cavity QED%一个传送原子纠缠态的新方案

    Institute of Scientific and Technical Information of China (English)

    吴韬; 叶柳; 倪致祥

    2007-01-01

    We present a scheme for transferring an unknown atomic entangled state via atom-cavity field interaction. This proposal , which has success probability of unit , is mainly employing two atoms for receiving the teleported state, and a two- mode cavity as the quantum channel. The two modes of the cavity have different frequencies and polarizations. So the two modes are distinguished by their frequencies and their orthogonal polarizations, hence they occupy distinct regions in the cavity. The atom interacts resonantly with the mode of the cavity according to the Jaynes-Cummings Hamiltonian, and when interaction between the atom and one of-the two modes takes place, the other mode remains unaffected. This scheme does not require Bell-state measurement and any operations to reconstruct the initial state. This scheme can also be extended to transfer entangled state of N-atom.%本文提出一个通过原子和腔场相互作用传送未知原子纠缠态的新方案,并且成功概率为100%.在这个方案里,我们主要利用两个原子用来接受被传送的原子纠缠态以及一个双模腔作为量子通道.由于腔场的两个模具有不同的频率和正交极化,因此这两个模能够被区分,并且处于腔场的不同区域.原子和腔场通过J-C哈密顿量发生共振相互作用,当原子和其中一个模相互作用时,另外一个模不受影响.该方案既不需要贝尔态测量,也不需要任何操作重构纠缠初态.这个方案也可以推广到传送N个原子的纠缠态.

  8. Upper Secondary Students' Understanding of the Basic Physical Interactions in Analogous Atomic and Solar Systems

    Science.gov (United States)

    Taber, Keith S.

    2013-01-01

    Comparing the atom to a "tiny solar system" is a common teaching analogy, and the extent to which learners saw the systems as analogous was investigated. English upper secondary students were asked parallel questions about the physical interactions between the components of a simple atomic system and a simple solar system to investigate…

  9. Metal-Free Hydrogen Atom Transfer from Water: Expeditious Hydrogenation of N-Heterocycles Mediated by Diboronic Acid.

    Science.gov (United States)

    Xia, Yun-Tao; Sun, Xiao-Tao; Zhang, Ling; Luo, Kai; Wu, Lei

    2016-11-21

    A hydrogenation of N-heterocycles mediated by diboronic acid with water as the hydrogen atom source is reported. A variety of N-heterocycles can be hydrogenated with medium to excellent yields within 10 min. Complete deuterium incorporation from stoichiometric D2 O onto substrates further exemplifies the H/D atom sources. Mechanism studies reveal that the reduction proceeds with initial 1,2-addition, in which diboronic acid synergistically activates substrates and water via a six-membered ring transition state.

  10. Applications of quantum and classical connections in modeling atomic, molecular and electrodynamic systems

    CERN Document Server

    Popa, Alexandru

    2013-01-01

    Applications of Quantum and Classical Connections in Modeling Atomic, Molecular and Electrodynamical Systems is a reference on the new field of relativistic optics, examining topics related to relativistic interactions between very intense laser beams and particles. Based on 30 years of research, this unique book connects the properties of quantum equations to corresponding classical equations used to calculate the energetic values and the symmetry properties of atomic, molecular and electrodynamical systems. In addition, it examines applications for these methods, and for the calculation of

  11. Combined laser and atomic force microscope lithography on aluminum: Mask fabrication for nanoelectromechanical systems

    DEFF Research Database (Denmark)

    Berini, Abadal Gabriel; Boisen, Anja; Davis, Zachary James;

    1999-01-01

    A direct-write laser system and an atomic force microscope (AFM) are combined to modify thin layers of aluminum on an oxidized silicon substrate, in order to fabricate conducting and robust etch masks with submicron features. These masks are very well suited for the production of nanoelectromecha......A direct-write laser system and an atomic force microscope (AFM) are combined to modify thin layers of aluminum on an oxidized silicon substrate, in order to fabricate conducting and robust etch masks with submicron features. These masks are very well suited for the production...

  12. New high temperature plasmas and sample introduction systems for analytical atomic emission and mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Montaser, A.

    1992-01-01

    New high temperature plasmas and new sample introduction systems are explored for rapid elemental and isotopic analysis of gases, solutions, and solids using mass spectrometry and atomic emission spectrometry. Emphasis was placed on atmospheric pressure He inductively coupled plasmas (ICP) suitable for atomization, excitation, and ionization of elements; simulation and computer modeling of plasma sources with potential for use in spectrochemical analysis; spectroscopic imaging and diagnostic studies of high temperature plasmas, particularly He ICP discharges; and development of new, low-cost sample introduction systems, and examination of techniques for probing the aerosols over a wide range. Refs., 14 figs. (DLC)

  13. Two-photon phase gate with linear optical elements and atom-cavity system

    Science.gov (United States)

    Kang, Yi-Hao; Xia, Yan; Lu, Pei-Min

    2016-09-01

    We propose a protocol for implementing π phase gate of two photons with linear optical elements and an atom-cavity system. The evolution of the atom-cavity system is based on the quantum Zeno dynamics. The devices in the present protocol are simple and feasible with current experimental technology. Moreover, the method we proposed here is deterministic with a high fidelity. Numerical simulation shows that the evolution in cavity is efficient and robust. Therefore, the protocol may be helpful for quantum computation field.

  14. Secure Data Transfer Guidance for Industrial Control and SCADA Systems

    Energy Technology Data Exchange (ETDEWEB)

    Mahan, Robert E.; Fluckiger, Jerry D.; Clements, Samuel L.; Tews, Cody W.; Burnette, John R.; Goranson, Craig A.; Kirkham, Harold

    2011-09-01

    This document was developed to provide guidance for the implementation of secure data transfer in a complex computational infrastructure representative of the electric power and oil and natural gas enterprises and the control systems they implement. For the past 20 years the cyber security community has focused on preventative measures intended to keep systems secure by providing a hard outer shell that is difficult to penetrate. Over time, the hard exterior, soft interior focus changed to focus on defense-in-depth adding multiple layers of protection, introducing intrusion detection systems, more effective incident response and cleanup, and many other security measures. Despite much larger expenditures and more layers of defense, successful attacks have only increased in number and severity. Consequently, it is time to re-focus the conventional approach to cyber security. While it is still important to implement measures to keep intruders out, a new protection paradigm is warranted that is aimed at discovering attempted or real compromises as early as possible. Put simply, organizations should take as fact that they have been, are now, or will be compromised. These compromises may be intended to steal information for financial gain as in the theft of intellectual property or credentials that lead to the theft of financial resources, or to lie silent until instructed to cause physical or electronic damage and/or denial of services. This change in outlook has been recently confirmed by the National Security Agency [19]. The discovery of attempted and actual compromises requires an increased focus on monitoring events by manual and/or automated log monitoring, detecting unauthorized changes to a system's hardware and/or software, detecting intrusions, and/or discovering the exfiltration of sensitive information and/or attempts to send inappropriate commands to ICS/SCADA (Industrial Control System/Supervisory Control And Data Acquisition) systems.

  15. Universal quantum gates for photon-atom hybrid systems assisted by bad cavities.

    Science.gov (United States)

    Wang, Guan-Yu; Liu, Qian; Wei, Hai-Rui; Li, Tao; Ai, Qing; Deng, Fu-Guo

    2016-01-01

    We present two deterministic schemes for constructing a CNOT gate and a Toffoli gate on photon-atom and photon-atom-atom hybrid quantum systems assisted by bad cavities, respectively. They are achieved by cavity-assisted photon scattering and work in the intermediate coupling region with bad cavities, which relaxes the difficulty of their implementation in experiment. Also, bad cavities are feasible for fast quantum operations and reading out information. Compared with previous works, our schemes do not need any auxiliary qubits and measurements. Moreover, the schematic setups for these gates are simple, especially that for our Toffoli gate as only a quarter wave packet is used to interact the photon with each of the atoms every time. These atom-cavity systems can be used as the quantum nodes in long-distance quantum communication as their relatively long coherence time is suitable for multi-time operations between the photon and the system. Our calculations show that the average fidelities and efficiencies of our two universal hybrid quantum gates are high with current experimental technology.

  16. Electronic structure interpolation via atomic orbitals.

    Science.gov (United States)

    Chen, Mohan; Guo, G-C; He, Lixin

    2011-08-17

    We present an efficient scheme for accurate electronic structure interpolation based on systematically improvable optimized atomic orbitals. The atomic orbitals are generated by minimizing the spillage value between the atomic basis calculations and the converged plane wave basis calculations on some coarse k-point grid. They are then used to calculate the band structure of the full Brillouin zone using the linear combination of atomic orbitals algorithms. We find that usually 16-25 orbitals per atom can give an accuracy of about 10 meV compared to the full ab initio calculations, and the accuracy can be systematically improved by using more atomic orbitals. The scheme is easy to implement and robust, and works equally well for metallic systems and systems with complicated band structures. Furthermore, the atomic orbitals have much better transferability than Shirley's basis and Wannier functions, which is very useful for perturbation calculations.

  17. Theoretical analysis of the spectroscopy of atomic Bose-Hubbard systems

    Science.gov (United States)

    Inaba, Kensuke; Yamashita, Makoto

    2016-04-01

    We provide a numerical method to calculate comprehensively the microwave and the laser spectra of ultracold bosonic atoms in optical lattices at finite temperatures. Our formulation is built up with the sum rules, up to the second order, derived from the general principle of spectroscopy. The sum rule approach allows us to discuss the physical origins of a spectral peak shift and also a peak broadening. We find that a spectral broadening of superfluid atoms can be determined from number fluctuations of atoms, while that of normal-state atoms is mainly attributed to quantum fluctuations resulting from hopping of atoms. To calculate spectra at finite temperatures, based on the sum rule approach, we provide a two-mode approximation assuming that spectra of the superfluid and normal state atoms can be calculated separately. Our method can properly deal with multipeak structures of spectra resulting from thermal fluctuations and also coexisting of the superfluid and the normal states. By combining the two-mode approximation with a finite temperature Gutzwiller approximation, we calculate spectra at finite temperatures by considering realistic systems, and the calculated spectra show nice agreements with those in experiments.

  18. Atomic entanglement and decoherence

    Science.gov (United States)

    Genes, Claudiu

    The generation of entanglement in atomic systems plays a central topic in the fields of quantum information storage and processing. Moreover, a special category of entangled states of multi-atom ensembles, spin squeezed states, have been proven to lead to considerable improvement in the sensitivity of precision measurements compared to systems involving uncorrelated atoms. A treatment of entanglement in open systems is, however, incomplete without a precise description of the process of decoherence which necessarily accompanies it. The theory of entanglement and decoherence are the two main topics of this thesis. Methods are described for the generation of strong correlations in large atomic ensembles using either cavity quantum electrodynamics or measurement outcome conditioned quantum dynamics. Moreover, the description of loss of entanglement resulting from the coupling to a noise reservoir (electromagnetic vacuum) is explored. A spin squeezing parameter is used throughout this thesis as both a measure of entanglement strength and as an indication of the sensitivity improvement above the so-called standard quantum limit (sensitivity obtained with uncorrelated particles) in metrology. The first scheme considered consists of a single mode cavity field interacting with a collection of atoms for which spin squeezing is produced in both resonant and off-resonant regimes. In the resonant case, transfer of squeezing from a field state to the atoms is analyzed, while in the off-resonant regime squeezing is produced via an effective nonlinear interaction (one-axis twisting Hamiltonian). A second, more experimentally realistic case, is one involving the interaction of free space atoms with laser pulses; a projective measurement of a source field originating from atomic fluctuations provides a means of preparing atomic collective states such as spin squeezed and Schrodinger cat states. A new "unravelling" is proposed, that employs the detection of photon number in a single

  19. Optical Power Transfer System for Powering a Remote Mobility System for Multiple Missions

    Science.gov (United States)

    Stone, William C. (Inventor); Hogan, Bartholomew P. (Inventor)

    2016-01-01

    An optical power transfer system for powering a remote mobility system for multiple missions comprising a high power source and a chilling station connected to a laser source. The laser source transmits a high optical energy to a beam switch assembly via an optical fiber. The beam switch assembly is optically connected to actively cooled fiber spoolers. Docking stations are adapted for securing the fiber spoolers until alternatively ready for use by a remote mobility system. The remote mobility system is optically connected to the fiber spoolers and has a receiving port adapted for securing the fiber spoolers thereon. The fiber spooler transmits the optical energy to a power conversion system which converts the optical energy received to another usable form of energy. More than one power source may be used where the remote mobility system transfers from one source to another while maintaining an operational radius to each source.

  20. INTRODUCTION: Many-Body Theory of Atomic Systems: Proceedings of the Nobel Symposium 46

    Science.gov (United States)

    Lindgren, Ingvar; Lundqvist, Stig

    1980-01-01

    A Nobel Symposium provides an excellent opportunity to bring together a group of prominent scientists for a stimulating meeting. The Nobel Symposia are very small meetings by invitation only and the number of key participants is usually in the range 20-40. These symposia are organized through a special Nobel Symposium Committee after proposals from individuals. They have been made possible through a major grant from the Tri-Centennial Fund of the Bank of Sweden. Our first ideas to arrange a Nobel Symposium on many-body theory of atomic systems came up more than two years ago. It was quite obvious to us that a major break-through was happening in this field. Very accurate schemes have been available for some time for studying the static properties of small closed-shell atomic systems. By "atomic" systems we understand here atoms as well as free molecules, which can be treated by the same formalism, although the technical approaches might be quite different. The conceptual and computational developments in recent years, however, have made it possible to apply the many-body formalism also to heavier systems. Although no rigorous relativistic many-body theory yet exists, there seems to be a general agreement about the way relativistic calculations should be performed on normal atoms and molecules. Schemes based on relativistic perturbation theory as well as on relativistic multi- configurational Hartree-Fock are now in operation and a rapid development is expected in this area. Another field of atomic theory, where significant progress has been made recently, is in the application of many-body formalism to open-shell systems. General schemes, applicable to systems with one or several open shells, are now available, which will make it possible to apply many-body formalism to a much larger group of atomic systems and, in particular, to systems of more physical interest, A number of atomic properties - not only the correlation energy - can then be compared with the

  1. High-performance laser power feedback control system for cold atom physics

    Institute of Scientific and Technical Information of China (English)

    Bo Lu; Thibault Vogt; Xinxing Liu; Xiaoji Zhou; Xuzong Chen

    2011-01-01

    @@ A laser power feedback control system that features fast response,large-scale performance,low noise,and excellent stability is presented.Some essential points used for optimization are described.Primary optical lattice experiments are given as examples to show the performance of this system.With these performance characteristics,the power control system is useful for applications in cold atom physics and precision measurements.%A laser power feedback control system that features fast response, large-scale performance, low noise, and excellent stability is presented. Some essential points used for optimization are described. Primary optical lattice experiments are given as examples to show the performance of this system. With these performance characteristics, the power control system is useful for applications in cold atom physics and precision measurements.

  2. Quantum Monte Carlo of atomic and molecular systems with heavy elements

    Science.gov (United States)

    Mitas, Lubos; Kulahlioglu, Adem; Melton, Cody; Bennett, Chandler

    2015-03-01

    We carry out quantum Monte Carlo calculations of atomic and molecular systems with several heavy atoms such as Mo, W and Bi. In particular, we compare the correlation energies vs their lighter counterparts in the same column of the periodic table in order to reveal trends with regard to the atomic number Z. One of the observations is that the correlation energy for the isoelectronic valence space/states is mildly decreasing with increasing Z. Similar observation applies also to the fixed-node errors, supporting thus our recent observation that the fixed-node error increases with electronic density for the same (or similar) complexity of the wave function and bonding. In addition, for Bi systems we study the impact of the spin-orbit on the electronic structure, in particular, on binding, correlation and excitation energies.

  3. Upper Secondary Students' Understanding of the Basic Physical Interactions in Analogous Atomic and Solar Systems

    Science.gov (United States)

    Taber, Keith S.

    2013-08-01

    Comparing the atom to a `tiny solar system' is a common teaching analogy, and the extent to which learners saw the systems as analogous was investigated. English upper secondary students were asked parallel questions about the physical interactions between the components of a simple atomic system and a simple solar system to investigate how they understood the forces acting within the two systems. A sample of just over 100 across the 15-18 age range responded to a pencil-and-paper instrument that asked about four aspects of the two systems. It was found that for both systems, about four fifths of students expected forces to decrease with increasing distance; but that only a little over half expected there to be interactions between the minor constituents (electrons and planets). Most students failed to apply Newton's third law to either system. There was a considerable difference in the extent to which respondents were able to identify the type of force acting in the systems (nearly all for the solar system, but only a small proportion in the case of the atom). The findings are considered in terms of both the limitations of students' understanding of the basic physics and possible implications for the use of the teaching analogy.

  4. Electron transfer and atom exchange between aqueous Fe(II) and structural Fe(III) in clays. Role in U and Hg(II) transformations

    Energy Technology Data Exchange (ETDEWEB)

    Scherer, Michelle [Univ. of Iowa, Iowa City, IA (United States)

    2016-08-31

    During this project, we investigated Fe electron transfer and atom exchange between aqueous Fe(II) and structural Fe(III) in clay minerals. We used selective chemical extractions, enriched Fe isotope tracer experiments, computational molecular modeling, and Mössbauer spectroscopy. Our findings indicate that structural Fe(III) in clay minerals is reduced by aqueous Fe(II) and that electron transfer occurs when Fe(II) is sorbed to either basal planes and edge OH-groups of clay mineral. Findings from highly enriched isotope experiments suggest that up to 30 % of the Fe atoms in the structure of some clay minerals exhanges with aqueous Fe(II). First principles calculations using a small polaron hopping approach suggest surprisingly fast electron mobility at room temperature in a nontronite clay mineral and are consistent with temperature dependent Mössbauer data Fast electron mobility suggests that electrons may be able to conduct through the mineral fast enough to enable exchange of Fe between the aqueous phase and clay mineral structure. over the time periods we observed. Our findings suggest that Fe in clay minerals is not as stable as previously thought.

  5. Quantum dynamics of hydrogen atoms on graphene. I. System-bath modeling

    Energy Technology Data Exchange (ETDEWEB)

    Bonfanti, Matteo, E-mail: matteo.bonfanti@unimi.it [Dipartimento di Chimica, Università degli Studi di Milano, v. Golgi 19, 20133 Milano (Italy); Jackson, Bret [Department of Chemistry, University of Massachusetts, Amherst, Massachusetts 01003 (United States); Hughes, Keith H. [School of Chemistry, Bangor University, Bangor, Gwynedd LL57 2UW (United Kingdom); Burghardt, Irene [Institute of Physical and Theoretical Chemistry, Goethe University Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt/Main (Germany); Martinazzo, Rocco, E-mail: rocco.martinazzo@unimi.it [Dipartimento di Chimica, Università degli Studi di Milano, v. Golgi 19, 20133 Milano (Italy); Istituto di Scienze e Tecnologie Molecolari, Consiglio Nazionale delle Richerche, v. Golgi 19, 20133 Milano (Italy)

    2015-09-28

    An accurate system-bath model to investigate the quantum dynamics of hydrogen atoms chemisorbed on graphene is presented. The system comprises a hydrogen atom and the carbon atom from graphene that forms the covalent bond, and it is described by a previously developed 4D potential energy surface based on density functional theory ab initio data. The bath describes the rest of the carbon lattice and is obtained from an empirical force field through inversion of a classical equilibrium correlation function describing the hydrogen motion. By construction, model building easily accommodates improvements coming from the use of higher level electronic structure theory for the system. Further, it is well suited to a determination of the system-environment coupling by means of ab initio molecular dynamics. This paper details the system-bath modeling and shows its application to the quantum dynamics of vibrational relaxation of a chemisorbed hydrogen atom, which is here investigated at T = 0 K with the help of the multi-configuration time-dependent Hartree method. Paper II deals with the sticking dynamics.

  6. Quantum memory effects in noninteracting cold-atom systems: Hysteresis loop and lattice transformation

    Science.gov (United States)

    Chien, Chihchun; Metcalf, Mekena; Lai, Chenyen

    2016-05-01

    Memory effects are observable in magnetization, rechargeable batteries, and many systems exhibiting history-dependent states. Quantum memory effects are observable, for instance, in atomic superfluids. A counter-intuitive question is whether quantum memory effects can exist in noninteracting systems. Here we present two examples of cold-atom systems demonstrating memory effects in noninteracting systems. The first example is a ring-shaped potential loaded with noninteracting fermions. An artificial vector potential drives a current and with a tunable dissipative background, the current lags behind the driving and exhibits hysteresis loops. The dissipative energy can be controlled by the coupling between the fermions and the background. In the second example, cold atoms loaded in a tunable optical lattice transformed from the triangular to the kagome geometry. The kagome lattice supports a flat-band consisting of degenerate localized states. Quantum memory effects are observable after a lattice transformation as the steady-state density depends on the rate of the transformation. The versatility of memory effects in cold-atom systems promises novel applications in atomtronics.

  7. Configurable memory system and method for providing atomic counting operations in a memory device

    Science.gov (United States)

    Bellofatto, Ralph E.; Gara, Alan G.; Giampapa, Mark E.; Ohmacht, Martin

    2010-09-14

    A memory system and method for providing atomic memory-based counter operations to operating systems and applications that make most efficient use of counter-backing memory and virtual and physical address space, while simplifying operating system memory management, and enabling the counter-backing memory to be used for purposes other than counter-backing storage when desired. The encoding and address decoding enabled by the invention provides all this functionality through a combination of software and hardware.

  8. Entanglement Transfer via Heisenberg Interaction in a Four-Qubit System

    Institute of Scientific and Technical Information of China (English)

    REN Feng-Hua; WANG Zhao-Ming

    2007-01-01

    We investigate the entanglement transfer in a four-qubit system and calculate the concurrence between any two qubits in different initial states.We show that both the pure entangled state and mixed entangled state can be transferred.For some special coupling constants and some evolution time,entanglement can be completely transferred from one pair particles to another.

  9. High-performance liquid chromatographic method to evaluate the hydrogen atom transfer during reaction between 1,1-diphenyl-2-picryl-hydrazyl radical and antioxidants

    Energy Technology Data Exchange (ETDEWEB)

    Boudier, Ariane; Tournebize, Juliana [CITHEFOR - EA 3452, Faculte de Pharmacie, Nancy-Universite, 5 Rue Albert Lebrun, BP 80403, 54001 Nancy Cedex (France); Bartosz, Grzegorz [Department of Molecular Biophysics, University of Lodz, Lodz (Poland); El Hani, Safae; Bengueddour, Rachid [Laboratoire de Nutrition et Sante, Biology Department, Faculty of Sciences, Ibn Tofail University, Kenitra (Morocco); Sapin-Minet, Anne [CITHEFOR - EA 3452, Faculte de Pharmacie, Nancy-Universite, 5 Rue Albert Lebrun, BP 80403, 54001 Nancy Cedex (France); Leroy, Pierre, E-mail: pierre.leroy@pharma.uhp-nancy.fr [CITHEFOR - EA 3452, Faculte de Pharmacie, Nancy-Universite, 5 Rue Albert Lebrun, BP 80403, 54001 Nancy Cedex (France)

    2012-01-20

    Highlights: Black-Right-Pointing-Pointer Both 1,1-diphenyl-2-picrylhydrazyl radical and its product measurement by HPLC. Black-Right-Pointing-Pointer Lowest limit of detection by monitoring 1,1-diphenyl-2-picryl-hydrazine. Black-Right-Pointing-Pointer Adsorption problem of the radical on HPLC parts have been pointed out. - Abstract: 1,1-Diphenyl-2-picrylhydrazyl (DPPH{center_dot}) is a stable nitrogen centred radical widely used to evaluate direct radical scavenging properties of various synthetic or natural antioxidants (AOs). The bleaching rate of DPPH{center_dot} absorbance at 515 nm is usually monitored for this purpose. In order to avoid the interference of complex coloured natural products used as antioxidant supplements or cosmetics, HPLC systems have been reported as alternative techniques to spectrophotometry. They also rely upon measurement of DPPH{center_dot} quenching rate and none of them permits to identify and measure 1,1-diphenyl-2-picryl-hydrazine (DPPH-H), the reduced product of DPPH{center_dot} resulting from hydrogen atom transfer (HAT), which is the main mechanism of the reaction between DPPH{center_dot} and AOs. We presently report an HPLC method devoted to the simultaneous measurement of DPPH{center_dot} and DPPH-H. Both were fully separated on a C18 column eluted with acetonitrile-10 mM ammonium citrate buffer pH 6.8 (70:30, v/v) and detected at 330 nm. Adsorption process of DPPH{center_dot} onto materials of the HPLC system was pointed out. Consequently, the linearity range observed for DPPH{center_dot} was restricted, thus a much lower limit of detection was obtained for DPPH-H than for DPPH{center_dot} using standards (0.02 and 14 {mu}M, respectively). The method was applied to three commonly used AOs, i.e. Trolox{sup Registered-Sign }, ascorbic acid and GSH, and compared with spectrophotometry. Further application to complex matrices (cell culture media, vegetal extracts) and nanomaterials demonstrated (i) its usefulness because of

  10. The Langevin and generalised Langevin approach to the dynamics of atomic, polymeric and colloidal systems

    CERN Document Server

    Snook, Ian

    2007-01-01

    The Langevin and Generalised Langevin Approach To The Dynamics Of Atomic, Polymeric And Colloidal Systems is concerned with the description of aspects of the theory and use of so-called random processes to describe the properties of atomic, polymeric and colloidal systems in terms of the dynamics of the particles in the system. It provides derivations of the basic equations, the development of numerical schemes to solve them on computers and gives illustrations of application to typical systems.Extensive appendices are given to enable the reader to carry out computations to illustrate many of the points made in the main body of the book.* Starts from fundamental equations* Gives up-to-date illustration of the application of these techniques to typical systems of interest* Contains extensive appendices including derivations, equations to be used in practice and elementary computer codes

  11. Observation of Electromagnetically Induced Transparency in a Zeeman-Sublevel System in Rubidium Atomic Vapour

    Institute of Scientific and Technical Information of China (English)

    肖峰; 郭瑞民; 陈帅; 张宇; 李路明; 陈徐宗

    2003-01-01

    We observed electromagnetically induced transparency (EIT) in a Zeeman-sublevel system using rubidium atomic vapour at the temperature of 75℃, in which the width of the EIT signal is only 0.6 MHz. Two different methods were performed to observe the EIT signal in our experiment.

  12. Numerical Studies of Collective Phenomena in Two-Dimensional Electron and Cold Atom Systems

    Energy Technology Data Exchange (ETDEWEB)

    Rezayi, Edward

    2013-07-25

    Numerical calculations were carried out to investigate a number of outstanding questions in both two-dimensional electron and cold atom systems. These projects aimed to increase our understanding of the properties of and prospects for non-Abelian states in quantum Hall matter.

  13. Electromagnetically-induced transparency in a multi-V-type system in cesium atomic vapour

    Institute of Scientific and Technical Information of China (English)

    赵建明; 尹王保; 汪丽蓉; 肖连团; 贾锁堂

    2002-01-01

    Electromagnetically-induced transparency is observed in a three-level multi-V-type system in cesium vapour atroom temperature. The absorption property is measured and the hyperfine structures of atomic states can be determined.The results of the experiment agree with the theoretical analysis.

  14. Miniature Bose-Einstein condensate system design based on a transparent atom chip

    Science.gov (United States)

    Cheng, Jun; Li, Xiaolin; Zhang, Jingfang; Xu, Xinping; Jiang, Xiaojun; Zhang, Haichao; Wang, Yuzhu

    2016-08-01

    We propose a new miniature Bose-Einstein condensate (BEC) system based on a transparent atom chip with a compact external coil structure. A standard six-beam macroscopic magneto-optical trap (MOT) is able to be created near the chip surface due to the chip’s transparency. A novel wire pattern consisting of a double-z wire and a z-shaped wire is designed on the transparent atom chip. With a vertical bias magnetic field, the double-z wire can create the quadrupole magnetic field of an intermediate chip MOT, which is suitable for transporting atoms from the macroscopic MOT to the chip z-wire trap efficiently. The compact external coil structure is designed with a rectangular frameless geometry consisting of only four coil pairs and its volume is less than 0.3 liters. The maximum system power consumption during the BEC generation procedure is about 45 W. The miniature system is evaluated, and about 3 × 106 atoms can be loaded into the chip z-wire trap. The miniature chip BEC system has the advantages of small volume and low power consumption, and it has great potential for practical applications of BEC.

  15. Entanglement in a system of two two-level atoms interacting with a single-mode field

    Institute of Scientific and Technical Information of China (English)

    Jin Li-Juan; Fang Mao-Fa

    2006-01-01

    We investigate the entanglement in a system of two coupling atoms interacting with a single-mode field by means of quantum information entropy theory. The quantum entanglement between the two atoms and the coherent field is discussed by using the quantum reduced entropy, and the entanglement between the two coupling atoms is also investigated by using the quantum relative entropy. In addition, the influences of the atomic dipole-dipole interaction intensity and the average photon number of the coherent field on the degree of the entanglement is examined. The results show that the evolution of the degree of entanglement between the two atoms and the field is just opposite to that of the degree of entanglement between the two atoms. And the properties of the quantum entanglement in the system rely on the atomic dipole-dipole interaction and the average photon number of the coherent field.

  16. Atom-photon entanglement in the system with competing k-photon and l-photon transitions

    Institute of Scientific and Technical Information of China (English)

    Wu Qin; Fang Mao-Fa; Hu Yao-Hua

    2007-01-01

    We have investigated the evolution of the atomic quantum entropy and the entanglement of atom-photon in the system with competing k-photon and l-photon transitions by means of fully quantum theory, and examined the effects of competing photon numbers (k and l), the relative coupling strength between the atom and the two-mode field(λ/g),and the initial photon number of the field on the atomic quantum entropy and the entanglement of atom-photon.The results show that the multiphoton competing transitions or the large relative coupling strength can lead to the strong entanglement between atoms and photons. The maximal atom-photon entanglement can be prepared via the appropriate selection of system parameters and interaction time.

  17. Highly regioselective hydride transfer, oxidative dehydrogenation, and hydrogen-atom abstraction in the thermal gas-phase chemistry of [Zn(OH)](+)/C3H8.

    Science.gov (United States)

    Wu, Xiao-Nan; Zhao, Hai-Tao; Li, Jilai; Schlangen, Maria; Schwarz, Helmut

    2014-12-28

    The thermal reactions of [Zn(OH)](+) with C3H8 have been studied by means of gas-phase experiments and computational investigation. Two types of C-H bond activation are observed in the experiment, and pertinent mechanistic features include inter alia: (i) the metal center of [Zn(OH)](+) serves as active site in the hydride transfer to generate [i-C3H7](+) as major product, (ii) generally, a high regioselectivity is accompanied by remarkable chemoselectivity: for example, the activation of a methyl C-H bond results mainly in the formation of water and [Zn(C3,H7)](+). According to computational work, this ionic product corresponds to [HZn(CH3CH=CH2)](+). Attack of the zinc center at a secondary C-H bond leads preferentially to hydride transfer, thus giving rise to the generation of [i-C3H7](+); (iii) upon oxidative dehydrogenation (ODH), liberation of CH3CH2=CH2 occurs to produce [HZn(H2O)](+). Both, ODH as well as H2O loss proceed through the same intermediate which is characterized by the fact that a methylene hydrogen atom from the substrate is transferred to the zinc and one hydrogen atom from the methyl group to the OH group of [Zn(OH)](+). The combined experimental/computational gas-phase study of C-H bond activation by zinc hydroxide provides mechanistic insight into related zinc-catalyzed large-scale processes and identifies the crucial role that the Lewis-acid character of zinc plays.

  18. Application of Lattice Boltzmann Methods in Complex Mass Transfer Systems

    Science.gov (United States)

    Sun, Ning

    Lattice Boltzmann Method (LBM) is a novel computational fluid dynamics method that can easily handle complex and dynamic boundaries, couple local or interfacial interactions/reactions, and be easily parallelized allowing for simulation of large systems. While most of the current studies in LBM mainly focus on fluid dynamics, however, the inherent power of this method makes it an ideal candidate for the study of mass transfer systems involving complex/dynamic microstructures and local reactions. In this thesis, LBM is introduced to be an alternative computational method for the study of electrochemical energy storage systems (Li-ion batteries (LIBs) and electric double layer capacitors (EDLCs)) and transdermal drug design on mesoscopic scale. Based on traditional LBM, the following in-depth studies have been carried out: (1) For EDLCs, the simulation of diffuse charge dynamics is carried out for both the charge and the discharge processes on 2D systems of complex random electrode geometries (pure random, random spheres and random fibers). Steric effect of concentrated solutions is considered by using modified Poisson-Nernst-Plank (MPNP) equations and compared with regular Poisson-Nernst-Plank (PNP) systems. The effects of electrode microstructures (electrode density, electrode filler morphology, filler size, etc.) on the net charge distribution and charge/discharge time are studied in detail. The influence of applied potential during discharging process is also discussed. (2) For the study of dendrite formation on the anode of LIBs, it is shown that the Lattice Boltzmann model can capture all the experimentally observed features of microstructure evolution at the anode, from smooth to mossy to dendritic. The mechanism of dendrite formation process in mesoscopic scale is discussed in detail and compared with the traditional Sand's time theories. It shows that dendrite formation is closely related to the inhomogeneous reactively at the electrode-electrolyte interface

  19. Magnetic-field-mediated coupling and control in hybrid atomic-nanomechanical systems

    CERN Document Server

    Tretiakov, A

    2016-01-01

    Magnetically coupled hybrid quantum systems enable robust quantum state control through Landau-Zener transitions. Here, we show that an ultracold atomic sample coupled to a nanomechanical resonator via oscillating magnetic fields can be used to cool the resonator's mechanical motion, to measure the mechanical temperature, and to enable entanglement of these mesoscopic objects. We calculate the expected coupling for both permanent-magnet and current-conducting nanostring resonators and describe how this hybridization is attainable using recently developed fabrication techniques, including SiN nanostrings and atom chips.

  20. Absorption-Dispersion Properties in a Four-Level Atomic System with Vacuum-Induced Coherence

    Institute of Scientific and Technical Information of China (English)

    WEI Hua; LI Jia-Hua; ZHAN Zhi-Ming; PENG Ju-Cun

    2005-01-01

    We discuss and analyze absorption-dispersion response for the probe field in a typical four-level atomic system with vacuum-induced coherence (VIC) arising from the cross coupling pathways associated with a pair of upper excited hyperfine levels. We find that VIC effect can preserve electromagnetically induced transparency (EIT) by using the detailed numerical simulations based on the density-matrix equations and analytical calculations in the dressed-state picture. We also show that the atomic hyperfine structure cannot be a hindrance to obtaining EIT.