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Sample records for atomic ag-o chains

  1. Atomic Chain Electronics

    NASA Technical Reports Server (NTRS)

    Yamada, Toshishige; Saini, Subhash (Technical Monitor)

    1998-01-01

    Adatom chains, precise structures artificially created on an atomically regulated surface, are the smallest possible candidates for future nanoelectronics. Since all the devices are created by combining adatom chains precisely prepared with atomic precision, device characteristics are predictable, and free from deviations due to accidental structural defects. In this atomic dimension, however, an analogy to the current semiconductor devices may not work. For example, Si structures are not always semiconducting. Adatom states do not always localize at the substrate surface when adatoms form chemical bonds to the substrate atoms. Transport properties are often determined for the entire system of the chain and electrodes, and not for chains only. These fundamental issues are discussed, which will be useful for future device considerations.

  2. Doping of Semiconducting Atomic Chains

    NASA Technical Reports Server (NTRS)

    Toshishige, Yamada; Kutler, Paul (Technical Monitor)

    1997-01-01

    Due to the rapid progress in atom manipulation technology, atomic chain electronics would not be a dream, where foreign atoms are placed on a substrate to form a chain, and its electronic properties are designed by controlling the lattice constant d. It has been shown theoretically that a Si atomic chain is metallic regardless of d and that a Mg atomic chain is semiconducting or insulating with a band gap modified with d. For electronic applications, it is essential to establish a method to dope a semiconducting chain, which is to control the Fermi energy position without altering the original band structure. If we replace some of the chain atoms with dopant atoms randomly, the electrons will see random potential along the chain and will be localized strongly in space (Anderson localization). However, if we replace periodically, although the electrons can spread over the chain, there will generally appear new bands and band gaps reflecting the new periodicity of dopant atoms. This will change the original band structure significantly. In order to overcome this dilemma, we may place a dopant atom beside the chain at every N lattice periods (N > 1). Because of the periodic arrangement of dopant atoms, we can avoid the unwanted Anderson localization. Moreover, since the dopant atoms do not constitute the chain, the overlap interaction between them is minimized, and the band structure modification can be made smallest. Some tight-binding results will be discussed to demonstrate the present idea.

  3. DOS cones along atomic chains

    NASA Astrophysics Data System (ADS)

    Kwapiński, Tomasz

    2017-03-01

    The electron transport properties of a linear atomic chain are studied theoretically within the tight-binding Hamiltonian and the Green’s function method. Variations of the local density of states (DOS) along the chain are investigated. They are crucial in scanning tunnelling experiments and give important insight into the electron transport mechanism and charge distribution inside chains. It is found that depending on the chain parity the local DOS at the Fermi level can form cone-like structures (DOS cones) along the chain. The general condition for the local DOS oscillations is obtained and the linear behaviour of the local density function is confirmed analytically. DOS cones are characterized by a linear decay towards the chain which is in contrast to the propagation properties of charge density waves, end states and Friedel oscillations in one-dimensional systems. We find that DOS cones can appear due to non-resonant electron transport, the spin–orbit scattering or for chains fabricated on a substrate with localized electrons. It is also shown that for imperfect chains (e.g. with a reduced coupling strength between two neighboring sites) a diamond-like structure of the local DOS along the chain appears.

  4. Doping Scheme of Semiconducting Atomic Chains

    NASA Technical Reports Server (NTRS)

    Toshishige, Yamada; Saini, Subhash (Technical Monitor)

    1998-01-01

    Atomic chains, precise structures of atomic scale created on an atomically regulated substrate surface, are candidates for future electronics. A doping scheme for intrinsic semiconducting Mg chains is considered. In order to suppress the unwanted Anderson localization and minimize the deformation of the original band shape, atomic modulation doping is considered, which is to place dopant atoms beside the chain periodically. Group I atoms are donors, and group VI or VII atoms are acceptors. As long as the lattice constant is long so that the s-p band crossing has not occurred, whether dopant atoms behave as donors or acceptors is closely related to the energy level alignment of isolated atomic levels. Band structures are calculated for Br-doped (p-type) and Cs-doped (n-type) Mg chains using the tight-binding theory with universal parameters, and it is shown that the band deformation is minimized and only the Fermi energy position is modified.

  5. Doping Scheme in Atomic Chain Electronics

    NASA Technical Reports Server (NTRS)

    Toshishige, Yamada

    1997-01-01

    Due to the dramatic reduction in MOS size, there appear many unwanted effects. In these small devices, the number of dopant atoms in the channel is not macroscopic and electrons may suffer significantly different scattering from device to device since the spatial distribution of dopant atoms is no longer regarded as continuous. This prohibits integration, while it is impossible to control such dopant positions within atomic scale. A fundamental solution is to create electronics with simple but atomically precise structures, which could be fabricated with recent atom manipulation technology. All the constituent atoms are placed as planned, and then the device characteristics are deviation-free, which is mandatory for integration. Atomic chain electronics belongs to this category. Foreign atom chains or arrays form devices, and they are placed on the atomically flat substrate surface. We can design the band structure and the resultant Fermi energy of these structures by manipulating the lattice constant. Using the tight-binding theory with universal parameters, it has been predicted that isolated Si chains and arrays are metallic, Mg chains are insulating, and Mg arrays have metallic and insulating phases [1]. The transport properties along a metallic chain have been studied, emphasizing the role of the contact to electrodes [2]. For electronic applications, it is essential to establish a method to dope a semiconducting chain, which is to control the Fermi energy position without altering the original band structure. If we replace some of the chain atoms with dopant atoms randomly, the electrons will see random potential along die chain and will be localized strongly in space (Anderson localization). However, if we replace periodically, although the electrons can spread over the chain, there will generally appear new bands and band gaps reflecting the new periodicity of dopant atoms. This will change the original band structure significantly. In order to overcome

  6. On Substrate for Atomic Chain Electronics

    NASA Technical Reports Server (NTRS)

    Yamada, Toshishige; Bauschlicher, Charles W., Jr.; Partridge, Harry; Saini, Subhash (Technical Monitor)

    1998-01-01

    A substrate for future atomic chain electronics, where adatoms are placed at designated positions and form atomically precise device components, is studied theoretically. The substrate has to serve as a two-dimensional template for adatom mounting with a reasonable confinement barrier and also provide electronic isolation, preventing unwanted coupling between independent adatom structures. However, the two requirements conflict. For excellent electronic isolation, we may seek adatom confinement via van der Waals interaction without chemical bonding to the substrate atoms, but the confinement turns out to be very weak and hence unsatisfactory. An alternative chemical bonding scheme with excellent structural strength is examined, but even fundamental adatom chain properties such as whether chains are semiconducting or metallic are strongly influenced by the nature of the chemical bonding, and electronic isolation is not always achieved. Conditions for obtaining semiconducting chains with well-localized surface-modes, leading to good isolation, are clarified and discussed.

  7. Substrate Effects for Atomic Chain Electronics

    NASA Technical Reports Server (NTRS)

    Yamada, Toshishige; Saini, Subhash (Technical Monitor)

    1998-01-01

    A substrate for future atomic chain electronics, where adatoms are placed at designated positions and form atomically precise device components, is studied theoretically. The substrate has to serve as a two-dimensional template for adatom mounting with a reasonable confinement barrier and also provide electronic isolation, preventing unwanted coupling between independent adatom structures. For excellent structural stability, we demand chemical bonding between the adatoms and substrate atoms, but then good electronic isolation may not be guaranteed. Conditions are clarified for good isolation. Because of the chemical bonding, fundamental adatom properties are strongly influenced: a chain with group IV adatoms having two chemical bonds, or a chain with group III adatoms having one chemical bond is semiconducting. Charge transfer from or to the substrate atoms brings about unintentional doping, and the electronic properties have to be considered for the entire combination of the adatom and substrate systems even if the adatom modes are well localized at the surface.

  8. Carbon nanotube-clamped metal atomic chain

    PubMed Central

    Tang, Dai-Ming; Yin, Li-Chang; Li, Feng; Liu, Chang; Yu, Wan-Jing; Hou, Peng-Xiang; Wu, Bo; Lee, Young-Hee; Ma, Xiu-Liang; Cheng, Hui-Ming

    2010-01-01

    Metal atomic chain (MAC) is an ultimate one-dimensional structure with unique physical properties, such as quantized conductance, colossal magnetic anisotropy, and quantized magnetoresistance. Therefore, MACs show great potential as possible components of nanoscale electronic and spintronic devices. However, MACs are usually suspended between two macroscale metallic electrodes; hence obvious technical barriers exist in the interconnection and integration of MACs. Here we report a carbon nanotube (CNT)-clamped MAC, where CNTs play the roles of both nanoconnector and electrodes. This nanostructure is prepared by in situ machining a metal-filled CNT, including peeling off carbon shells by spatially and elementally selective electron beam irradiation and further elongating the exposed metal nanorod. The microstructure and formation process of this CNT-clamped MAC are explored by both transmission electron microscopy observations and theoretical simulations. First-principles calculations indicate that strong covalent bonds are formed between the CNT and MAC. The electrical transport property of the CNT-clamped MAC was experimentally measured, and quantized conductance was observed. PMID:20427743

  9. Ultrasonic atomization of liquids in drop-chain acoustic fountains.

    PubMed

    Simon, Julianna C; Sapozhnikov, Oleg A; Khokhlova, Vera A; Crum, Lawrence A; Bailey, Michael R

    2015-03-01

    When focused ultrasound waves of moderate intensity in liquid encounter an air interface, a chain of drops emerges from the liquid surface to form what is known as a drop-chain fountain. Atomization, or the emission of micro-droplets, occurs when the acoustic intensity exceeds a liquid-dependent threshold. While the cavitation-wave hypothesis, which states that atomization arises from a combination of capillary-wave instabilities and cavitation bubble oscillations, is currently the most accepted theory of atomization, more data on the roles of cavitation, capillary waves, and even heat deposition or boiling would be valuable. In this paper, we experimentally test whether bubbles are a significant mechanism of atomization in drop-chain fountains. High-speed photography was used to observe the formation and atomization of drop-chain fountains composed of water and other liquids. For a range of ultrasonic frequencies and liquid sound speeds, it was found that the drop diameters approximately equalled the ultrasonic wavelengths. When water was exchanged for other liquids, it was observed that the atomization threshold increased with shear viscosity. Upon heating water, it was found that the time to commence atomization decreased with increasing temperature. Finally, water was atomized in an overpressure chamber where it was found that atomization was significantly diminished when the static pressure was increased. These results indicate that bubbles, generated by either acoustic cavitation or boiling, contribute significantly to atomization in the drop-chain fountain.

  10. Ultrasonic atomization of liquids in drop-chain acoustic fountains

    PubMed Central

    Simon, Julianna C.; Sapozhnikov, Oleg A.; Khokhlova, Vera A.; Crum, Lawrence A.; Bailey, Michael R.

    2015-01-01

    When focused ultrasound waves of moderate intensity in liquid encounter an air interface, a chain of drops emerges from the liquid surface to form what is known as a drop-chain fountain. Atomization, or the emission of micro-droplets, occurs when the acoustic intensity exceeds a liquid-dependent threshold. While the cavitation-wave hypothesis, which states that atomization arises from a combination of capillary-wave instabilities and cavitation bubble oscillations, is currently the most accepted theory of atomization, more data on the roles of cavitation, capillary waves, and even heat deposition or boiling would be valuable. In this paper, we experimentally test whether bubbles are a significant mechanism of atomization in drop-chain fountains. High-speed photography was used to observe the formation and atomization of drop-chain fountains composed of water and other liquids. For a range of ultrasonic frequencies and liquid sound speeds, it was found that the drop diameters approximately equalled the ultrasonic wavelengths. When water was exchanged for other liquids, it was observed that the atomization threshold increased with shear viscosity. Upon heating water, it was found that the time to commence atomization decreased with increasing temperature. Finally, water was atomized in an overpressure chamber where it was found that atomization was significantly diminished when the static pressure was increased. These results indicate that bubbles, generated by either acoustic cavitation or boiling, contribute significantly to atomization in the drop-chain fountain. PMID:25977591

  11. Emerging magnetic order in platinum atomic contacts and chains

    PubMed Central

    Strigl, Florian; Espy, Christopher; Bückle, Maximilian; Scheer, Elke; Pietsch, Torsten

    2015-01-01

    The development of atomic-scale structures revealing novel transport phenomena is a major goal of nanotechnology. Examples include chains of atoms that form while stretching a transition metal contact or the predicted formation of magnetic order in these chains, the existence of which is still debated. Here we report an experimental study of the magneto-conductance (MC) and anisotropic MC with atomic-size contacts and mono-atomic chains of the nonmagnetic metal platinum. We find a pronounced and diverse MC behaviour, the amplitude and functional dependence change when stretching the contact by subatomic distances. These findings can be interpreted as a signature of local magnetic order in the chain, which may be of particular importance for the application of atomic-sized contacts in spintronic devices of the smallest possible size. PMID:25649440

  12. Substrate Effects on Electronic Properties of Atomic Chains

    NASA Technical Reports Server (NTRS)

    Yamada, Toshishige; Saini, Subhash (Technical Monitor)

    1998-01-01

    Atomic chains, precise structures of adatoms created on an atomically regulated surface, are candidates for constituent elements in future electronics. It was predicted that Si chains were metallic and Mg chains were semiconducting, and a doping method was also discussed. The substrate was assumed to work as a non-interacting template holding the adatoms. However, this scheme requires a low-temperature environment so that the adatoms will not displace from their ideal positions due to unwanted thermal agitation. For better structural stability, we may seek a scheme to allow the adatoms to form chemical bonding with the substrate atoms and secure their positions. The chemical bonding has two major effects on the chain electronic properties. First, only the remaining s and p orbitals in an adatom not used for the chemical bonding can decide chain band structures, rather than the full set of orbitals previously assumed. Second, because of a possible HOMO energy difference between adatom and substrate atom, semiconducting chains are unintentionally doped. These effects are studied with a self-consistent tight-binding method with universal parameters. With one adatom per unit cell, adatom chains are semiconducting: (1) if adatoms are of group III and form one chemical bond per adatom, or (2) if adatoms are of group IV and form two chemical bonds. 'Me previous result [I I of realizing semiconducting chains by group II adatoms without chemical bonds is consistent with this picture. When the HOMO energy in an adatom is shallower than that in a substrate atom, the entire chain is positively polarized, unintentionally achieving p-type doping. When deeper, the chain is negatively charged, achieving n-type doping.

  13. Chains of carbon atoms: A vision or a new nanomaterial?

    PubMed Central

    2015-01-01

    Summary Linear strings of sp1-hybridized carbon atoms are considered as a possible phase of carbon since decades. Whereas the debate about the stability of the corresponding bulk phase carbyne continues until today, the existence of isolated chains of carbon atoms has meanwhile been corroborated experimentally. Since graphene, as the two-dimensional sp2-bonded allotrope of carbon, has become a vast field, the question about the importance of one-dimensional carbon became of renewed interest. The present article gives an overview of the work that has been carried out on chains of carbon atoms in the past one or two decades. The review concentrates on isolated chains of carbon atoms and summarizes the experimental observations to date. While the experimental information is still very limited, many calculations of the physical and chemical properties have been published in the past years. Some of the most important theoretical studies and their importance in the present experimental situation are reviewed. PMID:25821697

  14. Chains of carbon atoms: A vision or a new nanomaterial?

    PubMed

    Banhart, Florian

    2015-01-01

    Linear strings of sp(1)-hybridized carbon atoms are considered as a possible phase of carbon since decades. Whereas the debate about the stability of the corresponding bulk phase carbyne continues until today, the existence of isolated chains of carbon atoms has meanwhile been corroborated experimentally. Since graphene, as the two-dimensional sp(2)-bonded allotrope of carbon, has become a vast field, the question about the importance of one-dimensional carbon became of renewed interest. The present article gives an overview of the work that has been carried out on chains of carbon atoms in the past one or two decades. The review concentrates on isolated chains of carbon atoms and summarizes the experimental observations to date. While the experimental information is still very limited, many calculations of the physical and chemical properties have been published in the past years. Some of the most important theoretical studies and their importance in the present experimental situation are reviewed.

  15. Supersolitons: Solitonic Excitations in Atomic Soliton Chains

    SciTech Connect

    Novoa, David; Michinel, Humberto; Perez-Garcia, Victor M.

    2008-10-03

    We show that, by tuning interactions in nonintegrable vector nonlinear Schroedinger equations modeling Bose-Einstein condensates and other relevant physical systems, it is possible to achieve a regime of elastic particlelike collisions between solitons. This would allow one to construct a Newton's cradle with solitons and supersolitons: localized collective excitations in solitary-wave chains.

  16. Probing atomic structure and Majorana wavefunctions in mono-atomic Fe chains on superconducting Pb surface

    NASA Astrophysics Data System (ADS)

    Pawlak, Rémy; Kisiel, Marcin; Klinovaja, Jelena; Meier, Tobias; Kawai, Shigeki; Glatzel, Thilo; Loss, Daniel; Meyer, Ernst

    2016-11-01

    Motivated by the striking promise of quantum computation, Majorana bound states (MBSs) in solid-state systems have attracted wide attention in recent years. In particular, the wavefunction localisation of MBSs is a key feature and is crucial for their future implementation as qubits. Here we investigate the spatial and electronic characteristics of topological superconducting chains of iron atoms on the surface of Pb(110) by combining scanning tunnelling microscopy and atomic force microscopy. We demonstrate that the Fe chains are mono-atomic, structured in a linear manner and exhibit zero-bias conductance peaks at their ends, which we interpret as signature for a MBS. Spatially resolved conductance maps of the atomic chains reveal that the MBSs are well localised at the chain ends (≲25 nm), with two localisation lengths as predicted by theory. Our observation lends strong support to use MBSs in Fe chains as qubits for quantum-computing devices.

  17. Formation of pentagonal atomic chains in BCC Fe nanowires

    NASA Astrophysics Data System (ADS)

    Sainath, G.; Choudhary, B. K.

    2016-12-01

    For the first time, we report the formation of pentagonal atomic chains during tensile deformation of ultra thin BCC Fe nanowires. Extensive molecular dynamics simulations have been performed on <100>/{110} BCC Fe nanowires with different cross section width varying from 0.404 to 3.634 nm at temperatures ranging from 10 to 900 K. The results indicate that above certain temperature, long and stable pentagonal atomic chains form in BCC Fe nanowires with cross section width less than 2.83 nm. The temperature, above which the pentagonal chains form, increases with increase in nanowire size. The pentagonal chains have been observed to be highly stable over large plastic strains and contribute to high ductility in Fe nanowires.

  18. Plasmon excitations in the dimers formed by atom chains

    NASA Astrophysics Data System (ADS)

    Xue, Hong-jie; Hao, Da-peng; Zhang, Ming; Wang, Xiao-mei

    2017-02-01

    Based on the linear response theory in the random-phase approximation and the free-electron gas model, we study the plasmon excitations in the dimers formed by atom chains. With the help of energy absorption spectrum and charge distribution, the evolutions of longitudinal and transverse plasmon, and the effect of the system parameters such as size, atomic separation and electron filling on plasmon are obtained. In addition, the dipole, quadrupole, end and central plasmon are observed.

  19. Stability of conductance oscillations in carbon atomic chains

    NASA Astrophysics Data System (ADS)

    Yu, Jing-Xin; Hou, Zhi-Wei; Liu, Xiu-Ying

    2015-06-01

    The conductance stabilities of carbon atomic chains (CACs) with different lengths are investigated by performing theoretical calculations using the nonequilibrium Green’s function method combined with density functional theory. Regular even-odd conductance oscillation is observed as a function of the wire length. This oscillation is influenced delicately by changes in the end carbon or sulfur atoms as well as variations in coupling strength between the chain and leads. The lowest unoccupied molecular orbital in odd-numbered chains is the main transmission channel, whereas the conductance remains relatively small for even-numbered chains and a significant drift in the highest occupied molecular orbital resonance toward higher energies is observed as the number of carbon atoms increases. The amplitude of the conductance oscillation is predicted to be relatively stable based on a thiol joint between the chain and leads. Results show that the current-voltage evolution of CACs can be affected by the chain length. The differential and second derivatives of the conductance are also provided. Project supported by the National Natural Science Foundation of China (Grant Nos. 11304079, 11404094, and 51201059), the Priority Scientific and Technological Project of Henan Province, China (Grant No. 14A140027), the School Fund (Grant No. 2012BS055), and the Plan of Natural Science Fundamental Research of Henan University of Technology, China (Grant No. 2014JCYJ15).

  20. Substrate Effects on Electronic Properties of Atomic Chains

    NASA Technical Reports Server (NTRS)

    Yamada, Toshishige; Saini, Subhash (Technical Monitor)

    1998-01-01

    When the device size is reduced down to 0.07 micrometers, the number of dopant atoms in the channel will no longer be macroscopic, typically less than a hundred. A spatial distribution of these dopant atoms will fluctuate statistically from device to device even in identically designed devices, and this places a serious limitation for integration. It is, however, impractical to control dopant positions within atomic dimension. One fundamental solution to this problem is to create electronics with atomically precise, but preferably simple structures. Atomic chains, precise structures of adatoms created on an atomically regulated surface, are candidates for constituent components in future electronics. All the adatoms will be placed at designated positions on the substrate, and all the device structures will be precise, free from any deviations. It was predicted using the tight-binding calculation with universal parameters that silicon chains were metallic and magnesium chains were semiconducting regardless of the lattice spacing, and a possible doping method was also proposed. In these treatments, the substrate was assumed to serve as a non-interacting template holding the adatoms without a formation of chemical bonding with substrate atoms. However, this scheme may not be easy to implement experimentally. Adatoms will have to be fixed with a van der Waals force on the substrate, but the force is generally weak and an extremely low temperature environment has to be prepared to suppress their unwanted thermal displacement. It may be logical to seek a scheme to allow the adatoms to form chemical bonding with the substrate atoms and secure their positions. The substrate effects are studied in detail.

  1. Mirror and cavity formations by chains of collectively radiating atoms

    NASA Astrophysics Data System (ADS)

    Gulfam, Qurrat-ul-Ain; Ficek, Zbigniew

    2016-11-01

    We search for mirror and cavitylike features of a linear chain of atoms in which one of the atoms is specially chosen as a probe atom that is initially prepared in its excited state or is continuously driven by a laser field. Short chains are considered, composed of only three and five atoms. The analysis demonstrates the importance of the interatomic dipole-dipole interaction, which may lead to a collective ordering of the emission along some specific directions. We examine the conditions under which the radiative modes available for the emission are only those contained inside a cone centered about the interatomic axis. Particular interest is in achieving one-way emission along the interatomic axis, in either the left (backward) or the right (forward) direction, which is referred to as a mirrorlike behavior of the atomic chain. A direction-dependent quantity called the directivity function, which determines how effective the system is in concentrating the radiation in a given direction, is introduced. We show that the function depends crucially on the distance between the atoms and find that there is a threshold for the interatomic distances above which a strongly directional emission can be achieved. The one-sided emission as a manifestation of the mirrorlike behavior and a highly focused emission along the interatomic axis as a characteristic of a single-mode cavity are demonstrated to occur in the stationary field. Below the threshold the directivity function is spherically symmetric. However, we find that the population can be trapped in one of the atoms, and sometimes in all atoms, indicating that at these short distances the system decays to a state for which there are no radiative modes available for emission.

  2. High-resolution studies of the Majorana atomic chain platform

    NASA Astrophysics Data System (ADS)

    Feldman, Benjamin E.; Randeria, Mallika T.; Li, Jian; Jeon, Sangjun; Xie, Yonglong; Wang, Zhijun; Drozdov, Ilya K.; Andrei Bernevig, B.; Yazdani, Ali

    2016-11-01

    Ordered assemblies of magnetic atoms on the surface of conventional superconductors can be used to engineer topological superconducting phases and realize Majorana fermion quasiparticles (MQPs) in a condensed matter setting. Recent experiments have shown that chains of Fe atoms on Pb generically have the required electronic characteristics to form a one-dimensional topological superconductor and have revealed spatially resolved signatures of localized MQPs at the ends of such chains. Here we report higher-resolution measurements of the same atomic chain system performed using a dilution refrigerator scanning tunnelling microscope (STM). With significantly better energy resolution than previous studies, we show that the zero-bias peak (ZBP) in Fe chains has no detectable splitting from hybridization with other states. The measurements also reveal that the ZBP exhibits a distinctive `double eye’ spatial pattern on nanometre length scales. Theoretically we show that this is a general consequence of STM measurements of MQPs with substantial spectral weight in the superconducting substrate, a conclusion further supported by measurements of Pb overlayers deposited on top of the Fe chains. Finally, we report experiments performed with superconducting tips in search of the particle-hole symmetric MQP signature expected in such measurements.

  3. First principles calculation of the structural, electronic, and magnetic properties of Au-Pd atomic chains

    SciTech Connect

    Dave, Mudra R.; Sharma, A. C.

    2015-06-24

    The structural, electronic and magnetic properties of free standing Au-Pd bimetallic atomic chain is studied using ab-initio method. It is found that electronic and magnetic properties of chains depend on position of atoms and number of atoms. Spin polarization factor for different atomic configuration of atomic chain is calculated predicting a half metallic behavior. It suggests a total spin polarised transport in these chains.

  4. Ab initio quantum transport in atomic carbon chains

    NASA Astrophysics Data System (ADS)

    Botello-Méndez, Andrés R.; Charlier, Jean-Christophe; Banhart, Florian; NAPS Team; Carbyne Collaboration

    2015-03-01

    Carbyne, the sp-hybridized phase of carbon, is still a missing link in the family of carbon allotropes. Recently, detailed electrical measurements and first-principles electronic transport calculations have been performed on monoatomic carbon chains. When the 1D system is under strain, the current-voltage curves exhibit a semiconducting behavior, which corresponds to the polyyne structure of the atomic chain with alternating single and triple bonds. Conversely, when the chain is unstrained, the ohmic behavior is observed in agreement with the metallic cumulene structure with double bonds, confirming recent theoretical predictions, namely that a metal-insulator transition can be induced by adjusting the strain. The key role of the contacting leads is also scrutinized by ab initio quantum conductance calculations, explaining the rectifying behavior measured in monoatomic carbon chains in a non-symmetric contact configuration.

  5. Structural Transition in Atomic Chains Driven by Transient Doping

    NASA Astrophysics Data System (ADS)

    Polei, S.; Snijders, P. C.; Erwin, S. C.; Himpsel, F. J.; Meiwes-Broer, K.-H.; Barke, I.

    2013-10-01

    A reversible structural transition is observed on Si(553)-Au by scanning tunneling microscopy, triggered by electrons injected from the tip into the surface. The periodicity of atomic chains near the step edges changes from the 1×3 ground state to a 1×2 excited state with increasing tunneling current. The threshold current for this transition is reduced at lower temperatures. In conjunction with first-principles density-functional calculations it is shown that the 1×2 phase is created by temporary doping of the atom chains. Random telegraph fluctuations between two levels of the tunneling current provide direct access to the dynamics of the phase transition, revealing lifetimes in the millisecond range.

  6. Dynamical entanglement purification using chains of atoms and optical cavities

    SciTech Connect

    Gonta, Denis; Loock, Peter van

    2011-10-15

    In the framework of cavity QED, we propose a practical scheme to purify dynamically a bipartite entangled state using short chains of atoms coupled to high-finesse optical cavities. In contrast to conventional entanglement purification protocols, we avoid controlled-not gates, thus reducing complicated pulse sequences and superfluous qubit operations. Our interaction scheme works in a deterministic way and, together with entanglement distribution and swapping, opens a route toward efficient quantum repeaters for long-distance quantum communication.

  7. CHARMM36 united atom chain model for lipids and surfactants.

    PubMed

    Lee, Sarah; Tran, Alan; Allsopp, Matthew; Lim, Joseph B; Hénin, Jérôme; Klauda, Jeffery B

    2014-01-16

    Molecular simulations of lipids and surfactants require accurate parameters to reproduce and predict experimental properties. Previously, a united atom (UA) chain model was developed for the CHARMM27/27r lipids (Hénin, J., et al. J. Phys. Chem. B. 2008, 112, 7008-7015) but suffers from the flaw that bilayer simulations using the model require an imposed surface area ensemble, which limits its use to pure bilayer systems. A UA-chain model has been developed based on the CHARMM36 (C36) all-atom lipid parameters, termed C36-UA, and agreed well with bulk, lipid membrane, and micelle formation of a surfactant. Molecular dynamics (MD) simulations of alkanes (heptane and pentadecane) were used to test the validity of C36-UA on density, heat of vaporization, and liquid self-diffusion constants. Then, simulations using C36-UA resulted in accurate properties (surface area per lipid, X-ray and neutron form factors, and chain order parameters) of various saturated- and unsaturated-chain bilayers. When mixed with the all-atom cholesterol model and tested with a series of 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC)/cholesterol mixtures, the C36-UA model performed well. Simulations of self-assembly of a surfactant (dodecylphosphocholine, DPC) using C36-UA suggest an aggregation number of 53 ± 11 DPC molecules at 0.45 M of DPC, which agrees well with experimental estimates. Therefore, the C36-UA force field offers a useful alternative to the all-atom C36 lipid force field by requiring less computational cost while still maintaining the same level of accuracy, which may prove useful for large systems with proteins.

  8. Structure of self-assembled Mn atom chains on Si(001)

    NASA Astrophysics Data System (ADS)

    Villarreal, Renan; Longobardi, Maria; Koester, Sigrun A.; Kirkham, Christopher J.; Bowler, David; Renner, Christoph

    Mn has been found to self-assemble into atomic chains running perpendicular to the surface dimer reconstruction on Si(001). They differ from other atomic chains by a striking asymmetric appearance in filled state scanning tunneling microscopy (STM) images. This has prompted complicated structural models involving up to three Mn atoms per chain unit. Combining STM, atomic force microscopy and density functional theory we find that a simple necklace-like chain of single Mn atoms reproduces all their prominent features, including their asymmetry not captured by current models. The upshot is a remarkably simpler structure for modelling the electronic and magnetic properties of Mn atom chains on Si(001).

  9. Structure of Self-Assembled Mn Atom Chains on Si(001)

    NASA Astrophysics Data System (ADS)

    Villarreal, R.; Longobardi, M.; Köster, S. A.; Kirkham, Ch. J.; Bowler, D.; Renner, Ch.

    2015-12-01

    Mn has been found to self-assemble into atomic chains running perpendicular to the surface dimer reconstruction on Si(001). They differ from other atomic chains by a striking asymmetric appearance in filled state scanning tunneling microscopy (STM) images. This has prompted complicated structural models involving up to three Mn atoms per chain unit. Combining STM, atomic force microscopy, and density functional theory we find that a simple necklacelike chain of single Mn atoms reproduces all their prominent features, including their asymmetry not captured by current models. The upshot is a remarkably simpler structure for modeling the electronic and magnetic properties of Mn atom chains on Si(001).

  10. Stretching of Single Polymer Chains Using the Atomic Force Microscope

    NASA Astrophysics Data System (ADS)

    Ortiz, C.; van der Vegte, E. W.; van Swieten, E.; Robillard, G. T.; Hadziioannou, G.

    1998-03-01

    A variety of macroscopic phenomenon involve "nanoscale" polymer deformation including rubber elasticity, shear yielding, strain hardening, stress relaxation, fracture, and flow. With the advent of new and improved experimental techniques, such as the atomic force microscope (AFM), the probing of physical properties of polymers has reached finer and finer scales. The development of mixed self-assembling monolayer techniques and the chemical functionalization of AFM probe tips has allowed for mechanical experiments on single polymer chains of molecular dimensions. In our experiments, mixed monolayers are prepared in which end-functionalized, flexible polymer chains of thiol-terminated poly(methacrylic acid) are covalently bonded, isolated, and randomly distributed on gold substrates. The coils are then imaged, tethered to a gold-coated AFM tip, and stretched between the tip and the substrate in a conventional force / distance experiment. An increase in the attractive force due to entropic, elastic resistance to stretching, as well as fracture of the polymer chain is observed. The effect of chain stiffness, topological constraints, strain rate, mechanical hysteresis, and stress relaxation were investigated. Force modulation techniques were also employed in order to image the viscoelastic character of the polymer chains. Parallel work includes similar studies of biological systems such as wheat gluten proteins and polypeptides.

  11. Correlated Exciton Transport in Rydberg-Dressed-Atom Spin Chains.

    PubMed

    Schempp, H; Günter, G; Wüster, S; Weidemüller, M; Whitlock, S

    2015-08-28

    We investigate the transport of excitations through a chain of atoms with nonlocal dissipation introduced through coupling to additional short-lived states. The system is described by an effective spin-1/2 model where the ratio of the exchange interaction strength to the reservoir coupling strength determines the type of transport, including coherent exciton motion, incoherent hopping, and a regime in which an emergent length scale leads to a preferred hopping distance far beyond nearest neighbors. For multiple impurities, the dissipation gives rise to strong nearest-neighbor correlations and entanglement. These results highlight the importance of nontrivial dissipation, correlations, and many-body effects in recent experiments on the dipole-mediated transport of Rydberg excitations.

  12. Realization of a particle-in-a-box: electron in an atomic Pd chain.

    PubMed

    Nilius, N; Wallis, T M; Ho, W

    2005-11-10

    Well-defined Pd chains were assembled from single atoms on a NiAl(110) surface with the tip of a scanning tunneling microscope. The electronic properties of the chains were determined by spatially resolved conductance measurements, revealing a series of quantum well states with parabolic dispersion. The particle-in-a-box states in Pd chains show higher onset energy and larger effective mass than those in Au chains investigated before, reflecting the influence of elemental composition on one-dimensional electronic systems. The intrinsic widths and spectral intensities of Pd induced states provide information on lifetime and spatial localization of states in the atomic chain.

  13. The magnetism and spin-dependent electronic transport properties of boron nitride atomic chains

    NASA Astrophysics Data System (ADS)

    An, Yipeng; Zhang, Mengjun; Wu, Dapeng; Fu, Zhaoming; Wang, Tianxing; Jiao, Zhaoyong; Wang, Kun

    2016-07-01

    Very recently, boron nitride atomic chains were successively prepared and observed in experiments [O. Cretu et al., ACS Nano 8, 11950 (2015)]. Herein, using a first-principles technique, we study the magnetism and spin-dependent electronic transport properties of three types of BN atomic chains whose magnetic moment is 1 μB for BnNn-1, 2 μB for BnNn, and 3 μB for BnNn+1 type atomic chains, respectively. The spin-dependent electronic transport results demonstrate that the short BnNn+1 chain presents an obvious spin-filtering effect with high spin polarization ratio (>90%) under low bias voltages. Yet, this spin-filtering effect does not occur for long BnNn+1 chains under high bias voltages and other types of BN atomic chains (BnNn-1 and BnNn). The proposed short BnNn+1 chain is predicted to be an effective low-bias spin filters. Moreover, the length-conductance relationships of these BN atomic chains were also studied.

  14. Dark Energy Drives Vibrating Atoms, Chain reactions, Etc.:

    NASA Astrophysics Data System (ADS)

    Sven, Charles

    2010-03-01

    The 14 billion year old atom - destroyed Hiroshima, vibrates at a 100 trillion times/sec, emanates photons at the speed of light, contains atom sized proton force field that attracts electrons, all driven by ``Dark Energy.'' This ageless atom's superpowerful requirements, must be supplied from a huge, external, super high-frequency, super-cooled, ``Dark Energy field,'' undetected by current technology, existing for 14+ billion years without degradation. Demonstrating this age-old atom's ``dark energy'' power source requires the synthesis of a number of elements, forces, observations and experiments, many of which are combined in novel but only in replicable venues. Solution includes ``Dark Energy'' participation in celestial observations. Expanded excerpt from my presentation at: the American Physical Society's April meeting in Denver 2009 Section T8: Cosmology

  15. Strain-induced metal–semiconductor transition observed in atomic carbon chains

    PubMed Central

    La Torre, A.; Botello-Mendez, A.; Baaziz, W.; Charlier, J. -C.; Banhart, F.

    2015-01-01

    Carbyne, the sp1-hybridized phase of carbon, is still a missing link in the family of carbon allotropes. While the bulk phases of carbyne remain elusive, the elementary constituents, that is, linear chains of carbon atoms, have already been observed using the electron microscope. Isolated atomic chains are highly interesting one-dimensional conductors that have stimulated considerable theoretical work. Experimental information, however, is still very limited. Here we show electrical measurements and first-principles transport calculations on monoatomic carbon chains. When the 1D system is under strain, the chains are semiconducting corresponding to the polyyne structure with alternating bond lengths. Conversely, when the chain is unstrained, the ohmic behaviour of metallic cumulene with uniform bond lengths is observed. This confirms the recent prediction of a metal–insulator transition that is induced by strain. The key role of the contacting leads explains the rectifying behaviour measured in monoatomic carbon chains in a nonsymmetric contact configuration. PMID:25818506

  16. Strain-induced metal-semiconductor transition observed in atomic carbon chains

    NASA Astrophysics Data System (ADS)

    La Torre, A.; Botello-Mendez, A.; Baaziz, W.; Charlier, J.-C.; Banhart, F.

    2015-03-01

    Carbyne, the sp1-hybridized phase of carbon, is still a missing link in the family of carbon allotropes. While the bulk phases of carbyne remain elusive, the elementary constituents, that is, linear chains of carbon atoms, have already been observed using the electron microscope. Isolated atomic chains are highly interesting one-dimensional conductors that have stimulated considerable theoretical work. Experimental information, however, is still very limited. Here we show electrical measurements and first-principles transport calculations on monoatomic carbon chains. When the 1D system is under strain, the chains are semiconducting corresponding to the polyyne structure with alternating bond lengths. Conversely, when the chain is unstrained, the ohmic behaviour of metallic cumulene with uniform bond lengths is observed. This confirms the recent prediction of a metal-insulator transition that is induced by strain. The key role of the contacting leads explains the rectifying behaviour measured in monoatomic carbon chains in a nonsymmetric contact configuration.

  17. Area-efficient nonvolatile carry chain based on pass-transistor/atom-switch hybrid logic

    NASA Astrophysics Data System (ADS)

    Bai, Xu; Tsuji, Yukihide; Sakamoto, Toshitsugu; Morioka, Ayuka; Miyamura, Makoto; Tada, Munehiro; Banno, Naoki; Okamoto, Koichiro; Iguchi, Noriyuki; Hada, Hiromitsu

    2016-04-01

    For the first time, an area-efficient nonvolatile carry chain combining look-up tables and a pass-transistor-logic-based adder is newly developed using complementary atom switches without additional CMOS circuits. A proposed tristate switch composed of three pairs of complementary atom switches selects one of “0”, “1”, and the “carry_in” signal as the input of a common multiplexer for both a look-up table and an adder. The developed nonvolatile carry chain achieves the reductions of 20% area, 17% delay, and 17% power consumption, respectively, in comparison with a conventional nonvolatile carry chain using dedicated CMOS gates.

  18. Study on nitrogen doped carbon atom chains with negative differential resistance effect

    NASA Astrophysics Data System (ADS)

    Shen, Ji-Mei; Liu, Jing; Min, Yi; Zhou, Li-Ping

    2016-05-01

    Recent calculations (Mahmoud and Lugli, 2013, [21]) of gold leads sandwiching carbon chains which are separated by diphenyl-dimethyl demonstrated that the negative differential resistance (NDR) effect appears only for ;odd; numbers of carbon atoms. In this paper, according to a first-principles study based on non-equilibrium Green's function combining density functional theory, we find that the NDR effect appears both for ;odd; and for ;even; numbers of carbon atoms when the chains are doped by nitrogen atom. Our calculations remove the restriction of ;odd/even; chains for the NDR effect, which may promise the potential applications of carbon chains in the nano-scale or molecular devices in the future.

  19. Plasmon-induced dynamics of H{sub 2} splitting on a silver atomic chain

    SciTech Connect

    Yan, Lei; Ding, Zijing; Song, Peng; Wang, Fangwei; Meng, Sheng

    2015-08-24

    Localized surface plasmon resonances (LSPR) supported in metal nanostructures can be efficiently harnessed to drive photocatalytic reactions, whose atomic scale mechanism remains a challenge. Here, real-time dynamics of H{sub 2} photosplitting on a linear silver atomic chain, upon exposure to femtosecond laser pulses, has been investigated using time-dependent density functional theory. The wavelength dependent H{sub 2} splitting process is strongly coupled to LSPR excitation in silver chain. We identify that hot electrons produced in the silver chain by plasmon excitation are transferred to the antibonding state of the adsorbed H{sub 2} and trigger H{sub 2} dissociation, consistent with experimental observations. Increasing illumination intensity and the length of atomic chain promote H{sub 2} splitting, thanks to stronger LSPR. Dynamic electronic response can be quantitatively described within the present approach, providing insights towards a complete fundamental understanding on plasmon-induced chemical reactions at the microscopic scale.

  20. Observation of Aubry-type transition in finite atom chains via friction.

    PubMed

    Bylinskii, Alexei; Gangloff, Dorian; Counts, Ian; Vuletić, Vladan

    2016-07-01

    The highly nonlinear many-body physics of a chain of mutually interacting atoms in contact with a periodic substrate gives rise to complex static and dynamical phenomena, such as structural phase transitions and friction. In the limit of an infinite chain incommensurate with the substrate, Aubry predicted a transition with increasing substrate potential, from the chain's intrinsic arrangement free to slide on the substrate, to a pinned arrangement favouring the substrate pattern. So far, the Aubry transition has not been observed. Here, using spatially resolved position and friction measurements of cold trapped ions in an optical lattice, we observed a finite version of the Aubry transition and the onset of its hallmark fractal atomic arrangement. Notably, the observed critical lattice depth for few-ion chains agrees well with the infinite-chain prediction. Our results elucidate the connection between competing ordering patterns and superlubricity in nanocontacts-the elementary building blocks of friction.

  1. Magnetic properties of Pd atomic chains formed during submonolayer deposition of 3d metals on Pd(110)

    NASA Astrophysics Data System (ADS)

    Stepanyuk, O. V.; Ignatiev, P. A.; Negulyaev, N. N.; Saletsky, A. M.; Hergert, W.

    2012-06-01

    Recently, an unusual intermixing-driven scenario for the growth of atomic Pd chains on a Pd(110) surface during deposition of 3d metal atoms has been predicted (Stepanyuk 2009 Phys. Rev. B 79 155410) and confirmed by STM and STS experiments (Wie et al 2009 Phys. Rev. Lett. 103 225504). Performing ab initio calculations we demonstrate that Pd atomic chains grown above embedded Fe atoms exhibit magnetic properties which depend on the substrate mediated exchange interaction between the Fe atoms.

  2. Magnetic properties of Pd atomic chains formed during submonolayer deposition of 3d metals on Pd(110).

    PubMed

    Stepanyuk, O V; Ignatiev, P A; Negulyaev, N N; Saletsky, A M; Hergert, W

    2012-06-13

    Recently, an unusual intermixing-driven scenario for the growth of atomic Pd chains on a Pd(110) surface during deposition of 3d metal atoms has been predicted (Stepanyuk 2009 Phys. Rev. B 79 155410) and confirmed by STM and STS experiments (Wie et al 2009 Phys. Rev. Lett. 103 225504). Performing ab initio calculations we demonstrate that Pd atomic chains grown above embedded Fe atoms exhibit magnetic properties which depend on the substrate mediated exchange interaction between the Fe atoms.

  3. Tailoring Thermal Conductivity of Single-stranded Carbon-chain Polymers through Atomic Mass Modification

    PubMed Central

    Liao, Quanwen; Zeng, Lingping; Liu, Zhichun; Liu, Wei

    2016-01-01

    Tailoring the thermal conductivity of polymers is central to enlarge their applications in the thermal management of flexible integrated circuits. Progress has been made over the past decade by fabricating materials with various nanostructures, but a clear relationship between various functional groups and thermal properties of polymers remains to be established. Here, we numerically study the thermal conductivity of single-stranded carbon-chain polymers with multiple substituents of hydrogen atoms through atomic mass modification. We find that their thermal conductivity can be tuned by atomic mass modifications as revealed through molecular dynamics simulations. The simulation results suggest that heavy homogeneous substituents do not assist heat transport and trace amounts of heavy substituents can in fact hinder heat transport substantially. Our analysis indicates that carbon chain has the biggest contribution (over 80%) to the thermal conduction in single-stranded carbon-chain polymers. We further demonstrate that atomic mass modifications influence the phonon bands of bonding carbon atoms, and the discrepancies of phonon bands between carbon atoms are responsible for the remarkable drops in thermal conductivity and large thermal resistances in carbon chains. Our study provides fundamental insight into how to tailor the thermal conductivity of polymers through variable substituents. PMID:27713563

  4. Tailoring Thermal Conductivity of Single-stranded Carbon-chain Polymers through Atomic Mass Modification.

    PubMed

    Liao, Quanwen; Zeng, Lingping; Liu, Zhichun; Liu, Wei

    2016-10-07

    Tailoring the thermal conductivity of polymers is central to enlarge their applications in the thermal management of flexible integrated circuits. Progress has been made over the past decade by fabricating materials with various nanostructures, but a clear relationship between various functional groups and thermal properties of polymers remains to be established. Here, we numerically study the thermal conductivity of single-stranded carbon-chain polymers with multiple substituents of hydrogen atoms through atomic mass modification. We find that their thermal conductivity can be tuned by atomic mass modifications as revealed through molecular dynamics simulations. The simulation results suggest that heavy homogeneous substituents do not assist heat transport and trace amounts of heavy substituents can in fact hinder heat transport substantially. Our analysis indicates that carbon chain has the biggest contribution (over 80%) to the thermal conduction in single-stranded carbon-chain polymers. We further demonstrate that atomic mass modifications influence the phonon bands of bonding carbon atoms, and the discrepancies of phonon bands between carbon atoms are responsible for the remarkable drops in thermal conductivity and large thermal resistances in carbon chains. Our study provides fundamental insight into how to tailor the thermal conductivity of polymers through variable substituents.

  5. Tailoring Thermal Conductivity of Single-stranded Carbon-chain Polymers through Atomic Mass Modification

    NASA Astrophysics Data System (ADS)

    Liao, Quanwen; Zeng, Lingping; Liu, Zhichun; Liu, Wei

    2016-10-01

    Tailoring the thermal conductivity of polymers is central to enlarge their applications in the thermal management of flexible integrated circuits. Progress has been made over the past decade by fabricating materials with various nanostructures, but a clear relationship between various functional groups and thermal properties of polymers remains to be established. Here, we numerically study the thermal conductivity of single-stranded carbon-chain polymers with multiple substituents of hydrogen atoms through atomic mass modification. We find that their thermal conductivity can be tuned by atomic mass modifications as revealed through molecular dynamics simulations. The simulation results suggest that heavy homogeneous substituents do not assist heat transport and trace amounts of heavy substituents can in fact hinder heat transport substantially. Our analysis indicates that carbon chain has the biggest contribution (over 80%) to the thermal conduction in single-stranded carbon-chain polymers. We further demonstrate that atomic mass modifications influence the phonon bands of bonding carbon atoms, and the discrepancies of phonon bands between carbon atoms are responsible for the remarkable drops in thermal conductivity and large thermal resistances in carbon chains. Our study provides fundamental insight into how to tailor the thermal conductivity of polymers through variable substituents.

  6. Single-photon transport through an atomic chain coupled to a one-dimensional nanophotonic waveguide

    NASA Astrophysics Data System (ADS)

    Liao, Zeyang; Zeng, Xiaodong; Zhu, Shi-Yao; Zubairy, M. Suhail

    2015-08-01

    We study the dynamics of a single-photon pulse traveling through a linear atomic chain coupled to a one-dimensional (1D) single mode photonic waveguide. We derive a time-dependent dynamical theory for this collective many-body system which allows us to study the real time evolution of the photon transport and the atomic excitations. Our analytical result is consistent with previous numerical calculations when there is only one atom. For an atomic chain, the collective interaction between the atoms mediated by the waveguide mode can significantly change the dynamics of the system. The reflectivity of a photon can be tuned by changing the ratio of coupling strength and the photon linewidth or by changing the number of atoms in the chain. The reflectivity of a single-photon pulse with finite bandwidth can even approach 100 % . The spectrum of the reflected and transmitted photon can also be significantly different from the single-atom case. Many interesting physical phenomena can occur in this system such as the photonic band-gap effects, quantum entanglement generation, Fano-like interference, and superradiant effects. For engineering, this system may serve as a single-photon frequency filter, single-photon modulation, and may find important applications in quantum information.

  7. Unexpected Huge Dimerization Ratio in One-Dimensional Carbon Atomic Chains.

    PubMed

    Lin, Yung-Chang; Morishita, Shigeyuki; Koshino, Masanori; Yeh, Chao-Hui; Teng, Po-Yuan; Chiu, Po-Wen; Sawada, Hidetaka; Suenaga, Kazutomo

    2017-01-11

    Peierls theory predicted atomic distortion in one-dimensional (1D) crystal due to its intrinsic instability in 1930. Free-standing carbon atomic chains created in situ in transmission electron microscope (TEM)1-3 are an ideal example to experimentally observe the dimerization behavior of carbon atomic chain within a finite length. We report here a surprisingly huge distortion found in the free-standing carbon atomic chains at 773 K, which is 10 times larger than the value expected in the system. Such an abnormally distorted phase only dominates at the elevated temperatures, while two distinct phases, distorted and undistorted, coexist at lower or ambient temperatures. Atom-by-atom spectroscopy indeed shows considerable variations in the carbon 1s spectra at each atomic site but commonly observes a slightly downshifted π* peak, which proves its sp(1) bonding feature. These results suggest that the simple model, relaxed and straight, is not fully adequate to describe the realistic 1D structure, which is extremely sensitive to perturbations such as external force or boundary conditions.

  8. Visualization of Fermi's golden rule through imaging of light emission from atomic silver chains.

    PubMed

    Chen, Chi; Bobisch, C A; Ho, W

    2009-08-21

    Atomic-scale spatial imaging of one-dimensional chains of silver atoms allows Fermi's golden rule, a fundamental principle governing optical transitions, to be visualized. We used a scanning tunneling microscope (STM) to assemble a silver atom chain on a nickel-aluminum alloy surface. Photon emission was induced with electrons from the tip of the STM. The emission was spatially resolved with subnanometer resolution by changing the tip position along the chain. The number and positions of the emission maxima in the photon images match those of the nodes in the differential conductance images of particle-in-a-box states. This surprising correlation between the emission maxima and nodes in the density of states is a manifestation of Fermi's golden rule in real space for radiative transitions and provides an understanding of the mechanism of STM-induced light emission.

  9. Theoretical realization of cluster-assembled hydrogen storage materials based on terminated carbon atomic chains.

    PubMed

    Liu, Chun-Sheng; An, Hui; Guo, Ling-Ju; Zeng, Zhi; Ju, Xin

    2011-01-14

    The capacity of carbon atomic chains with different terminations for hydrogen storage is studied using first-principles density functional theory calculations. Unlike the physisorption of H(2) on the H-terminated chain, we show that two Li (Na) atoms each capping one end of the odd- or even-numbered carbon chain can hold ten H(2) molecules with optimal binding energies for room temperature storage. The hybridization of the Li 2p states with the H(2)σ orbitals contributes to the H(2) adsorption. However, the binding mechanism of the H(2) molecules on Na arises only from the polarization interaction between the charged Na atom and the H(2). Interestingly, additional H(2) molecules can be bound to the carbon atoms at the chain ends due to the charge transfer between Li 2s2p (Na 3s) and C 2p states. More importantly, dimerization of these isolated metal-capped chains does not affect the hydrogen binding energy significantly. In addition, a single chain can be stabilized effectively by the C(60) fullerenes termination. With a hydrogen uptake of ∼10 wt.% on Li-coated C(60)-C(n)-C(60) (n = 5, 8), the Li(12)C(60)-C(n)-Li(12)C(60) complex, keeping the number of adsorbed H(2) molecules per Li and stabilizing the dispersion of individual Li atoms, can serve as better building blocks of polymers than the (Li(12)C(60))(2) dimer. These findings suggest a new route to design cluster-assembled hydrogen storage materials based on terminated sp carbon chains.

  10. Tuning the conductivity along atomic chains by selective chemisorption

    NASA Astrophysics Data System (ADS)

    Edler, F.; Miccoli, I.; Stöckmann, J. P.; Pfnür, H.; Braun, C.; Neufeld, S.; Sanna, S.; Schmidt, W. G.; Tegenkamp, C.

    2017-03-01

    Adsorption of Au on vicinal Si(111) surfaces results in growth of long-range ordered metallic quantum wires. In this paper, we utilized site-specific and selective adsorption of oxygen to modify chemically the transport via different channels in the systems Si(553)-Au and Si(557)-Au. They were analyzed by electron diffraction and four-tip STM-based transport experiments. Modeling of the adsorption process by density functional theory shows that the adatoms and rest atoms on Si(557)-Au provide energetically favored adsorption sites, which predominantly alter the transport along the wire direction. Since this structural motif is missing on Si(553)-Au, the transport channels remain almost unaffected by oxidation.

  11. One-photon scattering by an atomic chain in a two-mode resonator: cyclic conditions

    PubMed Central

    2014-01-01

    In this work, a chain of N identical two-level atoms coupled with a quantized electromagnetic field, initially prepared via a single-photon Fock state, is investigated. The N-particle state amplitude of the system is calculated for several space configurations of the atoms in the Weisskopf-Wigner approximation. It was shown that the space configuration of an atomic chain, the total number of atoms, and even the available volume for the field modes define the behavior of the system state amplitude with time. Applying the condition of ‘cyclic bonds’, presented in this work, to the elaborated theory allows to describe the system time evolution, practically, for any space configuration. PMID:24860278

  12. Lattice Dynamics of the Binary Aperiodic Chains of Atoms I:. Fractal Dimension of Phonon Spectra

    NASA Astrophysics Data System (ADS)

    Salejda, Włodzimierz

    The microscopic harmonic model of lattice dynamics of the binary chains of atoms is formulated and studied numerically. The dependence of spring constants of the nearest-neighbor (NN) interactions on the average distance between atoms are taken into account. The covering fractal dimensions Df{( c ; )} of the Cantor-set-like phonon spec-tra (PS) of generalized Fibonacci and non-Fibonaccian aperiodic chains containing of 16384≤N≤33461 atoms are determined numerically. The dependence of Df{( c ; )} on the strength Q of NN interactions and on R=mH/mL, where mH and mL denotes the mass of heavy and light atoms, respectively, are calculated for a wide range of Q and R. In particular we found: (1) The fractal dimension Df{( c ; )} of the PS for the so-called goldenmean, silver-mean, bronze-mean, dodecagonal and Severin chain shows a local maximum at increasing magnitude of Q and R>1 (2) At sufficiently large Q we observe power-like diminishing of Df{( c ; )} , i.e. Df{( c ; )} ( {R > 1, Q} ; ) = a ḑot Qα , where α=-0.14±0.02 and α=-0.10±0.02 for the above specified chains and so-called octagonal, copper-mean, nickel-mean, Thue-Morse, Rudin-Shapiro chain, respectively.

  13. Topological matter. Observation of Majorana fermions in ferromagnetic atomic chains on a superconductor.

    PubMed

    Nadj-Perge, Stevan; Drozdov, Ilya K; Li, Jian; Chen, Hua; Jeon, Sangjun; Seo, Jungpil; MacDonald, Allan H; Bernevig, B Andrei; Yazdani, Ali

    2014-10-31

    Majorana fermions are predicted to localize at the edge of a topological superconductor, a state of matter that can form when a ferromagnetic system is placed in proximity to a conventional superconductor with strong spin-orbit interaction. With the goal of realizing a one-dimensional topological superconductor, we have fabricated ferromagnetic iron (Fe) atomic chains on the surface of superconducting lead (Pb). Using high-resolution spectroscopic imaging techniques, we show that the onset of superconductivity, which gaps the electronic density of states in the bulk of the Fe chains, is accompanied by the appearance of zero-energy end-states. This spatially resolved signature provides strong evidence, corroborated by other observations, for the formation of a topological phase and edge-bound Majorana fermions in our atomic chains.

  14. High performance current and spin diode of atomic carbon chain between transversely symmetric ribbon electrodes

    PubMed Central

    Dong, Yao-Jun; Wang, Xue-Feng; Yang, Shuo-Wang; Wu, Xue-Mei

    2014-01-01

    We demonstrate that giant current and high spin rectification ratios can be achieved in atomic carbon chain devices connected between two symmetric ferromagnetic zigzag-graphene-nanoribbon electrodes. The spin dependent transport simulation is carried out by density functional theory combined with the non-equilibrium Green's function method. It is found that the transverse symmetries of the electronic wave functions in the nanoribbons and the carbon chain are critical to the spin transport modes. In the parallel magnetization configuration of two electrodes, pure spin current is observed in both linear and nonlinear regions. However, in the antiparallel configuration, the spin-up (down) current is prohibited under the positive (negative) voltage bias, which results in a spin rectification ratio of order 104. When edge carbon atoms are substituted with boron atoms to suppress the edge magnetization in one of the electrodes, we obtain a diode with current rectification ratio over 106. PMID:25142376

  15. Correlation between morphology, electron band structure, and resistivity of Pb atomic chains on the Si(5 5 3)-Au surface.

    PubMed

    Jałochowski, M; Kwapiński, T; Łukasik, P; Nita, P; Kopciuszyński, M

    2016-07-20

    Structural and electron transport properties of multiple Pb atomic chains fabricated on the Si(5 5 3)-Au surface are investigated using scanning tunneling spectroscopy, reflection high electron energy diffraction, angular resolved photoemission electron spectroscopy and in situ electrical resistance. The study shows that Pb atomic chains growth modulates the electron band structure of pristine Si(5 5 3)-Au surface and hence changes its sheet resistivity. Strong correlation between chains morphology, electron band structure and electron transport properties is found. To explain experimental findings a theoretical tight-binding model of multiple atomic chains interacting on effective substrate is proposed.

  16. Pd atomic chain formation as a result of submonolayer deposition of 3d metals on Pd(110).

    PubMed

    Wei, D H; Gao, C L; Zakeri, Kh; Przybylski, M

    2009-11-27

    Submonolayer deposition of 3d transition metals such as Cr, Mn, Fe, Co, and Ni on Pd(110) at room temperature causes the formation of monoatomic chains of Pd as identified with scanning tunneling microscopy and spectroscopy. In agreement with recent theoretical predictions [Phys. Rev. B 79, 155410 (2009)], the substitution of Pd substrate atoms with the deposited atoms of 3d metals is found to be responsible for the formation of Pd atomic chains. This finding clarifies the long-debated issue about the chemical composition of the atomic chains grown on Pd(110) and points out the intriguing processes in the formation of self-assembled and self-organized nanostructures.

  17. Low-temperature study of the magnetic properties of finite atomic chains

    NASA Astrophysics Data System (ADS)

    Kolesnikov, S. V.

    2016-05-01

    A simple method for the calculation of the spontaneous remagnetization time and magnetization curves of atomic finite-length ferromagnetic chains at a low temperature within the Heisenberg model has been proposed. The applicability limits of the method have been studied. It has been shown that the proposed method gives results being in good agreement with the kinetic Monte Carlo simulation results. Formulas obtained within our model can also be used to determine the lower bound for the Curie temperature.

  18. Atomic spin-chain realization of a model for quantum criticality

    NASA Astrophysics Data System (ADS)

    Toskovic, R.; van den Berg, R.; Spinelli, A.; Eliens, I. S.; van den Toorn, B.; Bryant, B.; Caux, J.-S.; Otte, A. F.

    2016-07-01

    The ability to manipulate single atoms has opened up the door to constructing interesting and useful quantum structures from the ground up. On the one hand, nanoscale arrangements of magnetic atoms are at the heart of future quantum computing and spintronic devices; on the other hand, they can be used as fundamental building blocks for the realization of textbook many-body quantum models, illustrating key concepts such as quantum phase transitions, topological order or frustration as a function of system size. Here, we use low-temperature scanning tunnelling microscopy to construct arrays of magnetic atoms on a surface, designed to behave like spin-1/2 XXZ Heisenberg chains in a transverse field, for which a quantum phase transition from an antiferromagnetic to a paramagnetic phase is predicted in the thermodynamic limit. Site-resolved measurements on these finite-size realizations reveal a number of sudden ground state changes when the field approaches the critical value, each corresponding to a new domain wall entering the chains. We observe that these state crossings become closer for longer chains, suggesting the onset of critical behaviour. Our results present opportunities for further studies on quantum behaviour of many-body systems, as a function of their size and structural complexity.

  19. Accelerated CO2 transport on surface of AgO nanoparticles in ionic liquid BMIMBF4

    NASA Astrophysics Data System (ADS)

    Ji, Dahye; Kang, Yong Soo; Kang, Sang Wook

    2015-11-01

    The AgO nanoparticles were utilized for a CO2 separation membrane. The AgO nanoparticles were successfully generated in ionic liquid 1-butyl-3-methyl imidazolium tetrafluoroborate (BMIMBF4) by favorable interaction between the surface of particles and the counteranion of BMIMBF4. The generated AgO nanoparticles were confirmed by TEM, and the average size was 20 nm. Coordinative interactions of dissociated AgO particles with BMIM+BF4- were investigated by FT-Raman spectroscopy. When the ionic liquid BMIMBF4 containing AgO nanoparticles was utilized as a CO2 separation membrane, the separation performance was largely enhanced.

  20. Accelerated CO2 transport on surface of AgO nanoparticles in ionic liquid BMIMBF4

    PubMed Central

    Ji, Dahye; Kang, Yong Soo; Kang, Sang Wook

    2015-01-01

    The AgO nanoparticles were utilized for a CO2 separation membrane. The AgO nanoparticles were successfully generated in ionic liquid 1-butyl-3-methyl imidazolium tetrafluoroborate (BMIMBF4) by favorable interaction between the surface of particles and the counteranion of BMIMBF4. The generated AgO nanoparticles were confirmed by TEM, and the average size was 20 nm. Coordinative interactions of dissociated AgO particles with BMIM+BF4− were investigated by FT-Raman spectroscopy. When the ionic liquid BMIMBF4 containing AgO nanoparticles was utilized as a CO2 separation membrane, the separation performance was largely enhanced. PMID:26549605

  1. Interplay between exotic superfluidity and magnetism in a chain of four-component ultracold atoms

    NASA Astrophysics Data System (ADS)

    Szirmai, E.; Barcza, G.; Sólyom, J.; Legeza, Ö.

    2017-01-01

    We investigate the spin-polarized chain of ultracold alkaline-earth-metal atoms with spin-3/2 described by the fermionic Hubbard model with SU(4) symmetric attractive interaction. The competition of bound pairs, trions, quartets, and unbound atoms is studied analytically and by density-matrix renormalization-group simulations. We find several distinct states where bound particles coexist with the ferromagnetic state of unpaired fermions. In particular, an exotic inhomogeneous Fulde-Ferrell-Larkin-Ovchinnikov (FFLO)-type superfluid of quartets in a magnetic background of uncorrelated atoms is found for weaker interactions. We show that the system can be driven from this quartet-FFLO state to a molecular state of localized quartets where spatial segregation between molecular crystals and ferromagnetic liquids emerges, and this transition is reflected in the static structure factor.

  2. Bromine atom production and chain propagation during springtime Arctic ozone depletion events in Barrow, Alaska

    NASA Astrophysics Data System (ADS)

    Thompson, Chelsea R.; Shepson, Paul B.; Liao, Jin; Huey, L. Greg; Cantrell, Chris; Flocke, Frank; Orlando, John

    2017-03-01

    Ozone depletion events (ODEs) in the Arctic are primarily controlled by a bromine radical-catalyzed destruction mechanism that depends on the efficient production and recycling of Br atoms. Numerous laboratory and modeling studies have suggested the importance of heterogeneous recycling of Br through HOBr reaction with bromide on saline surfaces. On the other hand, the gas-phase regeneration of bromine atoms through BrO-BrO radical reactions has been assumed to be an efficient, if not dominant, pathway for Br reformation and thus ozone destruction. Indeed, it has been estimated that the rate of ozone depletion is approximately equal to twice the rate of the BrO self-reaction. Here, we use a zero-dimensional, photochemical model, largely constrained to observations of stable atmospheric species from the 2009 Ocean-Atmosphere-Sea Ice-Snowpack (OASIS) campaign in Barrow, Alaska, to investigate gas-phase bromine radical propagation and recycling mechanisms of bromine atoms for a 7-day period during late March. This work is a continuation of that presented in Thompson et al. (2015) and utilizes the same model construct. Here, we use the gas-phase radical chain length as a metric for objectively quantifying the efficiency of gas-phase recycling of bromine atoms. The gas-phase bromine chain length is determined to be quite small, at < 1.5, and highly dependent on ambient O3 concentrations. Furthermore, we find that Br atom production from photolysis of Br2 and BrCl, which is predominately emitted from snow and/or aerosol surfaces, can account for between 30 and 90 % of total Br atom production. This analysis suggests that condensed-phase production of bromine is at least as important as, and at times greater than, gas-phase recycling for the occurrence of Arctic ODEs. Therefore, the rate of the BrO self-reaction is not a sufficient estimate for the rate of O3 depletion.

  3. A New One-dimensional Quantum Material - Ta2Pd3Se8 Atomic Chain

    NASA Astrophysics Data System (ADS)

    Liu, Xue; Liu, Jinyu; Hu, Jin; Yue, Chunlei; Mao, Zhiqiang; Wei, Jiang; Antipina, Liubov; Sorokin, Pavel; Sanchez, Ana

    Since the discovery of carbon nanotube, there has been a persistent effort to search for other one dimensional (1D) quantum systems. However, only a few examples have been found. We report a new 1D example - semiconducting Ta2Pd3Se8. We demonstrate that the Ta2Pd3Se8 nanowire as thin as 1.3nm can be easily obtained by applying simple mechanical exfoliation from its bulk counterpart. High resolution TEM shows an intrinsic 1D chain-like crystalline morphology on these nano wires, indicating weak bonding between these atomic chains. Theoretical calculation shows a direct bandgap structure, which evolves from 0.53eV in the bulk to 1.04eV in single atomic chain. The field effect transistor based on Ta2Pd3Se8 nanowire achieved a promising performance with 104On/Off ratio and 80 cm2V-1s-1 mobility. Low temperature transport study reflects two different mechanisms, variable range hopping and thermal activation, which dominate the transport properties at different temperature regimes. Ta2Pd3Se8 nanowire provides an intrinsic 1D material system for the study low dimensional condensed matter physics.

  4. Observation of Majorana fermions in ferromagnetic atomic chains on a superconductor

    NASA Astrophysics Data System (ADS)

    Nadj-Perge, Stevan

    2015-03-01

    Majorana fermions are zero-energy excitations predicted to localize at the edge of a topological superconductor, a state of matter that can form when a ferromagnetic system is placed in proximity to a conventional superconductor with strong spin-orbit interaction. With the goal of realizing a one-dimensional topological superconductor, we have fabricated ferromagnetic iron atomic chains on the surface of superconducting lead. Using high-resolution spectroscopic imaging techniques, we show that the onset of superconductivity, which gaps the electronic density of states in the bulk of the chains, is accompanied by the appearance of zero-energy end-states. This spatially resolved signature provides strong evidence, corroborated by other observations and theoretical modeling, for the formation of a topological phase and edge-bound Majorana states in this system. Our results demonstrates that atomic chains are viable platform for future experiments to manipulate Majorana bound states and to realize other related 1D or 2D topological superconducting phases. This work has done in collaboration with Ilya K. Drozdov, Jian Li, Hua Chen, Sangjun Jeon, Jungpil Seo, Allan H. MacDonald, B. Andrei Bernevig and Ali Yazdani. We acknowledge ONR, NSF-MRSEC, ARO-MRUI, NSF-DMR and EU Marie Curie for support.

  5. Influence of Defects on Vibrational Characteristics of Linear Chains of Inert Gases Atoms Adsorbed on Carbon Nanobundles

    NASA Astrophysics Data System (ADS)

    Manzhelii, E. V.

    2017-04-01

    The study of vibrational characteristics of chains of rare gas atoms adsorbed in the grooves between nanotubes in nanobundles is reduced to the analyses of the phonon spectrum and the vibrational characteristics of linear chains of atoms in an external field. Atoms in the chain have three degrees of freedom. The analytical expressions for the vibrational characteristics of the atoms in the chain, depending on the ratio between the interatomic distance in the chain r and the equilibrium distance between atoms in the chain r_0, are obtained. It is shown that at ratoms is modified. It is the defect that can entail discrete states split off from the quasi-continuous spectrum band. The discrete levels with frequencies below the quasi-continuous spectrum band shift the linear part of the temperature dependence of the heat capacity to lower temperatures. The conditions for appearing of discrete frequency levels are obtained, and their characteristics are found.

  6. Influence of Defects on Vibrational Characteristics of Linear Chains of Inert Gases Atoms Adsorbed on Carbon Nanobundles

    NASA Astrophysics Data System (ADS)

    Manzhelii, E. V.

    2016-11-01

    The study of vibrational characteristics of chains of rare gas atoms adsorbed in the grooves between nanotubes in nanobundles is reduced to the analyses of the phonon spectrum and the vibrational characteristics of linear chains of atoms in an external field. Atoms in the chain have three degrees of freedom. The analytical expressions for the vibrational characteristics of the atoms in the chain, depending on the ratio between the interatomic distance in the chain r and the equilibrium distance between atoms in the chain r_0 , are obtained. It is shown that at ratoms is modified. It is the defect that can entail discrete states split off from the quasi-continuous spectrum band. The discrete levels with frequencies below the quasi-continuous spectrum band shift the linear part of the temperature dependence of the heat capacity to lower temperatures. The conditions for appearing of discrete frequency levels are obtained, and their characteristics are found.

  7. A first-principle study of one-dimensional carbon atomic chain inserted single-wall carbon nanotubes.

    PubMed

    Mao, Yuliang; Zhong, JianXin; Yuan, JianMei; Zhao, Xinluo; Ando, Yoshinori

    2006-05-01

    Using first principles calculations, we investigate the atomic and electronic structure of carbon nanowires (CNWs) as the carbon chain inserted into single wall carbon nanotubes (SWCNTs). It indicates that the (5,5) CNW system exhibits metallic character, however, the insertion of carbon chain can transit a semi-conducting (9,0) SWCNT into a metallic.

  8. Communication: Site-dependent reactivity between chlorine atoms and mixed-chain-length alkanethiolate monolayers

    NASA Astrophysics Data System (ADS)

    Lee, David Y.; Kandel, S. Alex

    2013-10-01

    The chemical reaction of atomic chlorine with mixed monolayers of alkanethiolates having different chain lengths was investigated. In situ scanning tunneling microscopy was used to acquire time-lapsed series of images, allowing the measurement of the effect of monolayer structure and composition on reactivity. The rate of chemical reaction is strongly site-dependent. In particular, the boundary between two different-length alkanethiolates greatly promotes the reactivity of nearby molecules, much more so than any other native defect typical of single-component alkanethiolate monolayers.

  9. Contribution of main chain and side chain atoms and their locations to the stability of thermophilic proteins.

    PubMed

    Tompa, Dharma Rao; Gromiha, M Michael; Saraboji, K

    2016-03-01

    Proteins belonging to the same class, having similar structures thus performing the same function are known to have different thermal stabilities depending on the source- thermophile or mesophile. The variation in thermo-stability has not been attributed to any unified factor yet and understanding this phenomenon is critically needed in several areas, particularly in protein engineering to design stable variants of the proteins. Toward this motive, the present study focuses on the sequence and structural investigation of a dataset of 373 pairs of proteins; a thermophilic protein and its mesophilic structural analog in each pair, from the perspectives of hydrophobic free energy, hydrogen bonds, physico-chemical properties of amino acids and residue-residue contacts. Our results showed that the hydrophobic free energy due to carbon, charged nitrogen and charged oxygen atoms was stronger in 65% of thermophilic proteins. The number of hydrogen bonds which bridges the buried and exposed regions of proteins was also greater in case of thermophiles. Amino acids of extended shape, volume and molecular weight along with more medium and long range contacts were observed in many of the thermophilic proteins. These results highlight the preference of thermophiles toward the amino acids with larger side chain and charged to make up greater free energy, better packing of residues and increase the overall compactness.

  10. Average-atom model combined with the hypernetted chain approximation applied to warm dense matter

    NASA Astrophysics Data System (ADS)

    Hou, Yong; Bredow, Richard; Yuan, Jianmin; Redmer, Ronald

    2015-03-01

    We have combined the average-atom model with the hypernetted chain approximation (AAHNC) to describe the electronic and ionic structure in the warm dense matter regime. On the basis of the electronic and ionic structures, the x-ray Thomson scattering (XRTS) spectrum is calculated using the random-phase approximation. While the electronic structure is described within the average-atom model, the effects of other ions on the electronic structure are considered using an integral equation method of the theory of liquids, namely the hypernetted chain approximation. The ion-ion pair potential is calculated using the modified Gordon-Kim model based on the electronic density distribution. Finally, the electronic and ionic structures are determined self-consistently. The XRTS spectrum is calculated according to the Chihara formula, where the scattering contributions are divided into three components: elastic, bound-free, and free-free. Comparison of the present AAHNC results with other theoretical models and experimental data shows very good agreement. Thus the AAHNC model can give a reasonable description of the electronic and ionic structure in warm dense matter.

  11. Average-atom model combined with the hypernetted chain approximation applied to warm dense matter.

    PubMed

    Hou, Yong; Bredow, Richard; Yuan, Jianmin; Redmer, Ronald

    2015-03-01

    We have combined the average-atom model with the hypernetted chain approximation (AAHNC) to describe the electronic and ionic structure in the warm dense matter regime. On the basis of the electronic and ionic structures, the x-ray Thomson scattering (XRTS) spectrum is calculated using the random-phase approximation. While the electronic structure is described within the average-atom model, the effects of other ions on the electronic structure are considered using an integral equation method of the theory of liquids, namely the hypernetted chain approximation. The ion-ion pair potential is calculated using the modified Gordon-Kim model based on the electronic density distribution. Finally, the electronic and ionic structures are determined self-consistently. The XRTS spectrum is calculated according to the Chihara formula, where the scattering contributions are divided into three components: elastic, bound-free, and free-free. Comparison of the present AAHNC results with other theoretical models and experimental data shows very good agreement. Thus the AAHNC model can give a reasonable description of the electronic and ionic structure in warm dense matter.

  12. Fast equilibration protocol for million atom systems of highly entangled linear polyethylene chains.

    PubMed

    Sliozberg, Yelena R; Kröger, Martin; Chantawansri, Tanya L

    2016-04-21

    Equilibrated systems of entangled polymer melts cannot be produced using direct brute force equilibration due to the slow reptationdynamics exhibited by high molecular weight chains. Instead, these dense systems are produced using computational techniques such as Monte Carlo-Molecular Dynamics hybrid algorithms, though the use of soft potentials has also shown promise mainly for coarse-grained polymeric systems. Through the use of soft-potentials, the melt can be equilibrated via molecular dynamics at intermediate and long length scales prior to switching to a Lennard-Jones potential. We will outline two different equilibration protocols, which use various degrees of information to produce the starting configurations. In one protocol, we use only the equilibrium bond angle, bond length, and target density during the construction of the simulation cell, where the information is obtained from available experimental data and extracted from the force field without performing any prior simulation. In the second protocol, we moreover utilize the equilibrium radial distribution function and dihedral angle distribution. This information can be obtained from experimental data or from a simulation of short unentangled chains. Both methods can be used to prepare equilibrated and highly entangled systems, but the second protocol is much more computationally efficient. These systems can be strictly monodisperse or optionally polydisperse depending on the starting chain distribution. Our protocols, which utilize a soft-core harmonic potential, will be applied for the first time to equilibrate a million particle system of polyethylene chains consisting of 1000 united atoms at various temperatures. Calculations of structural and entanglement properties demonstrate that this method can be used as an alternative towards the generation of entangled equilibrium structures.

  13. Quantifying the atomic-level mechanics of single long physisorbed molecular chains

    PubMed Central

    Kawai, Shigeki; Koch, Matthias; Gnecco, Enrico; Sadeghi, Ali; Pawlak, Rémy; Glatzel, Thilo; Schwarz, Jutta; Goedecker, Stefan; Hecht, Stefan; Baratoff, Alexis; Grill, Leonhard; Meyer, Ernst

    2014-01-01

    Individual in situ polymerized fluorene chains 10–100 nm long linked by C–C bonds are pulled vertically from an Au(111) substrate by the tip of a low-temperature atomic force microscope. The conformation of the selected chains is imaged before and after manipulation using scanning tunneling microscopy. The measured force gradient shows strong and periodic variations that correspond to the step-by-step detachment of individual fluorene repeat units. These variations persist at constant intensity until the entire polymer is completely removed from the surface. Calculations based on an extended Frenkel–Kontorova model reproduce the periodicity and magnitude of these features and allow us to relate them to the detachment force and desorption energy of the repeat units. The adsorbed part of the polymer slides easily along the surface during the pulling process, leading to only small oscillations as a result of the high stiffness of the fluorenes and of their length mismatch with respect to the substrate surface structure. A significant lateral force also is caused by the sequential detachment of individual units. The gained insight into the molecule–surface interactions during sliding and pulling should aid the design of mechanoresponsive nanosystems and devices. PMID:24591611

  14. Quantifying the atomic-level mechanics of single long physisorbed molecular chains.

    PubMed

    Kawai, Shigeki; Koch, Matthias; Gnecco, Enrico; Sadeghi, Ali; Pawlak, Rémy; Glatzel, Thilo; Schwarz, Jutta; Goedecker, Stefan; Hecht, Stefan; Baratoff, Alexis; Grill, Leonhard; Meyer, Ernst

    2014-03-18

    Individual in situ polymerized fluorene chains 10-100 nm long linked by C-C bonds are pulled vertically from an Au(111) substrate by the tip of a low-temperature atomic force microscope. The conformation of the selected chains is imaged before and after manipulation using scanning tunneling microscopy. The measured force gradient shows strong and periodic variations that correspond to the step-by-step detachment of individual fluorene repeat units. These variations persist at constant intensity until the entire polymer is completely removed from the surface. Calculations based on an extended Frenkel-Kontorova model reproduce the periodicity and magnitude of these features and allow us to relate them to the detachment force and desorption energy of the repeat units. The adsorbed part of the polymer slides easily along the surface during the pulling process, leading to only small oscillations as a result of the high stiffness of the fluorenes and of their length mismatch with respect to the substrate surface structure. A significant lateral force also is caused by the sequential detachment of individual units. The gained insight into the molecule-surface interactions during sliding and pulling should aid the design of mechanoresponsive nanosystems and devices.

  15. Implementation of Outstanding Electronic Transport in Polar Covalent Boron Nitride Atomic Chains: another Extraordinary Odd-Even Behaviour

    PubMed Central

    Xu, Xiaodong; Li, Weiqi; Liu, Linhua; Feng, Jikang; Jiang, Yongyuan; Tian, Wei Quan

    2016-01-01

    A theoretical investigation of the unique electronic transport properties of the junctions composed of boron nitride atomic chains bridging symmetric graphene electrodes with point-contacts is executed through non-equilibrium Green’s function technique in combination with density functional theory. Compared with carbon atomic chains, the boron nitride atomic chains have an alternative arrangement of polar covalent B-N bonds and different contacts coupling electrodes, showing some unusual properties in functional atomic electronic devices. Remarkably, they have an extraordinary odd-even behavior of conductivity with the length increase. The rectification character and negative differential resistance of nonlinear current-voltage characteristics can be achieved by manipulating the type of contacts between boron nitride atomic chains bridges and electrodes. The junctions with asymmetric contacts have an intrinsic rectification, caused by stronger coupling in the C-N contact than the C-B contact. On the other hand, for symmetric contact junctions, it is confirmed that the transport properties of the junctions primarily depend on the nature of contacts. The junctions with symmetric C-N contacts have higher conductivity than their C-B contacts counterparts. Furthermore, the negative differential resistances of the junctions with only C-N contacts is very conspicuous and can be achieved at lower bias. PMID:27211110

  16. Implementation of Outstanding Electronic Transport in Polar Covalent Boron Nitride Atomic Chains: another Extraordinary Odd-Even Behaviour.

    PubMed

    Xu, Xiaodong; Li, Weiqi; Liu, Linhua; Feng, Jikang; Jiang, Yongyuan; Tian, Wei Quan

    2016-05-23

    A theoretical investigation of the unique electronic transport properties of the junctions composed of boron nitride atomic chains bridging symmetric graphene electrodes with point-contacts is executed through non-equilibrium Green's function technique in combination with density functional theory. Compared with carbon atomic chains, the boron nitride atomic chains have an alternative arrangement of polar covalent B-N bonds and different contacts coupling electrodes, showing some unusual properties in functional atomic electronic devices. Remarkably, they have an extraordinary odd-even behavior of conductivity with the length increase. The rectification character and negative differential resistance of nonlinear current-voltage characteristics can be achieved by manipulating the type of contacts between boron nitride atomic chains bridges and electrodes. The junctions with asymmetric contacts have an intrinsic rectification, caused by stronger coupling in the C-N contact than the C-B contact. On the other hand, for symmetric contact junctions, it is confirmed that the transport properties of the junctions primarily depend on the nature of contacts. The junctions with symmetric C-N contacts have higher conductivity than their C-B contacts counterparts. Furthermore, the negative differential resistances of the junctions with only C-N contacts is very conspicuous and can be achieved at lower bias.

  17. Loading effect of Ag/AgO on the photocatalytic performance of ZnO rods

    NASA Astrophysics Data System (ADS)

    Samsuddin, Aida Fitri; Aziz, Siti Nor Qurratu Aini Abd; Pung, Swee-Yong

    2017-01-01

    The photocatalytic performance of ZnO rods in degradation of Rhodamine B dye under UV light was improved by 7.3% via deposition of Ag/AgO using 1.0 × 10-3 g mL-1 of silver nitrate solution. However, its photodegradation efficiency decreased with the increase in silver nitrate concentration which was used to prepare the Ag/AgO-ZnO rods. This result suggests that the loading of Ag/AgO on the surface of ZnO rods affected the photocatalytic performance differently. The scavenger study indicates that the main reactive species responsible for the degradation of Rhodamine B dye by Ag-/AgO-deposited ZnO rods were holes, followed by superoxide anion free radicals, hydroxyl free radicals and electrons. Based on these findings, a refined photodegradation mechanism of Rhodamine B by Ag/AgO-ZnO rods is proposed.

  18. An Ab Initio Study of the Low-Lying Doublet States of AgO and AgS

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Partridge, Harry; Langhoff, Stephen R.

    1990-01-01

    Spectroscopic constants (D(sub o), r(sub e), mu(sub e), T(sub e)) are determined for the doublet states of AgO and AgS below approx. = 30000/cm. Large valence basis sets are employed in conjunction with relativistic effective core potentials (RECPs). Electron correlation is included using the modified coupled-pair functional (MCPF) and multireference configuration interaction (MRCI) methods. The A(sup 2)Sigma(sup +) - X(sup 2)Pi band system is found to occur in the near infrared (approx. = 9000/cm) and to be relatively weak with a radiative lifetime of 900 microns for A(sup 2)Sigma(sup +) (upsilon = 0). The weakly bound C(sup 2)Pi state (our notation), the upper state of the blue system, is found to require high levels of theoretical treatment to determine a quantitatively accurate potential. The red system is assigned as a transition from the C(sup 2)Pi state to the previously unobserved A(sup 2)Sigma(sup +) state. Several additional transitions are identified that should be detectable experimentally. A more limited study is performed for the vertical excitation spectrum of AgS. In addition, a detailed all-electron study of the X(sup 2)Pi and A(sup 2)Sigma(sup +) states of AgO is carried out using large atomic natural orbital (ANO) basis sets. Our best calculated D(sub o) value for AgO is significantly less than the experimental value, which suggests that there may be some systematic error in the experimental determination.

  19. Two-dimensional folded chain crystals composed of a single isotactic poly(methyl methacrylate) chain observed by atomic force microscopy

    NASA Astrophysics Data System (ADS)

    Kumaki, Jiro; Anzai, Takahiro

    2014-03-01

    We successfully visualized crystallization behavior of a single isolated polymer chain at a molecular level by atomic force microscopy (AFM). Previously, we found that isotactic poly(methyl methacrylate) (it-PMMA) formed two-dimensional folded chain crystals upon compression of its Langmuir monolayer on a water surface, and the molecular images of the crystals deposited on mica were clearly visualized by AFM (Kumaki, et al. JACS 2005, 127, 5788; J. Phys. Chem. B 2013, 117, 5594). In the present study, a high-molecular-weight it-PMMA was diluted in a monolayer of an it-PMMA oligomer which cannot crystallize due to the low molecular weight. At a low surface pressure, isolated amorphous chains of the high-molecular-weight it-PMMA solubilized in the oligomer monolayer were observed. On compression, the isolated chains converted to crystals composed of a single chain. Detailed AFM observations of the crystals indicated that the crystalline nuclei preferably formed at the ends of the chains, and the size of the nuclei was almost independent on the molecular weight of the it-PMMA in a wide range.

  20. Conductance and spin-filter effects of oxygen-incorporated Au, Cu, and Fe single-atom chains

    SciTech Connect

    Zheng, Xiaolong; Xie, Yi-Qun Ye, Xiang; Ke, San-Huang

    2015-01-28

    We studied the spin-polarized electron transport in oxygen-incorporated Au, Cu, and Fe single-atom chains (SACs) by first-principles calculations. We first investigated the mechanism responsible for the low conductance (<1G{sub 0}) of the Au and Cu SACs in an oxygen environment reported in recent experiments. We found that for the Au SACs, the low conductance plateau around 0.6G{sub 0} can be attributed to a distorted chain doped with a single oxygen atom, while the 0.1G{sub 0} conductance comes from a linear chain incorporated with an oxygen molecule and is caused by an antibonding state formed by oxygen's occupied frontier orbital with d{sub z} orbitals of adjacent Au atoms. For the Cu SACs, the conductance about 0.3G{sub 0} is ascribed to a special configuration that contains Cu and O atoms in an alternating sequence. This exhibits an even-odd conductance oscillation with an amplitude of ∼0.1G{sub 0}. In contrast, for the alternating Fe-O SACs, conductance overall decreases with an increase in O atoms and it approaches nearly zero for the chain with more than four O atoms. While the Cu-O SACs behave as perfect spin filters for one spin channel due to the half metallic nature, the Fe-O SACs can serve as perfect spin filters for two spin channels depending on the polarity of the applied gate voltage.

  1. Conformational change in an isolated single synthetic polymer chain on a mica surface observed by atomic force microscopy.

    PubMed

    Kumaki, Jiro; Hashimoto, Takeji

    2003-04-23

    The random coil conformation of an isolated conventional synthetic polymer chain was clearly imaged by atomic force microscopy (AFM). The sample used was a poly(styrene)-block-poly(methyl methacrylate) diblock copolymer. A very dilute solution of the copolymer with benzene was spread on a water surface. The structure thus formed on water was subsequently transferred and deposited onto mica at various surface pressures and observed under AFM. The AFM images obtained with films deposited at a low surface pressure (<0.1 mN/m) showed a single polystyrene (PS) block chain aggregated into a single PS particle with a single poly(methyl methacrylate) (PMMA) block chain emanating from the particle. Immediately after the deposition, the single PMMA block chain aggregated to form a condensed monolayer around the polystyrene particles. However, after exposing the deposited film to highly humid air for 1 day, the PMMA chains spread out so that the single PMMA block chain could be identified as a random coil on the substrate. The thin water layer formed on the mica substrate in humid air may enable the PMMA block chain to be mobilized on the substrate, leading to the conformational rearrangement from the condensed monolayer conformation to an expanded and elongated coil. The elongation of the PMMA chain was highly sensitive to the humidity; the maximum elongation was obtained at 79% relative humidity. The elongation was a slow process and took about 20 h.

  2. Reprint of Nonlinear vector waves of a flexural mode in a chain model of atomic particles

    NASA Astrophysics Data System (ADS)

    Nikitenkova, S. P.; Raj, N.; Stepanyants, Y. A.

    2015-04-01

    Flexural transverse waves in an anharmonic chain of atoms is considered and the nonlinear vector equation for the phonon modes in the long-wave approximation is derived taking into account the weak dispersion effects. Particular cases of the equation derived are discussed; among them the vector mKdV equation (Gorbacheva and Ostrovsky, 1983) [12], as well as the new model vector equations dubbed here the 'second order cubic Benjamin-Ono (socBO) equation' and 'nonlinear pseudo-diffusion equation'. Stationary solutions to the equation derived are studied and it is found in which cases physically reasonable periodic and solitary type solutions may exist. The simplest non-stationary interactions of solitary waves of different polarisation are studied by means of numerical simulation. A new interesting phenomenon is revealed when two solitons of the same or opposite polarities interact elastically, whereas the interaction of two solitons lying initially in the perpendicular planes is essentially inelastic resulting in the survival of only one soliton and destruction of another one.

  3. Nonlinear vector waves of a flexural mode in a chain model of atomic particles

    NASA Astrophysics Data System (ADS)

    Nikitenkova, S. P.; Raj, N.; Stepanyants, Y. A.

    2015-03-01

    Flexural transverse waves in an anharmonic chain of atoms is considered and the nonlinear vector equation for the phonon modes in the long-wave approximation is derived taking into account the weak dispersion effects. Particular cases of the equation derived are discussed; among them the vector mKdV equation (Gorbacheva and Ostrovsky, 1983) [12], as well as the new model vector equations dubbed here the 'second order cubic Benjamin-Ono (socBO) equation' and 'nonlinear pseudo-diffusion equation'. Stationary solutions to the equation derived are studied and it is found in which cases physically reasonable periodic and solitary type solutions may exist. The simplest non-stationary interactions of solitary waves of different polarisation are studied by means of numerical simulation. A new interesting phenomenon is revealed when two solitons of the same or opposite polarities interact elastically, whereas the interaction of two solitons lying initially in the perpendicular planes is essentially inelastic resulting in the survival of only one soliton and destruction of another one.

  4. Evidence for non-conservative current-induced forces in the breaking of Au and Pt atomic chains

    PubMed Central

    Sabater, Carlos; Untiedt, Carlos

    2015-01-01

    Summary This experimental work aims at probing current-induced forces at the atomic scale. Specifically it addresses predictions in recent work regarding the appearance of run-away modes as a result of a combined effect of the non-conservative wind force and a ‘Berry force’. The systems we consider here are atomic chains of Au and Pt atoms, for which we investigate the distribution of break down voltage values. We observe two distinct modes of breaking for Au atomic chains. The breaking at high voltage appears to behave as expected for regular break down by thermal excitation due to Joule heating. However, there is a low-voltage breaking mode that has characteristics expected for the mechanism of current-induced forces. Although a full comparison would require more detailed information on the individual atomic configurations, the systems we consider are very similar to those considered in recent model calculations and the comparison between experiment and theory is very encouraging for the interpretation we propose. PMID:26734525

  5. Evidence for non-conservative current-induced forces in the breaking of Au and Pt atomic chains.

    PubMed

    Sabater, Carlos; Untiedt, Carlos; van Ruitenbeek, Jan M

    2015-01-01

    This experimental work aims at probing current-induced forces at the atomic scale. Specifically it addresses predictions in recent work regarding the appearance of run-away modes as a result of a combined effect of the non-conservative wind force and a 'Berry force'. The systems we consider here are atomic chains of Au and Pt atoms, for which we investigate the distribution of break down voltage values. We observe two distinct modes of breaking for Au atomic chains. The breaking at high voltage appears to behave as expected for regular break down by thermal excitation due to Joule heating. However, there is a low-voltage breaking mode that has characteristics expected for the mechanism of current-induced forces. Although a full comparison would require more detailed information on the individual atomic configurations, the systems we consider are very similar to those considered in recent model calculations and the comparison between experiment and theory is very encouraging for the interpretation we propose.

  6. Dissociation energies of Ag–RG (RG = Ar, Kr, Xe) and AgO molecules from velocity map imaging studies

    SciTech Connect

    Cooper, Graham A.; Gentleman, Alexander S.; Iskra, Andreas; Wijk, Robert van; Mackenzie, Stuart R.; Kartouzian, Aras

    2015-09-28

    The near ultraviolet photodissociation dynamics of silver atom—rare gas dimers have been studied by velocity map imaging. Ag–RG (RG = Ar, Kr, Xe) species generated by laser ablation are excited in the region of the C ({sup 2}Σ{sup +})←X ({sup 2}Σ{sup +}) continuum leading to direct, near-threshold dissociation generating Ag* ({sup 2}P{sub 3/2}) + RG ({sup 1}S{sub 0}) products. Images recorded at excitation wavelengths throughout the C ({sup 2}Σ{sup +})←X ({sup 2}Σ{sup +}) continuum, coupled with known atomic energy levels, permit determination of the ground X ({sup 2}Σ{sup +}) state dissociation energies of 85.9 ± 23.4 cm{sup −1} (Ag–Ar), 149.3 ± 22.4 cm{sup −1} (Ag–Kr), and 256.3 ± 16.0 cm{sup −1} (Ag–Xe). Three additional photolysis processes, each yielding Ag atom photoproducts, are observed in the same spectral region. Two of these are markedly enhanced in intensity upon seeding the molecular beam with nitrous oxide, and are assigned to photodissociation of AgO at the two-photon level. These features yield an improved ground state dissociation energy for AgO of 15 965 ± 81 cm{sup −1}, which is in good agreement with high level calculations. The third process results in Ag atom fragments whose kinetic energy shows anomalously weak photon energy dependence and is assigned tentatively to dissociative ionization of the silver dimer Ag{sub 2}.

  7. Force spectroscopy of hyaluronan by atomic force microscopy: from hydrogen-bonded networks toward single-chain behavior.

    PubMed

    Giannotti, Marina I; Rinaudo, Marguerite; Vancso, G Julius

    2007-09-01

    The conformational behavior of hyaluronan (HA) polysaccharide chains in aqueous NaCl solution was characterized directly at the single-molecule level. This communication reports on one of the first single-chain atomic force microscopy (AFM) experiments performed at variable temperatures, investigating the influence of the temperature on the stability of the HA single-chain conformation. Through AFM single-molecule force spectroscopy, the temperature destabilization of a local structure was proven. This structure involved a hydrogen-bonded network along the polymeric chain, with hydrogen bonds between the polar groups of HA and possibly water, and a change from a nonrandom coil to a random coil behavior was observed when increasing the temperature from 29 +/- 1 to 46 +/- 1 degrees C. As a result of the applied force, this superstructure was found to break progressively at room temperature. The use of a hydrogen-bonding breaker solvent demonstrated the hydrogen-bonded water-bridged nature of the network structure of HA single chains in aqueous NaCl solution.

  8. Fourier Transform Spectroscopy of theA2Σ+-X2ΠiTransition of AgO

    NASA Astrophysics Data System (ADS)

    O'Brien, L. C.; Wall, S. J.; Sieber, M. K.

    1997-05-01

    TheA2Σ+-X2Πinear-infrared electronic transition of AgO was observed for the first time. The spectrum was recorded with the high resolution Fourier transform spectrometer associated with the McMath-Pierce Solar Telescope at Kitt Peak. The excited AgO molecules were produced in a low pressure silver hollow cathode sputter source. Constants for theA2Σ+state of107AgO and109AgO and improvedX2Πiconstants for107AgO and109AgO are presented. These two states are not a unique perturber pair and they do not follow the pure precession model.

  9. Membrane protein simulations with a united-atom lipid and all-atom protein model: lipid protein interactions, side chain transfer free energies and model proteins

    NASA Astrophysics Data System (ADS)

    Tieleman, D. Peter; MacCallum, Justin L.; Ash, Walter L.; Kandt, Christian; Xu, Zhitao; Monticelli, Luca

    2006-07-01

    We have reparameterized the dihedral parameters in a commonly used united-atom lipid force field so that they can be used with the all-atom OPLS force field for proteins implemented in the molecular dynamics simulation software GROMACS. Simulations with this new combination give stable trajectories and sensible behaviour of both lipids and protein. We have calculated the free energy of transfer of amino acid side chains between water and 'lipid-cyclohexane', made of lipid force field methylene groups, as a hydrophobic mimic of the membrane interior, for both the OPLS-AA and a modified OPLS-AA force field which gives better hydration free energies under simulation conditions close to those preferred for the lipid force field. The average error is 4.3 kJ mol-1 for water-'lipid-cyclohexane' compared to 3.2 kJ mol-1 for OPLS-AA cyclohexane and 2.4 kJ mol-1 for the modified OPLS-AA water-'lipid-cyclohexane'. We have also investigated the effect of different methods to combine parameters between the united-atom lipid force field and the united-atom protein force field ffgmx. In a widely used combination, the strength of interactions between hydrocarbon lipid tails and proteins is significantly overestimated, causing a decrease in the area per lipid and an increase in lipid ordering. Using straight combination rules improves the results. Combined, we suggest that using OPLS-AA together with the united-atom lipid force field implemented in GROMACS is a reasonable approach to membrane protein simulations. We also suggest that using partial volume information and free energies of transfer may help to improve the parameterization of lipid-protein interactions and point out the need for accurate experimental data to validate and improve force field descriptions of such interactions.

  10. Membrane protein simulations with a united-atom lipid and all-atom protein model: lipid-protein interactions, side chain transfer free energies and model proteins.

    PubMed

    Tieleman, D Peter; Maccallum, Justin L; Ash, Walter L; Kandt, Christian; Xu, Zhitao; Monticelli, Luca

    2006-07-19

    We have reparameterized the dihedral parameters in a commonly used united-atom lipid force field so that they can be used with the all-atom OPLS force field for proteins implemented in the molecular dynamics simulation software GROMACS. Simulations with this new combination give stable trajectories and sensible behaviour of both lipids and protein. We have calculated the free energy of transfer of amino acid side chains between water and 'lipid-cyclohexane', made of lipid force field methylene groups, as a hydrophobic mimic of the membrane interior, for both the OPLS-AA and a modified OPLS-AA force field which gives better hydration free energies under simulation conditions close to those preferred for the lipid force field. The average error is 4.3 kJ mol(-1) for water-'lipid-cyclohexane' compared to 3.2 kJ mol(-1) for OPLS-AA cyclohexane and 2.4 kJ mol(-1) for the modified OPLS-AA water-'lipid-cyclohexane'. We have also investigated the effect of different methods to combine parameters between the united-atom lipid force field and the united-atom protein force field ffgmx. In a widely used combination, the strength of interactions between hydrocarbon lipid tails and proteins is significantly overestimated, causing a decrease in the area per lipid and an increase in lipid ordering. Using straight combination rules improves the results. Combined, we suggest that using OPLS-AA together with the united-atom lipid force field implemented in GROMACS is a reasonable approach to membrane protein simulations. We also suggest that using partial volume information and free energies of transfer may help to improve the parameterization of lipid-protein interactions and point out the need for accurate experimental data to validate and improve force field descriptions of such interactions.

  11. Preserved Kondo effect of small cobalt atomic chains on Ru(0001) surface

    NASA Astrophysics Data System (ADS)

    Feng, Wei; Liu, Qin; Zhou, Chunsheng; Lai, Xinchun; Li, Bin; Zhao, Aidi

    2016-12-01

    The evolution of the Kondo effect from a cobalt monomer to a compact dimer, a linear trimer and then a triangular trimer on Ru(0001) surface was studied by atomic manipulation and scanning tunneling spectroscopy (STS). It is found that the Kondo resonances of a compact Co dimer and linear trimer still can be detected in their STS because of the weak ferromagnetic exchange interaction between the Co atoms. However, when the number of the nearest-neighbors for every Co atom in the compact Co clusters is larger than one, for the interaction between Co atoms enter into the regime of the strong ferromagnetic exchange interaction, the Kondo resonance disappear and a new state forms.

  12. Comparative Study on Effects of Armchair and Zigzag Graphene Electrodes on Ballistic Transport through C Atomic Chain

    NASA Astrophysics Data System (ADS)

    Ambavale, S. K.; Sharma, A. C.

    2011-07-01

    We performed theoretical investigations on electronic transport through carbon atomic chain (CAC) attached to relaxed armchair graphene (ACG) and zigzag graphene (ZZG) electrodes with the use of scattering state formalism implemented in PWSCF code of Quantum Espresso package. Our computed results show that the equilibrium conductance of CAC attached to ZZG-electrodes tends to zero over a wide energy range covering Fermi energy. Similar behavior of conductance is not seen when ZZG electrodes are replaced by ACG electrodes. CAC connected to ACG electrode is found better conducting as compared to CAC connected to ZZG electrode.

  13. AgO investigated by photoelectron spectroscopy: Evidence for mixed valence

    NASA Astrophysics Data System (ADS)

    Bielmann, M.; Schwaller, P.; Ruffieux, P.; Gröning, O.; Schlapbach, L.; Gröning, P.

    2002-06-01

    We present photoelectron spectroscopy investigations of in-situ prepared AgO. The sample was prepared by room temperature oxidation of Ag in an electron cyclotron resonance O2 plasma. In contrast to other measurements based on ex situ prepared AgO powder samples, our investigations show a distinct double peak structure of the O 1s signal with a remarkable chemical shift of 2.9 eV between the two O 1s components. These two components can not be motivated from a crystallographic point of view as the oxygen sites are all equivalent in the unit cell. We interpret this double peak structure as a characteristic feature of AgO and discuss it in terms of mixed valences.

  14. Spin relaxation signature of colossal magnetic anisotropy in platinum atomic chains

    NASA Astrophysics Data System (ADS)

    Bergman, Anders; Hellsvik, Johan; Bessarab, Pavel F.; Delin, Anna

    2016-11-01

    Recent experimental data demonstrate emerging magnetic order in platinum atomically thin nanowires. Furthermore, an unusual form of magnetic anisotropy - colossal magnetic anisotropy (CMA) - was earlier predicted to exist in atomically thin platinum nanowires. Using spin dynamics simulations based on first-principles calculations, we here explore the spin dynamics of atomically thin platinum wires to reveal the spin relaxation signature of colossal magnetic anisotropy, comparing it with other types of anisotropy such as uniaxial magnetic anisotropy (UMA). We find that the CMA alters the spin relaxation process distinctly and, most importantly, causes a large speed-up of the magnetic relaxation compared to uniaxial magnetic anisotropy. The magnetic behavior of the nanowire exhibiting CMA should be possible to identify experimentally at the nanosecond time scale for temperatures below 5 K. This time-scale is accessible in e.g., soft x-ray free electron laser experiments.

  15. Spin relaxation signature of colossal magnetic anisotropy in platinum atomic chains

    PubMed Central

    Bergman, Anders; Hellsvik, Johan; Bessarab, Pavel F.; Delin, Anna

    2016-01-01

    Recent experimental data demonstrate emerging magnetic order in platinum atomically thin nanowires. Furthermore, an unusual form of magnetic anisotropy – colossal magnetic anisotropy (CMA) – was earlier predicted to exist in atomically thin platinum nanowires. Using spin dynamics simulations based on first-principles calculations, we here explore the spin dynamics of atomically thin platinum wires to reveal the spin relaxation signature of colossal magnetic anisotropy, comparing it with other types of anisotropy such as uniaxial magnetic anisotropy (UMA). We find that the CMA alters the spin relaxation process distinctly and, most importantly, causes a large speed-up of the magnetic relaxation compared to uniaxial magnetic anisotropy. The magnetic behavior of the nanowire exhibiting CMA should be possible to identify experimentally at the nanosecond time scale for temperatures below 5 K. This time-scale is accessible in e.g., soft x-ray free electron laser experiments. PMID:27841287

  16. Mitigating valley-driven localization in atomically thin dopant chains in Si

    NASA Astrophysics Data System (ADS)

    Dusko, Amintor; Saraiva, A. L.; Koiller, Belita

    2016-09-01

    A theoretical study of the localization properties of nanowires of dopants in silicon (Si) fabricated by ionic implantation or scanning tunnel microscope lithography is presented for a model incorporating the currently unavoidable imprecision in individual donor positioning. Experiments have shown that Ohm's law holds in some cases, in apparent defiance to the Anderson localization theory in one dimension. We investigate how valley interference affects the traditional theory of electronic structure of disordered systems. Each isolated donor orbital is realistically described by multivalley effective-mass theory. We extend this model to describe chains of donors as a linear combination of dopant orbitals. Disorder in donor positioning is taken into account, leading to an intricate disorder distribution of hoppings between nearest-neighbor donor sites (donor-donor tunnel coupling)—an effect of valley interference. A decay length, related to the usual localization length, is obtained for phosphorous (P) donor chains from a transfer-matrix approach and is further compared with the chain length. We quantitatively determine the impact of uncertainties δ R in the implantation position relative to a target and also compare our results with those obtained without valley interference. We analyze systematically the aimed interdonor separation dependence (R0) and show that fairly diluted donor chains (R0=7.7 nm) may be as long as 100 nm before the effective onset of Anderson localization, as long as the positioning error is under a lattice parameter (δ R <0.543 nm).

  17. Aging characteristics of AgO in silver-zinc battery

    NASA Astrophysics Data System (ADS)

    Ho, Kenneth K.

    A brief review of the properties of chemically prepared AgO positive electrodes is presented. It is shown that the degradation rate of Ag-positive plate material is moisture- and temperature-dependent. These factors can be controlled by special handling, including the institution of a proper quality assurance program.

  18. All-atom molecular dynamics study of EAK16 peptide: the effect of pH on single-chain conformation, dimerization and self-assembly behavior.

    PubMed

    Emamyari, Soheila; Fazli, Hossein

    2014-05-01

    Single-chain equilibrium conformation and dimerization of the three types of ionic EAK16 peptide are studied under three pH conditions using all-atom molecular dynamics simulations. It is found that both the single-chain conformation and the dimerization process of EAK16-IV are considerably different from those of the two other types, EAK16-I and EAK16-II. The value of pH is found to have a stronger effect on the single-chain conformation and dimerization of EAK16-IV. It is shown that in addition to the charge pattern on the peptide chains, the size of the side chains of the charged amino acids plays role in the conformation of the peptide chains and their dimerization. The results shed light on the pH-dependent self-assembly behavior of EAK16 peptide in the bulk solution, which has been reported in the literature.

  19. Effects of carbon atom parity and alkyl side chain length on the crystallization and morphology of biscarbamates, a set of model compounds for polyurethanes.

    PubMed

    Khan, Mostofa Kamal; Sundararajan, Pudupadi R

    2011-07-14

    Solid state morphology and crystallization behavior of a homologous series of biscarbamate molecules having varying alkyl side chain lengths with different carbon atom parity were investigated. These are model compounds for polyurethanes. We synthesized a set of biscarbamates with double hydrogen bonding motifs separated by a (CH(2))(6) spacer and with alkyl side chains of various lengths ranging from C(3) to C(18) at the ends. Thermal analysis showed an odd-even alternation in their melting temperatures and heats of fusion, with the odd number of carbon atoms in the side chain having higher melting temperatures and heats of fusion than the even numbered ones, in contrast to the case of n-alkanes. The effect of carbon atom parity in the alkyl side chains on the spherulite size, spherulite growth rate, and isothermal crystallization kinetics was studied. Although the spherulite size increases with the alkyl side chain length, the maximum is seen at an intermediate length and not with a short or long alkyl chain for both the odd and even series. Along this series of molecules, a maximum in spherulite size, spherulite growth rate, and rate of crystallization is seen for C(7)C(6) (odd series) and C(8)C(6) (even series) biscarbamates. There is a significant difference in spherulite size with respect to carbon atom parity in the alkyl side chains as well as sample preparation protocol. Hence the length of the alkyl side chain, carbon atom parity in the alkyl side chains, and the sample preparation protocol (i.e., quenching versus slow cooling) play an important role in the morphology of these molecules. We rationalize this behavior with the relative contributions of hydrogen bonding and van der Waals forces as discerned from IR spectroscopy. While the van der Waals interaction increases with the alkyl side chain length in this series, the hydrogen bond contribution remains invariant. The rate of crystallization follows the trend seen with the spherulitic growth. The

  20. Molybdoenzyme That Catalyzes the Anaerobic Hydroxylation of a Tertiary Carbon Atom in the Side Chain of Cholesterol*

    PubMed Central

    Dermer, Juri; Fuchs, Georg

    2012-01-01

    Cholesterol is a ubiquitous hydrocarbon compound that can serve as substrate for microbial growth. This steroid and related cyclic compounds are recalcitrant due to their low solubility in water, complex ring structure, the presence of quaternary carbon atoms, and the low number of functional groups. Aerobic metabolism therefore makes use of reactive molecular oxygen as co-substrate of oxygenases to hydroxylate and cleave the sterane ring system. Consequently, anaerobic metabolism must substitute oxygenase-catalyzed steps by O2-independent hydroxylases. Here we show that one of the initial reactions of anaerobic cholesterol metabolism in the β-proteobacterium Sterolibacterium denitrificans is catalyzed by an unprecedented enzyme that hydroxylates the tertiary C25 atom of the side chain without molecular oxygen forming a tertiary alcohol. This steroid C25 dehydrogenase belongs to the dimethyl sulfoxide dehydrogenase molybdoenzyme family, the closest relative being ethylbenzene dehydrogenase. It is a heterotrimer, which is probably located at the periplasmic side of the membrane and contains one molybdenum cofactor, five [Fe-S] clusters, and one heme b. The draft genome of the organism contains several genes coding for related enzymes that probably replace oxygenases in steroid metabolism. PMID:22942275

  1. Fractional Quantum Hall Effects for Bosonic Atoms in a Chain of Rotating Traps

    NASA Astrophysics Data System (ADS)

    Zhao, Jianshi; Jacome, Louis; Gemelke, Nathan

    2015-05-01

    Fractional quantum Hall (FQH) physics familiar from two-dimensional electron systems has also been predicted to appear in a gas of interacting bosons that are confined to a rapidly rotating trap. Due to the emergent gauge physics, such states exhibit novel properties, including excitations with fractionalized mass and statistics. In this talk, we consider an experimental strategy of creating many FQH samples along a chain of lattice sites, coupled together via tunneling. We calculate a mean-field phase diagram and derive an effective field theory to describe this system and find that it supports novel insulator and superfluid states with localized FQH behavior. The coarse structure of the phase diagram and transport properties near phase transitions reveal novel properties of excitations in the parent FQH states, and exhibit new observable relations between thermodynamic quantities such as compressibility and moment of inertia attributable to topological constraints. We describe experimental pathways to create such states and extract new smoking gun signatures of FQH physics. Supported by NSF Grant No. PHY-1068570.

  2. Wave propagation in nonlinear metamaterial multi-atomic chains based on homotopy method

    NASA Astrophysics Data System (ADS)

    Fang, Xin; Wen, Jihong; Yin, Jianfei; Yu, Dianlong

    2016-12-01

    This paper studies the dispersion properties and wave propagation in the tetratomic nonlinear acoustic metamaterial chain based on the homotopy analysis method (HAM). We perform a comparison between HAM and Perturbation approach, harmonic balance method (HBM) and equivalent method. Results indicate that HAM can filter the unstable multiple periodic solutions fined by HBM and be more accurate. The succinct equivalent formulas can estimate the bandgaps. There is a limit of the dispersion solution when the nonlinearity tends to infinity. Analyses demonstrate that the energy dispersion in spectrum replaces the linear energy localization because of the hyperchaos that is induced by period-doubling bifurcations. The hyper-chaotic phenomena are demonstrated with frequency spectra, bifurcation diagram and Lyapunov Exponents. This paper further proves the chaotic bands can significantly expand the bandwidth for wave suppression. Enhancing the nonlinearity will vary the behavior of nonlinear bandgaps from independent state to coupling state and then experience a transition. Approaches to manipulate bands are elucidated. The strong nonlinearity is beneficial to expand the total width about 6 times. Moreover, lightweight, low-frequency and broadband characteristics are compatible so can be achieved simultaneously for nonlinear acoustic metamaterial.

  3. Chain-branching control of the atomic structure of alkanethiol-based gold-sulfur interfaces.

    PubMed

    Wang, Yun; Chi, Qijin; Zhang, Jingdong; Hush, Noel S; Reimers, Jeffrey R; Ulstrup, Jens

    2011-09-28

    Density functional theory structure calculations at 0 K and simulations at 300 K of observed high-resolution in situ scanning tunneling microscopy (STM) images reveal three different atomic-interface structures for the self-assembled monolayers (SAMs) of three isomeric butanethiols on Au(111): direct binding to the Au(111) surface without pitting, binding to adatoms above a regular surface with extensive pitting, and binding to adatoms with local surface vacancies and some pitting. Thermal motions are shown to produce some observed STM features, with a very tight energy balance controlling the observed structures. Variation of the degree of substitution on the α carbon is found to significantly change the relative energies for interaction of the different types of adatom structures with the surface, while the nature of the surface cell, controlled primarily by inter-adsorbate steric interactions, controls substrate reorganization energies and adsorbate distortion energies. Most significantly, by manipulating these features, chemical control of the adsorbate can produce stable interfaces with surface pitting eliminated, providing new perspectives for technological applications of SAMs.

  4. Inversion of the stereochemistry around the sulfur atom of the axial methionine side chain through alteration of amino acid side chain packing in Hydrogenobacter thermophilus cytochrome C552 and its functional consequences.

    PubMed

    Tai, Hulin; Tonegawa, Ken; Shibata, Tomokazu; Hemmi, Hikaru; Kobayashi, Nagao; Yamamoto, Yasuhiko

    2013-07-16

    In cytochrome c, the coordination of the axial Met Sδ atom to the heme Fe atom occurs in one of two distinctly different stereochemical manners, i.e., R and S configurations, depending upon which of the two lone pairs of the Sδ atom is involved in the bond; hence, the Fe-coordinated Sδ atom becomes a chiral center. In this study, we demonstrated that an alteration of amino acid side chain packing induced by the mutation of a single amino acid residue, i.e., the A73V mutation, in Hydrogenobacter thermophilus cytochrome c552 (HT) forces the inversion of the stereochemistry around the Sδ atom from the R configuration [Travaglini-Allocatelli, C., et al. (2005) J. Biol. Chem. 280, 25729-25734] to the S configuration. Functional comparison between the wild-type HT and the A73V mutant possessing the R and S configurations as to the stereochemistry around the Sδ atom, respectively, demonstrated that the redox potential (Em) of the mutant at pH 6.00 and 25 °C exhibited a positive shift of ∼20 mV relative to that of the wild-type HT, i.e., 245 mV, in an entropic manner. Because these two proteins have similar enthalpically stabilizing interactions, the difference in the entropic contribution to the Em value between them is likely to be due to the effect of the conformational alteration of the axial Met side chain associated with the inversion of the stereochemistry around the Sδ atom due to the effect of mutation on the internal mobility of the loop bearing the axial Met. Thus, the present study demonstrated that the internal mobility of the loop bearing the axial Met, relevant to entropic control of the redox function of the protein, is affected quite sensitively by the contextual stereochemical packing of amino acid side chains in the proximity of the axial Met.

  5. An atomic finite element model for biodegradable polymers. Part 2. A model for change in Young's modulus due to polymer chain scission.

    PubMed

    Gleadall, Andrew; Pan, Jingzhe; Kruft, Marc-Anton

    2015-11-01

    Atomic simulations were undertaken to analyse the effect of polymer chain scission on amorphous poly(lactide) during degradation. Many experimental studies have analysed mechanical properties degradation but relatively few computation studies have been conducted. Such studies are valuable for supporting the design of bioresorbable medical devices. Hence in this paper, an Effective Cavity Theory for the degradation of Young's modulus was developed. Atomic simulations indicated that a volume of reduced-stiffness polymer may exist around chain scissions. In the Effective Cavity Theory, each chain scission is considered to instantiate an effective cavity. Finite Element Analysis simulations were conducted to model the effect of the cavities on Young's modulus. Since polymer crystallinity affects mechanical properties, the effect of increases in crystallinity during degradation on Young's modulus is also considered. To demonstrate the ability of the Effective Cavity Theory, it was fitted to several sets of experimental data for Young's modulus in the literature.

  6. Surface effects on the mechanical elongation of AuCu nanowires: De-alloying and the formation of mixed suspended atomic chains

    SciTech Connect

    Lagos, M. J.; Autreto, P. A. S.; Galvao, D. S. Ugarte, D.; Bettini, J.; Sato, F.; Dantas, S. O.

    2015-03-07

    We report here an atomistic study of the mechanical deformation of Au{sub x}Cu{sub (1−x)} atomic-size wires (nanowires (NWs)) by means of high resolution transmission electron microscopy experiments. Molecular dynamics simulations were also carried out in order to obtain deeper insights on the dynamical properties of stretched NWs. The mechanical properties are significantly dependent on the chemical composition that evolves in time at the junction; some structures exhibit a remarkable de-alloying behavior. Also, our results represent the first experimental realization of mixed linear atomic chains (LACs) among transition and noble metals; in particular, surface energies induce chemical gradients on NW surfaces that can be exploited to control the relative LAC compositions (different number of gold and copper atoms). The implications of these results for nanocatalysis and spin transport of one-atom-thick metal wires are addressed.

  7. Analytic study of the chain dark decomposition reaction of iodides - atomic iodine donors - in the active medium of a pulsed chemical oxygen-iodine laser: 2. Limiting parameters of the branching chain dark decomposition reaction of iodides

    SciTech Connect

    Andreeva, Tamara L; Kuznetsova, S V; Maslov, Aleksandr I; Sorokin, Vadim N

    2009-08-31

    The final stages in the development of a branching chain decomposition reaction of iodide in the active medium of a pulsed chemical oxygen-iodine laser (COIL) are analysed. Approximate expressions are derived to calculate the limiting parameters of the chain reaction: the final degree of iodide decomposition, the maximum concentration of excited iodine atoms, the time of its achievement, and concentrations of singlet oxygen and iodide at that moment. The limiting parameters, calculated by using these expressions for a typical composition of the active medium of a pulsed COIL, well coincide with the results of numerical calculations. (active media)

  8. Extended metal-atom chains with an inert second row transition metal: [Ru5(mu5-tpda)4X2] (tpda2- = tripyridyldiamido dianion, X = Cl and NCS).

    PubMed

    Yin, Caixia; Huang, Gin-Chen; Kuo, Ching-Kuo; Fu, Ming-Dung; Lu, Hao-Cheng; Ke, Jhih-Hong; Shih, Kai-Neng; Huang, Yi-Lin; Lee, Gene-Hsiang; Yeh, Chen-Yu; Chen, Chun-hsien; Peng, Shie-Ming

    2008-08-06

    EMACs (extended metal-atom chains) offer a unique platform for the exploration of metal-metal interactions. There has been significant advances on the synthesis of EMACs, such as lengthening the chains up to 11 metal atoms thus far, integrating naphthyridine moieties for tuning the charge carried at metal centers, and manipulation of metal-metal interactions. However, the metal centers in EMACs hitherto are limited to first row transition metals which are more labile than those relatively inert ones with electrons filled in the 4d and 5d shells. In this Communication, the synthesis, crystallographic, magnetic, and electrical conducting studies of [Ru5(mu5-tpda)4Cl2] and [Ru5(mu5-tpda)4(NCS)2], the first pentanuclear EMACs of second-row transition metal, are reported.

  9. Assessing the viability of extended nonmetal atom chains in M(n)F(4n+2) (M=S and Se).

    PubMed

    Popov, Ivan A; Averkiev, Boris B; Starikova, Alyona A; Boldyrev, Alexander I; Minyaev, Ruslan M; Minkin, Vladimir I

    2015-01-26

    Theoretical investigations to evaluate the viability of extended nonmetal atom chains on the basis of molecular models with the general formula Mn F4n+2 (M=S and Se) and corresponding solid-state systems exhibiting direct SS or SeSe bonding were performed. The proposed high-symmetry molecules were found to be minima on the potential energy surface for all Sn F4n+2 systems studied (n=2-9) and for selenium analogues up to n=6. Phonon calculations of periodic structures confirmed the dynamic stability of the -(SF4 -SF4 )∞ - chain, whereas the analogous -(SeF4 -SeF4 )∞ - chain was found to have a number of imaginary phonon frequencies. Chemical bonding analysis of the dynamically stable -(SF4 -SF4 )∞ - structure revealed a multicenter character of the SS and SF bonds. A novel definition and abbreviation (ENAC) are proposed by analogy with extended metal atom chain (EMAC) complexes.

  10. Chain structures of surface hydroxyl groups formed via line oxygen vacancies on TiO2(110) surfaces studied using noncontact atomic force microscopy.

    PubMed

    Namai, Yoshimichi; Matsuoka, Osamu

    2005-12-22

    Structures of surface hydroxyl groups arranged on a reduced TiO2(110) surface that had line oxygen vacancies were studied using noncontact atomic force microscopy (NC-AFM). NC-AFM results revealed that by increasing the density of oxygen vacancies on the TiO2(110) surface, line oxygen vacancies were formed by removal of oxygen atoms in a bridge oxygen row on the TiO2(110) surface. After the TiO2(110) surface with the line oxygen vacancies was exposed to water, the surface showed hydroxyl chain structures that were composed of hydroxyl groups linearly arranged in a form of two rows on the line oxygen vacancies and on a neighboring bridge oxygen row. In-situ NC-AFM measurements of these surfaces exposed to water at room temperature revealed that hydroxyl chain structures were formed at the line oxygen vacancy. Annealing above 500 K was sufficient to remove the hydroxyl chain structures on the TiO2(110) surface and allowed line oxygen vacancies to reappear on the surface. The line oxygen vacancies are active sites for water dissociation. In conclusion, the formation of the hydroxyl chain structure suggests that the surface hydroxyl groups on a TiO2(110) surface can be controlled by preparing oxygen vacancy structures on the surface.

  11. Stoichiometric and sodium-doped titanium silicate molecular sieve containing atomically defined -OTiOTiO- chains: Quantum ab initio calculations, spectroscopic properties, and reactivity

    NASA Astrophysics Data System (ADS)

    Bordiga, S.; Turnes Palomino, G.; Zecchina, A.; Ranghino, G.; Giamello, E.; Lamberti, C.

    2000-02-01

    Ab initio calculations on a linear -OTiOTiO- chain embedded in an envelope of (SiO4) tetrahedra, mimicking the structure of Na2TiSi5O13 molecular sieve (ETS-10), confirm that the peculiar optical properties of the solid are associated with the presence of -OTiOTiO- linear chains behaving as quantum wires. The optical [in the UV-Vis (ultraviolet-range)] and the magnetic [(ESR) electron spin resonance] properties of these chains can be modified by adsorbing Na vapors. The sodium atoms diffusing into the channels undergo a ionization process with formation of Na+ (localized in the main channels) and Ti3+ (in the -OTiOTiO- chain, which so becomes a nonstoichiometric wire) characterized by Ti/Na ratios in the 2-4 range. Successive adsorption of oxygen at room temperature leads to the partial (Ti/Na˜2) or total (Ti/Na˜4) restoration of the chain stoichiometry and to the predominant formation of sodium oxide. The formation of a minor fraction of superoxide negative ions whose magnetic properties are revealed by ESR spectroscopy is also observed. Total restoration of the optical properties of the original samples is always obtained when the oxygen adsorption is made at 473 K. The sample keeps its structural integrity during the reduction and successive oxidation process.

  12. Study of the atom-phonon coupling model for (SC) partition function: first order phase transition for an infinite linear chain

    NASA Astrophysics Data System (ADS)

    Nasser, Jamil A.; Chassagne, Luc; Topçu, Suat; Linares, Jorge; Alayli, Yasser

    2014-03-01

    In spin-conversion (SC) compounds containing molecules organized around an iron (II) ion the fundamental level of the ion is low spin (LS), S = 0, and its first excited one is high spin (HS), S = 2. This energy diagram is due to the ligands field interaction on 3d electrons and to the spin pairing energy. Heating the compound increases the magnetic susceptibility which corresponds to a change of populations of both levels and consequently a change of spin value of the molecules. This mechanism, called spin conversion (SC), can be accompagnied by thermal hysteresis observed by studying magnetic susceptibility or high spin fraction. In that case one considers that the (SC) takes place through a first-order phase transition due to intermolecular interactions. In the atom-phonon coupling model the molecules are considered as two-level systems, or two-level atoms, and it is assumed that the elastic force constant value of the spring which links two atoms first neighbours is depending on the electronic states of both atoms. In this study we calculate the partition function of a linear chain of N atoms (N ≤ 16) and we describe the role of phonons and that of the parameter Δ which corresponds to the distance in energy between both levels. The chain free-energy function is Fatph. We introduce for the chain a free-energy function defined by the set (FHS, FLS, Fbarr) and we show that Fatph tends towards the previous set when N → ∞. The previous set allows to describe a first order phase transition between a (LS) phase and a (HS) one. At the crossing point between the function FLS and FHS, and around this point, there is an intermediate free-energy barrier which prevents the chain to change phase which can lead to thermal hysteresis. The energy gap between the free-energy function Fatph and that defined by the set (FHS, FLS, Fbarr) is small. So we can expect that a nanoparticule takes for free-energy function that defined by the set and then displays a thermal

  13. Electron correlation in extended systems: Fourth-order many-body perturbation theory and density-functional methods applied to an infinite chain of hydrogen atoms

    NASA Astrophysics Data System (ADS)

    Suhai, Sándor

    1994-11-01

    Linear equidistant and bond-alternating infinite chains of hydrogen atoms have been investigated by the ab initio crystal-orbital method at the Hartree-Fock (HF) level, by including electron correlation up to the complete fourth order of the Mo/ller-Plesset perturbation theory (MP4-PT), and by using different versions of density-functional theory (DFT). The Bloch functions have been expanded in all cases in a series of high-quality atomic-orbital basis sets and complemented by extended sets of polarization functions up to 6s3p2d1f per H atom. In order to compare the performance of the PT and DFT methods, several physical properties have been computed at all theoretical levels including lattice geometry, cohesive energy, mechanisms of bond alternation (Peierls instability), and energetic features of nonequilibrium configurations (dissociation). For these latter quantities, both spin-restricted (RHF) and unrestricted (UHF) wave functions have been employed in all orders of PT. The methods described have been used parallel to infinite chains and to the H2 molecule, to be able to check their accuracy on experiments. In the case of the DFT, six different functionals (combining Slater and Becke exchange with local and gradient-corrected correlation potentials) have been utilized to test their accuracy in comparison with the MP4 results.

  14. AgH, Ag/sub 2/, and AgO revisited: Basis set extensions

    SciTech Connect

    Martin, R.L.

    1987-05-01

    An extended basis set has been developed for Ag which significantly improves the agreement between theoretical and experimental spectroscopic parameters for AgH, AgO, and Ag/sub 2/. The major improvement comes about as a result of the improved treatment of electron correlation in the Ag d shell upon the introduction of f functions. Their inclusion produces very slight differences at the SCF level, but significant reductions in r/sub e/ and increases in ..omega../sub e/ and D/sub e/ in the Mo-dash-barller--Plesset perturbation theory expansion. At the MP4(SDTQ) level, typical results are 0.02 A too long for r/sub e/, 4% too low for ..omega../sub e/, and 10 kcal too small for D/sub e/. From a pragmatic standpoint, MP2 give results very similar to this at a much reduced level of effort.

  15. Fast atoms and negative chain-cluster fragments from laser-induced Coulomb explosions in a super-fluid film of ultra-dense deuterium D(-1)

    NASA Astrophysics Data System (ADS)

    Andersson, Patrik U.; Holmlid, Leif

    2012-10-01

    Fragments from laser-induced Coulomb explosions (CE) in a thin super-fluid film of ultra-dense deuterium D(-1) on a vertical surface are now observed by both negative and positive time-of-flight mass spectrometry. The so-called normal phase of the super-fluid is probably associated with D4 clusters and gives only neutral atomic fragments with a kinetic energy from the CE of 945 eV. The super-fluid phase is associated with long chain clusters D2N with N deuteron pairs and gives cluster fragments by CE mainly with a kinetic energy of 315 eV from the central cleavage in a neutral, positive or negative form. This indicates that the chain clusters are standing perpendicularly to the surface. The fragment charge state is influenced by the external field, which indicates efficient charge transfer processes.

  16. Solvothermal Preparation of ZnO Nanorods as Anode Material for Improved Cycle Life Zn/AgO Batteries

    PubMed Central

    Ullah, Shafiq; Ahmed, Fiaz; Badshah, Amin; Ali Altaf, Ataf; Raza, Ramsha; Lal, Bhajan; Hussain, Rizwan

    2013-01-01

    Nano materials with high surface area increase the kinetics and extent of the redox reactions, thus resulting in high power and energy densities. In this study high surface area zinc oxide nanorods have been synthesized by surfactant free ethylene glycol assisted solvothermal method. The nanorods thus prepared have diameters in the submicron range (300∼500 nm) with high aspect ratio. They have uniform geometry and well aligned direction. These nanorods are characterized by XRD, SEM, Specific Surface Area Analysis, solubility in alkaline medium, EDX analysis and galvanostatic charge/discharge studies in Zn/AgO batteries. The prepared zinc oxide nanorods have low solubility in alkaline medium with higher structural stability, which imparts the improved cycle life stability to Zn/AgO cells. PMID:24146807

  17. Solvothermal preparation of ZnO nanorods as anode material for improved cycle life Zn/AgO batteries.

    PubMed

    Ullah, Shafiq; Ahmed, Fiaz; Badshah, Amin; Ali Altaf, Ataf; Raza, Ramsha; Lal, Bhajan; Hussain, Rizwan

    2013-01-01

    Nano materials with high surface area increase the kinetics and extent of the redox reactions, thus resulting in high power and energy densities. In this study high surface area zinc oxide nanorods have been synthesized by surfactant free ethylene glycol assisted solvothermal method. The nanorods thus prepared have diameters in the submicron range (300 ~ 500 nm) with high aspect ratio. They have uniform geometry and well aligned direction. These nanorods are characterized by XRD, SEM, Specific Surface Area Analysis, solubility in alkaline medium, EDX analysis and galvanostatic charge/discharge studies in Zn/AgO batteries. The prepared zinc oxide nanorods have low solubility in alkaline medium with higher structural stability, which imparts the improved cycle life stability to Zn/AgO cells.

  18. Towards a low-spin configuration in extended metal atom chains. Theoretical study of trimetallic systems with 22 metal electrons.

    PubMed

    Tabookht, Zahra; de Graaf, Coen; López, Xavier

    2012-01-14

    Different electronic configurations of a series of trinuclear heterometallic chains with 22 metallic electrons, MM'M(dpa)(4)X(2) (M = Co, Rh; M' = Ni, Pd; X = Cl, NCS), have been modelled in search of new systems with novel electrical properties. For this purpose, we explore the possibility of obtaining low-spin (extensively closed-shell) states by introducing chemical changes to the reference compound CoPdCo(dpa)(4)Cl(2) (1), isoelectronic to the herein studied systems, but possessing magnetically coupled localized electrons. The discussion is based on the orbital energies obtained by the DFT methodology. Among the systems herein analysed, CoNiCo(dpa)(4)(NCS)(2) has only two unpaired electrons vs. six in the case of 1, its closed-shell configuration appearing at high energies. For Rh(2)M-based chains, changes go a step further and the RhPdRh(dpa)(4)Cl(2) and RhPdRh(dpa)(4)(NCS)(2) molecules present a closed-shell ground state in close competition with the broken symmetry solution with S = ½ on each Rh(II). One-electron reduction of the latter compounds has been computed with marked structural changes. Our calculations show that the two lowest 23-electron states are separated by 7-8 kcal mol(-1) in favour of the state with an unpaired localized electron on the δ(Pd-N)* orbital instead of the delocalized one (σ(nb))(2)(σ*)(1).

  19. Calculation of the water-cyclohexane transfer free energies of neutral amino acid side-chain analogs using the OPLS all-atom force field.

    PubMed

    MacCallum, Justin L; Tieleman, D Peter

    2003-11-30

    We calculated the free energy of solvation of the neutral analogs of 18 amino acid side-chains (not including glycine and proline) using the OPLS all-atom force field in TIP4P water, SPC water, and cyclohexane by molecular dynamics simulation and thermodynamic integration. The average unsigned errors in the free energies of solvation in TIP4P, SPC, and cyclohexane are 4.4, 4.9, and 2.1 kJ/mol respectively. Most of the calculated hydration free energies are not favorable enough compared to experiment. The largest errors are found for tryptophan, histidine, glutamic acid, and glutamine. The average unsigned errors in the free energy of transfer from TIP4P to cyclohexane and from SPC to cyclohexane are 4.0 and 4.1 kJ/mol, respectively. The largest errors, of more than 7.5 kJ/mol, are found for histidine, glutamine, and glutamatic acid.

  20. Molecular Spintronics: Theory of Spin-Dependent Electron Transport Between Iron Nano-Contacts Bridged by Organic Molecules and Fe Atomic Chains*

    NASA Astrophysics Data System (ADS)

    Dalgleish, Hugh

    2005-03-01

    Recent experiments [1] have lent support to theoretical predictions [2] that organic molecules connecting nickel nano-contacts may exhibit magneto-resistance and spin-valve effects. Here we present predictions of spintronic phenomena in another class of ferromagnetic nano-systems: Fe nano-contacts bridged by single conducting or insulating molecules or chains of Fe atoms. Models are constructed based on semi-empirical considerations, the known electronic structure of bulk Fe and ab initio density functional calculations. Using Lippmann-Schwinger and Green's function techniques, and Landauer theory, significant magneto-resistance is predicted in these systems. Under appropriate conditions, novel device characteristics such as negative magneto-resistance are also predicted to emerge. * Supported by NSERC and the Canadian Institute for Advanced Research. 1 J. R. Petta et al., Phys. Rev. Lett. 93, 136601 (2004). 2 E. G. Emberly and G. Kirczenow, Chem. Phys. 281, 311 (2002); R. Pati, et al., Phys. Rev. B 68, 100407 (2003).

  1. Biosynthesis of bacteriochlorophyll c derivatives possessing chlorine and bromine atoms at the terminus of esterifying chains in the green sulfur bacterium Chlorobaculum tepidum.

    PubMed

    Saga, Yoshitaka; Hayashi, Keisuke; Mizoguchi, Tadashi; Tamiaki, Hitoshi

    2014-07-01

    The green sulfur photosynthetic bacterium Chlorobaculum tepidum newly produced BChl c derivatives possessing a chlorine or bromine atom at the terminus of the esterifying chain in the 17-propionate residue by cultivation with exogenous ω-halo-1-alkanols. The relative ratios of BChl c derivatives esterified with 8-chloro-1-octanol and 10-chloro-1-decanol were estimated to be 26.5% and 33.3% by cultivation with these ω-chloro-1-alkanols at the final concentrations of 300 and 150 μM, respectively. In contrast, smaller amounts of unnatural BChls c esterified with ω-bromo-1-alkanols were biosynthesized than those esterified with ω-chloro-1-alkanols: the ratios of BChl c derivatives esterified with 8-bromo-1-octanol and 10-bromo-1-decanol were 11.3% and 12.2% at the concentrations of 300 and 150 μM, respectively. These indicate that ω-chloro-1-alkanols can be incorporated into bacteriochlorophyllide c more than ω-bromo-1-alkanols in the BChl c biosynthetic pathway. The homolog compositions of the novel BChl c derivatives possessing a halogen atom were analogous to those of coexisting natural BChl c esterified with farnesol. These results demonstrate unique properties of BChl c synthase, BchK, which can utilize unnatural substrates containing halogen in the BChl c biosynthesis of Cba. tepidum.

  2. Catalytic Conversion of Short-Chain Alcohols on Atomically Dispersed Au and Pd Supported on Nanoscale Metal Oxides

    NASA Astrophysics Data System (ADS)

    Wang, Chongyang

    With the development of technologies for cellulosic biomass conversion to fuels and chemicals, bio-alcohols are among the main alternative feedstocks to fossil fuels. The research pursued in my thesis was the investigation of gold and palladium as catalysts for the application of short aliphatic alcohols to hydrogen generation and value-added chemicals production. Specifically, selective methanol steam reforming and non-oxidative ethanol dehydrogenation to hydrogen and acetaldehyde were investigated in this thesis work. A major aim of the thesis was to develop atomically efficient catalysts with tuned surface chemistry for the desired reactions, using suitable synthesis methods. Methanol steam reforming (SRM) for hydrogen production has recently been investigated on gold catalysts to overcome the drawbacks of copper catalysts (deactivation, pyrophoricity). Previous work at Tufts University has shown that both CeO2 and ZnO are suitable supports for gold. In this thesis, nanoscale composite oxides ZnZrOx were prepared by a carbon hard-template method, which resulted in homogeneous distribution of Zn species in the matrix of ZrO2. Tunable surface chemistry of ZnZrO x was demonstrated by varying the Zn/Zr ratio to suppress the strong Lewis acidity of ZrO2, which leads to undesired production of CO through methanol decomposition. With atomic dispersion of gold, Au/ZnZrO x catalyzes the SRM reaction exclusively via the methanol self-coupling pathway up to 375°C. The activity of Au/ZnZrOx catalysts was compared to Au/TiO2, which is another catalyst system demonstrating atomic dispersion of gold. Similarity in the apparent activation energy of SRM on all the supported gold catalysts studied in this thesis and in the literature further confirms the same single-site Au-Ox-MO centers as active sites for SRM with indirect effects of the supports exploited. With this fundamental understanding of gold-catalyzed C1 alcohol reforming, the Au/ZnZrOx catalyst was evaluated for the

  3. Diffusion across the modified polyethylene separator GX in the heat-sterilizable AgO-Zn battery

    NASA Technical Reports Server (NTRS)

    Lutwack, R.

    1973-01-01

    Models of diffusion across an inert membrane have been studied using the computer program CINDA. The models were constructed to simulate various conditions obtained in the consideration of the diffusion of Ag (OH)2 ions in the AgO-Zn battery. The effects on concentrations across the membrane at the steady state and on the fluxout as a function of time were used to examine the consequences of stepwise reducing the number of sources of ions, of stepwise blocking the source and sink surfaces, of varying the magnitude of the diffusion coefficient for a uniform membrane, of varying the diffusion coefficient across the membrane, and of excluding volumes to diffusion.

  4. Electron transfer mediating properties of hydrocarbons as a function of chain length: a differential scanning conductive tip atomic force microscopy investigation.

    PubMed

    Scaini, Denis; Castronovo, Matteo; Casalis, Loredana; Scoles, Giacinto

    2008-03-01

    The development of novel molecular and biomolecular devices relies on the understanding of charge transport across molecule-substrate interfaces. However, different strategies adopted so far for fabricating and studying transport through metal-molecule-metal junctions yield values for the transport coefficients that differ by up to orders of magnitude even for the same junction. Conductive tip atomic force microscopy (CT-AFM) allows for the simultaneous measurement of transport and morphological properties of molecular assemblies, but absolute transport measurements depend on the nature of the AFM tip-molecule contact. In this work we present a differential approach to the study of metal-molecule-metal junctions based on the combination of AFM-driven nanolithography and CT-AFM. We nanograft patches of alkanethiol molecules in a self-assembled monolayer of alkanethiol molecules of different chain length and measure by CT-AFM the morphology and the transport properties of the nanopatches and of the reference layer. The method allows for the determination of the differential resistance between the two molecular layers and is thus independent of environmental factors. The validity of this approach is demonstrated by measuring the tunneling decay constant of alkanethiols as a function of their length.

  5. Ag/AgO Nanoparticles Grown via Time Dependent Double Mechanism in a 2D Layered Ni-PCP and Their Antibacterial Efficacy

    PubMed Central

    Agarwal, Rashmi A.; Gupta, Neeraj K.; Singh, Rajan; Nigam, Shivansh; Ateeq, Bushra

    2017-01-01

    A simple synthesis route for growth of Ag/AgO nanoparticles (NPs) in large quantitative yields with narrow size distribution from a functional, non-activated, Ni (II) based highly flexible porous coordination polymer (PCP) as a template has been demonstrated. This template is a stable storage media for the NPs larger than the pore diameters of the PCP. From EPR study it was concluded that NPs were synthesized via two mechanisms i.e. acid formation and the redox activity of the framework. Size range of Ag/AgO NPs is sensitive to choice of solvent and reaction time. Direct use of Ag/AgO@Ni-PCP shows influential growth inhibition towards Escherichia coli and the pathogen Salmonella typhimurium at extremely low concentrations. The pristine template shows no cytotoxic activity, even though it contains Ni nodes in the framework. PMID:28322256

  6. Ag/AgO Nanoparticles Grown via Time Dependent Double Mechanism in a 2D Layered Ni-PCP and Their Antibacterial Efficacy

    NASA Astrophysics Data System (ADS)

    Agarwal, Rashmi A.; Gupta, Neeraj K.; Singh, Rajan; Nigam, Shivansh; Ateeq, Bushra

    2017-03-01

    A simple synthesis route for growth of Ag/AgO nanoparticles (NPs) in large quantitative yields with narrow size distribution from a functional, non-activated, Ni (II) based highly flexible porous coordination polymer (PCP) as a template has been demonstrated. This template is a stable storage media for the NPs larger than the pore diameters of the PCP. From EPR study it was concluded that NPs were synthesized via two mechanisms i.e. acid formation and the redox activity of the framework. Size range of Ag/AgO NPs is sensitive to choice of solvent and reaction time. Direct use of Ag/AgO@Ni-PCP shows influential growth inhibition towards Escherichia coli and the pathogen Salmonella typhimurium at extremely low concentrations. The pristine template shows no cytotoxic activity, even though it contains Ni nodes in the framework.

  7. CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES: Energetics and electronic structure of a single copper atomic chain wrapped in a carbon nanotube: a first-principles study

    NASA Astrophysics Data System (ADS)

    Zhang, Jian-Min; Du, Xiu-Juan; Wang, Su-Fang; Xu, Ke-Wei

    2009-12-01

    In the generalized gradient approximation, the energy and electronic structure are investigated for a single copper atomic chain wrapped in (4, 4), (5, 5) and (6, 6) armchair carbon nanotubes by using the first-principles projector-augmented wave potential within the framework of density functional theory. The results show that the (4, 4) and (5, 5) tubes are too narrow to wrap a Cu chain, but the (6, 6) tube is nearly ideal to wrap a Cu chain on its centre axis. Wider tubes are anticipated to wrap more than one Cu chain spontaneously with forces amounting to a fraction of a nanonewton. Although the tube-chain interaction decreases with the increase of the tube diameter of (4, 4), (5, 5) and (6, 6) successively, the charge density of the Cu@(6, 6) combined system still does not show complete superposition of that of the pristine (6, 6) tube and Cu chain. Successively reducing the restrictions of (4, 4), (5, 5) and (6, 6) tubes on the Cu chain leads to a reduction in shift of the highest peak of the Cu chain towards lower energies, that is from -0.5177 eV of the isolated Cu chain to -1.36785 eV, -0.668 eV and -0.588 eV for the Cu@(4, 4), Cu@(5, 5) and Cu@(6, 6) systems, respectively. In reverse, the strong metallic character of the Cu chain also enhances the metallic character of the combined systems so that the broader pseudogaps of the pristine carbon nanotubes around the Fermi level change into the narrow pseudogaps of the combined systems.

  8. Electrospun regenerated cellulose nanofibrous membranes surface-grafted with polymer chains/brushes via the atom transfer radical polymerization method for catalase immobilization.

    PubMed

    Feng, Quan; Hou, Dayin; Zhao, Yong; Xu, Tao; Menkhaus, Todd J; Fong, Hao

    2014-12-10

    In this study, an electrospun regenerated cellulose (RC) nanofibrous membrane with fiber diameters of ∼200-400 nm was prepared first; subsequently, 2-hydroxyethyl methacrylate (HEMA), 2-dimethylaminoethyl methacrylate (DMAEMA), and acrylic acid (AA) were selected as the monomers for surface grafting of polymer chains/brushes via the atom transfer radical polymerization (ATRP) method. Thereafter, four nanofibrous membranes (i.e., RC, RC-poly(HEMA), RC-poly(DMAEMA), and RC-poly(AA)) were explored as innovative supports for immobilization of an enzyme of bovine liver catalase (CAT). The amount/capacity, activity, stability, and reusability of immobilized catalase were evaluated, and the kinetic parameters (Vmax and Km) for immobilized and free catalase were determined. The results indicated that the respective amounts/capacities of immobilized catalase on RC-poly(HEMA) and RC-poly(DMAEMA) nanofibrous membranes reached 78 ± 3.5 and 67 ± 2.7 mg g(-1), which were considerably higher than the previously reported values. Meanwhile, compared to that of free CAT (i.e., 18 days), the half-life periods of RC-CAT, RC-poly(HEMA)-CAT, RC-poly(DMAEMA)-CAT, and RC-poly(AA)-CAT were 49, 58, 56, and 60 days, respectively, indicating that the storage stability of immobilized catalase was also significantly improved. Furthermore, the immobilized catalase exhibited substantially higher resistance to temperature variation (tested from 5 to 70 °C) and lower degree of sensitivity to pH value (tested from 4.0 and 10.0) than the free catalase. In particular, according to the kinetic parameters of Vmax and Km, the nanofibrous membranes of RC-poly(HEMA) (i.e., 5102 μmol mg(-1) min(-1) and 44.89 mM) and RC-poly(DMAEMA) (i.e., 4651 μmol mg(-1) min(-1) and 46.98 mM) had the most satisfactory biocompatibility with immobilized catalase. It was therefore concluded that the electrospun RC nanofibrous membranes surface-grafted with 3-dimensional nanolayers of polymer chains/brushes would be

  9. Microbial degradation of steroid alkaloids. Effect of nitrogen atom in the side-chain on the microbial degradation of steroid alkaloids.

    PubMed

    Belic, I; Socic, H

    1975-01-01

    The microbial dehydrogenation of steroid alkaloids follows the dehydrogenation pattern of steroids until the 3-keto-1,4-diene stage. No side-chain cleavage or degradation of the steroid nucleus is observed. Side-chain cleavage of tomatidine is achieved only by previous induction of side-chain splitting enzymes.

  10. Development and testing of a high cycle life 30 A-h sealed AgO-Zn battery

    NASA Technical Reports Server (NTRS)

    Bogner, R. S.

    1972-01-01

    A two-phase program was initiated to investigate design parameters and technology to develop an improved AgO-Zn battery. The basic performance goal was 100 charge/discharge cycles (22 h/2 h) at 50 percent depth of discharge following a six-month period of charged stand at room temperature. Phase 1, cell evaluation, involved testing 70 cells in five-cell groups. The major design variables were active material ratios, electrolyte concentrations, separator systems, and negative plate shape. Phase 1 testing showed that cycle life could be improved 10 percent to 20 percent by using greater ratios of zinc to silver oxide and higher electrolyte concentrations. Wedge-shaped negatives increased cycle life by nearly 100 percent. Phase 2 battery evaluation, which was initiated before the Phase 1 results were known completely, involved evaluation of six designs as 19-cell batteries. Only one battery exceeded 100 cycles following nine months charged stand.

  11. Probing the conformation and 2D-distribution of pyrene-terminated redox-labeled poly(ethylene glycol) chains end-adsorbed on HOPG using cyclic voltammetry and atomic force electrochemical microscopy.

    PubMed

    Anne, Agnès; Bahri, Mohamed Ali; Chovin, Arnaud; Demaille, Christophe; Taofifenua, Cécilia

    2014-03-14

    The present paper aims at illustrating how end-attachment of water-soluble flexible chains bearing a terminal functional group onto graphene-like surfaces has to be carefully tuned to ensure the proper positioning of the functional moiety with respect to the anchoring surface. The model experimental system considered here consists of a layer of poly(ethylene glycol) (PEG) chains, bearing an adsorbing pyrene foot and a ferrocene (Fc) redox functional head, self-assembled onto highly oriented pyrolytic graphite (HOPG). Cyclic voltammetry is used to accurately measure the chain coverage and gain insights into the microenvironment experienced by the Fc heads. Molecule-touching atomic force electrochemical microscopy (Mt/AFM-SECM) is used to simultaneously probe the chain conformation and the position of the Fc heads within the layer, and also to map the 2D-distribution of the chains over the surface. This multiscale electrochemical approach allows us to show that whereas Fc-PEG-pyrene readily self-assembles to form extremely homogeneous layers, the strongly hydrophobic nature of graphite planes results in a complex coverage-dependent structure of the PEG layer due to the interaction of the ferrocene label with the HOPG surface. It is shown that, even though pyrene is known to adsorb particularly strongly onto HOPG, the more weakly adsorbing terminal ferrocene can also act as the chain anchoring moiety especially at low coverage. However we show that beyond a critical coverage value the Fc-PEG-pyrene chains adopt an ideal "foot-on" end-attached conformation allowing the Fc head to explore a volume away from the surface solely limited by the PEG chain elasticity.

  12. Preparation of Transparent Bulk TiO2/PMMA Hybrids with Improved Refractive Indices via an in Situ Polymerization Process Using TiO2 Nanoparticles Bearing PMMA Chains Grown by Surface-Initiated Atom Transfer Radical Polymerization.

    PubMed

    Maeda, Satoshi; Fujita, Masato; Idota, Naokazu; Matsukawa, Kimihiro; Sugahara, Yoshiyuki

    2016-12-21

    Transparent TiO2/PMMA hybrids with a thickness of 5 mm and improved refractive indices were prepared by in situ polymerization of methyl methacrylate (MMA) in the presence of TiO2 nanoparticles bearing poly(methyl methacrylate) (PMMA) chains grown using surface-initiated atom transfer radical polymerization (SI-ATRP), and the effect of the chain length of modified PMMA on the dispersibility of modified TiO2 nanoparticles in the bulk hybrids was investigated. The surfaces of TiO2 nanoparticles were modified with both m-(chloromethyl)phenylmethanoyloxymethylphosphonic acid bearing a terminal ATRP initiator and isodecyl phosphate with a high affinity for common organic solvents, leading to sufficient dispersibility of the surface-modified particles in toluene. Subsequently, SI-ATRP of MMA was achieved from the modified surfaces of the TiO2 nanoparticles without aggregation of the nanoparticles in toluene. The molecular weights of the PMMA chains cleaved from the modified TiO2 nanoparticles increased with increases in the prolonging of the polymerization period, and these exhibited a narrow distribution, indicating chain growth controlled by SI-ATRP. The nanoparticles bearing PMMA chains were well-dispersed in MMA regardless of the polymerization period. Bulk PMMA hybrids containing modified TiO2 nanoparticles with a thickness of 5 mm were prepared by in situ polymerization of the MMA dispersion. The transparency of the hybrids depended significantly on the chain length of the modified PMMA on the nanoparticles, because the modified PMMA of low molecular weight induced aggregation of the TiO2 nanoparticles during the in situ polymerization process. The refractive indices of the bulk hybrids could be controlled by adjusting the TiO2 content and could be increased up to 1.566 for 6.3 vol % TiO2 content (1.492 for pristine PMMA).

  13. Use of long-chain alkylamines for preconcentration and determination of traces of molybdenum, tungsten and rhenium by atomic-absorption spectroscopy-II: molybdenum in soils, sediments and natural waters.

    PubMed

    Kim, C H; Alexander, P W; Smythe, L E

    1976-03-01

    Molybdenum is extracted as the thiocyanate complex with the quaternary long-chain aliphatic amine Aliquat 336 in chloroform, followed by evaporation of the solvent, dissolution in MIBK, and atomic-absorption spectroscopy. The method is simple, rapid and sensitive, with few interference problems for the determination of the Mo content of soils and sediments in the range 0.1-1.0 ppm with a relative standard deviation better than 5% when 1-g samples are used. Quantitative extraction from large volumes of aqueous solution has also been confirmed, allowing the determination of Mo in natural waters in the ppM range.

  14. Interplay among tertiary contacts, secondary structure formation and side-chain packing in the protein folding mechanism: all-atom representation study of protein L.

    PubMed

    Clementi, Cecilia; García, Angel E; Onuchic, José N

    2003-02-21

    Experimental and theoretical results suggest that, since proteins are energetically minimally frustrated, the native fold, or topology, plays a primary role in determining the structure of the transition state ensemble and on-pathway intermediate states in protein folding. Although the central role of native state topology in determining the folding mechanism is thought to be a quite general result-at least for small two-state folding proteins-there are remarkable exceptions. Recent experimental findings have shown that topology alone cannot always determine the folding mechanism, and demonstrated that the balance between topology and energetics is very delicate. This balance seems to be particularly critical in proteins with a highly symmetrical native structure, such as proteins L and G, which have similar native structure topology but fold by different mechanisms. Simplified, C(alpha)-atom only protein models have shown not be sufficient to differentiate these mechanisms. An all-atom Gō model provides a valuable intermediate model between structurally simplified protein representations and all-atom protein simulations with explicit/implicit solvent descriptions. We present here a detailed study of an all-atom Gō-like representation of protein L, in close comparison with the experimental results and with the results obtained from a simple C(alpha)-atom representation of the same protein. We also perform simulations for protein G, where we obtain a folding mechanism in which the protein symmetry is broken exactly in the opposite way to protein L as has been observed experimentally. A detailed analysis for protein L also shows that the role of specific residues is correctly and quantitatively reproduced by the all-atom Gō model over almost the entire protein.

  15. Inulin crystal initiation via a glucose-fructose cross-link of adjacent polymer chains: atomic force microscopy and static molecular modelling.

    PubMed

    Cooper, Peter D; Rajapaksha, K Harinda; Barclay, Thomas G; Ginic-Markovic, Milena; Gerson, Andrea R; Petrovsky, Nikolai

    2015-03-06

    Semi-crystalline microparticles of inulin (MPI) have clinical utility as potent human vaccine adjuvants but their relevant surface structure and crystal assembly remain undefined. We show inulin crystal surfaces to resemble multi-layered, discoid radial spherulites resulting from very rapid formation of complex tertiary structures, implying directed crystal initiation. Physical and in silico molecular modelling of unit cells confirm steric feasibility of initiation by hydrogen-bonded cross-linking of terminal glucose to a fructose of another chain, mimicking bonding in sucrose crystals. A strong, chelate-like dual H-bond is proposed to compel the known antiparallel alignment of inulin chains. Such cross-linking would require one extra fructose per chain in the native inulin crystal, as observed. Completion of five H-bonded internal ring-domains would 'lock in' each new 6-fructose structural unit of each antiparallel helix pair to create a new isoform. All known properties of inulin isoforms follow readily from these concepts.

  16. Silver(I) nitrate complexes of three tetra-kis-thio-ether-substituted pyrazine ligands: metal-organic chain, network and framework structures.

    PubMed

    Assoumatine, Tokouré; Stoeckli-Evans, Helen

    2017-03-01

    pyridine N atom. A second nitrate anion, also lying about the twofold rotation axis, coordinates to this silver atom via an Ag-O bond, hence this second silver atom has a threefold N2O coordination sphere. In the crystal of (I), the nitrate anion plays an essential role in forming C-H⋯O hydrogen bonds that link the metal-organic chains to form a three-dimensional supra-molecular structure. In the crystal of (II), the metal-organic networks (lying parallel to the bc plane) stack up the a-axis direction but there are no significant inter-molecular inter-actions present between the layers. In the crystal of (III), there are a number of C-H⋯O hydrogen bonds present within the metal-organic framework. The role of the nitrate anion in the formation of the coordination polymers is also examined.

  17. Synthesis of Novel μ-Star Copolymers with Poly(N-Octyl Benzamide) and Poly(ε-Caprolactone) Miktoarms through Chain-Growth Condensation Polymerization, Styrenics-Assisted Atom Transfer Radical Coupling, and Ring-Opening Polymerization.

    PubMed

    Huang, Chih-Feng; Aimi, Junko; Lai, Kuan-Yu

    2017-02-01

    Star copolymers are known to phase separate on the nanoscale, providing useful self-assembled morphologies. In this study, the authors investigate synthesis and assembly behavior of miktoarm star (μ-star) copolymers. The authors employ a new strategy for the synthesis of unprecedented μ-star copolymers presenting poly(N-octyl benzamide) (PBA) and poly(ε-caprolactone) (PCL) arms: a combination of chain-growth condensation polymerization, styrenics-assisted atom transfer radical coupling, and ring-opening polymerization. Gel permeation chromatography, mass-analyzed laser desorption/ionization mass spectrometry, and (1) H NMR spectroscopy reveal the successful synthesis of a well-defined (PBA11 )2 -(PCL15 )4 μ-star copolymer (Mn,NMR ≈ 12 620; Đ = 1.22). Preliminary examination of the PBA2 PCL4 μ-star copolymer reveals assembled nanofibers having a uniform diameter of ≈20 nm.

  18. Comparison of Three Efficient Approximate Exact-Exchange Algorithms: The Chain-of-Spheres Algorithm, Pair-Atomic Resolution-of-the-Identity Method, and Auxiliary Density Matrix Method.

    PubMed

    Rebolini, Elisa; Izsák, Róbert; Reine, Simen Sommerfelt; Helgaker, Trygve; Pedersen, Thomas Bondo

    2016-08-09

    We compare the performance of three approximate methods for speeding up evaluation of the exchange contribution in Hartree-Fock and hybrid Kohn-Sham calculations: the chain-of-spheres algorithm (COSX; Neese , F. Chem. Phys. 2008 , 356 , 98 - 109 ), the pair-atomic resolution-of-identity method (PARI-K; Merlot , P. J. Comput. Chem. 2013 , 34 , 1486 - 1496 ), and the auxiliary density matrix method (ADMM; Guidon , M. J. Chem. Theory Comput. 2010 , 6 , 2348 - 2364 ). Both the efficiency relative to that of a conventional linear-scaling algorithm and the accuracy of total, atomization, and orbital energies are compared for a subset containing 25 of the 200 molecules in the Rx200 set using double-, triple-, and quadruple-ζ basis sets. The accuracy of relative energies is further compared for small alkane conformers (ACONF test set) and Diels-Alder reactions (DARC test set). Overall, we find that the COSX method provides good accuracy for orbital energies as well as total and relative energies, and the method delivers a satisfactory speedup. The PARI-K and in particular ADMM algorithms require further development and optimization to fully exploit their indisputable potential.

  19. An evaluation of atomic and molecular mixture rules and group additivity concepts for the estimation of radiation absorption by long-chained, saturated hydrocarbons at vacuum UV and soft X-ray energies

    NASA Astrophysics Data System (ADS)

    Au, Jennifer W.; Cooper, Glyn; Burton, Gordon R.; Brion, C. E.

    1994-10-01

    The feasibility of using atomic and molecular mixture rules as well as group additivity concepts for predicting valence shell photoabsorption oscillator strengths (cross sections) for long-chained alkane molecules has been investigated over a wide energy range from 18 to 220 eV. The predictions are discussed with reference to recently reported experimental measurements (Chem. Phys. 173 (1993) 209) for normal alkanes, C nH 2 n+2 ( n=1-8). Atomic mixture rules based on either theoretical or experimental atomic oscillator strength sums are found to be unsatisfactory, giving very large errors at most photon energies. A wide range of molecular mixture rules based on linear combinations of measured oscillator strength values for small 'component' alkane molecules and molecular hydrogen have also been evaluated. Although good agreement with experiment is obtained with some linear combinations, many others result in substantial errors. Molecular mixture rules constructed using oscillator strength for larger component alkanes generally give better estimates of the experimentally measured data; however, since no other a priori physical or chemical reasons can be advanced for any particular choice of molecular mixture rule, this procedure is unsatisfactory for general application. In contrast, a group additivity procedure based on oscillator strength estimates for the methylene (CH 2) and methyl (CH 3) alkane group fragments, derived entirely from the photoabsorption measurements for lower alkanes, provides excellent agreement with the measured oscillator strengths for C 8H 18 over the entire energy range studied (18-220 eV). The absolute photoabsorption group oscillator strengths derived for the CH 2 and CH 3 fragments should be applicable to assessing the contributions from saturated hydrocarbon groupings to vacuum UV and soft X-ray absorption in larger chemical and biochemical systems.

  20. Investigation of Humidity Dependent Surface Morphology and Proton Conduction in Multi-Acid Side Chain Membranes by Conductive Probe Atomic Force Microscopy.

    PubMed

    Economou, Nicholas J; Barnes, Austin M; Wheat, Andrew J; Schaberg, Mark S; Hamrock, Steven J; Buratto, Steven K

    2015-11-05

    In this report, we employ phase-contrast tapping mode and conductive probe atomic force microscopy (cp-AFM) as tools to investigate the nanoscale morphology and proton conductance of a 3M perfluoro-imide acid (PFIA) membrane (625 EW) over a large range of relative humidity (3-95% RH). As a point of comparison, we also investigate 3M perfluorosulfonic acid (PFSA) (825 EW) and Nafion 212. With AFM, we assess the membrane's water retention and mechanical stability at low RH and high RH, respectively. Cp-AFM allows us to spatially resolve the hydrophilic and electrochemically active domains under a similar set of conditions and observe directly the ties between membrane morphology and proton conductance. From our data, we are able to correlate the improved water retention indicated by the size of the hydrophilic domains with the proton conductance in the PFIA membrane at elevated temperature and compare the result with that observed for the PFSA and Nafion. At high RH conditions, we see evidence of a nearly continuous hydrophilic phase, which indicates a high degree of swelling.

  1. Comparison of united-atom potentials for the simulation of vapor-liquid equilibria and interfacial properties of long-chain n-alkanes up to n-C100.

    PubMed

    Müller, Erich A; Mejía, Andrés

    2011-11-10

    Canonical ensemble molecular dynamics (MD) simulations are reported which compute both the vapor-liquid equilibrium properties (vapor pressure and liquid and vapor densities) and the interfacial properties (density profiles, interfacial tensions, entropy and enthalpy of surface formation) of four long-chained n-alkanes: n-decane (n-C(10)), n-eicosane (n-C(20)), n-hexacontane (n-C(60)), and n-decacontane (n-C(100)). Three of the most commonly employed united-atom (UA) force fields for alkanes (SKS: Smit, B.; Karaborni, S.; Siepmann, J. I. J. Chem. Phys. 1995,102, 2126-2140; J. Chem. Phys. 1998,109, 352; NERD: Nath, S. K.; Escobedo, F. A.; de Pablo, J. J. J. Chem. Phys. 1998, 108, 9905-9911; and TraPPE: Martin M. G.; Siepmann, J. I. J. Phys. Chem. B1998, 102, 2569-2577.) are critically appraised. The computed results have been compared to the available experimental data and those fitted using the square gradient theory (SGT). In the latter approach, the Lennard-Jones chain equation of state (EoS), appropriately parametrized for long hydrocarbons, is used to model the homogeneous bulk phase Helmholtz energy. The MD results for phase equilibria of n-decane and n-eicosane exhibit sensible agreement both to the experimental data and EoS correlation for all potentials tested, with the TraPPE potential showing the lowest deviations. However, as the molecular chain increases to n-hexacontane and n-decacontane, the reliability of the UA potentials decreases, showing notorious subpredictions of both saturated liquid density and vapor pressure. Based on the recommended data and EoS results for the heaviest hydrocarbons, it is possible to attest, that in this extreme, the TraPPE potential shows the lowest liquid density deviations. The low absolute values of the vapor pressure preclude the discrimination among the three UA potentials studied. On the other hand, interfacial properties are very sensitive to the type of UA potential thus allowing a differentiation of the

  2. Falling chains

    NASA Astrophysics Data System (ADS)

    Wong, Chun Wa; Yasui, Kosuke

    2006-06-01

    The one-dimensional fall of a folded chain with one end suspended from a rigid support and a chain falling from a resting heap on a table is studied. Because their Lagrangians contain no explicit time dependence, the falling chains are conservative systems. Their equations of motion are shown to contain a term that enforces energy conservation when masses are transferred between subchains. We show that Cayley's 1857 energy nonconserving solution for a chain falling from a resting heap is incorrect because it neglects the energy gained when a link leaves a subchain. The maximum chain tension measured by Calkin and March for the falling folded chain is given a simple if rough interpretation. Other aspects of the falling folded chain are briefly discussed.

  3. Atomic polarizabilities

    SciTech Connect

    Safronova, M. S.; Mitroy, J.; Clark, Charles W.; Kozlov, M. G.

    2015-01-22

    The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed.

  4. Chain Sampling

    DTIC Science & Technology

    1972-08-01

    35609 Advanced Techniques Branch Plans and Programs Analysis Division Directorate for Product Assurance U. S. Army Missile Command Redstone Arsenal...Ray Heathcock Advanced Techniques Branch Plans and Programs Analysis Division Directorate for Product Assurance U. S. Army Missile Command...for Product Assurance has established a rather unique computer program for handling a variety of chain sampling schemes and is available for

  5. Atomic supersymmetry

    NASA Technical Reports Server (NTRS)

    Kostelecky, V. Alan

    1993-01-01

    Atomic supersymmetry is a quantum-mechanical supersymmetry connecting the properties of different atoms and ions. A short description of some established results in the subject are provided and a few recent developments are discussed including the extension to parabolic coordinates and the calculation of Stark maps using supersymmetry-based models.

  6. Electronic bistability in linear beryllium chains.

    PubMed

    Helal, Wissam; Monari, Antonio; Evangelisti, Stefano; Leininger, Thierry

    2009-04-30

    A theoretical investigation on the mixed-valence behavior (bistability) of a series of cationic linear chains composed of beryllium atoms, Be(N)(+) (with N = 6,..., 12), is presented. The calculations were performed at CAS-SCF and MR-CI levels by using an ANO basis set containing 6s4p3d2f orbitals for each atom. Our results show a consistent gradual shift between different classes of mixed-valence compounds as the number of beryllium atoms increases, from class III strong coupling toward class II valence trapped. Indeed, in the largest cases (N > 10), the cationic chains were found to be closer to class I, where the coupling vanishes. The intramolecular electron transfer parameters V(ab), E(a), and E(opt) were calculated for each atomic chain. It is shown that the decrease of V(ab) with increasing N follows an exponential pattern.

  7. Modeling of polypeptide chains as C alpha chains, C alpha chains with C beta, and C alpha chains with ellipsoidal lateral chains.

    PubMed Central

    Fogolari, F; Esposito, G; Viglino, P; Cattarinussi, S

    1996-01-01

    In an effort to reduce the number of degrees of freedom necessary to describe a polypeptide chain we analyze the statistical behavior of polypeptide chains when represented as C alpha chains, C alpha chains with C beta atoms attached, and C alpha chains with rotational ellipsoids as models of side chains. A statistical analysis on a restricted data set of 75 unrelated protein structures is performed. The comparison of the database distributions with those obtained by model calculation on very short polypeptide stretches allows the dissection of local versus nonlocal features of the distributions. The database distribution of the bend angles of polypeptide chains of pseudo bonded C alpha atoms spans a restricted range of values and shows a bimodal structure. On the other hand, the torsion angles of the C alpha chain may assume almost all possible values. The distribution is bimodal, but with a much broader probability distribution than for bend angles. The C alpha - C beta vectors may be taken as representative of the orientation of the lateral chain, as the direction of the bond is close to the direction of the vector joining C alpha to the ad hoc defined center of the "steric mass" of the side chain. Interestingly, both the bend angle defined by C alpha i-C alpha i+1-C beta i+1 and the torsional angle offset of the pseudo-dihedral C alpha i-C alpha i+1-C alpha i+2-C beta i+2 with respect to C alpha i-C alpha i+1-C alpha i+2-C alpha i+3 span a limited range of values. The latter results show that it is possible to give a more realistic representation of polypeptide chains without introducing additional degrees of freedom, i.e., by just adding to the C alpha chain a C beta with given side-chain properties. However, a more realistic description of side chains may be attained by modeling side chains as rotational ellipsoids that have roughly the same orientation and steric hindrance. To this end, we define the steric mass of an atom as proportional to its van der

  8. Chain Gang

    NASA Technical Reports Server (NTRS)

    2006-01-01

    6 August 2006 This Mars Global Surveyor (MGS) Mars Orbiter Camera (MOC) image shows a chain of clustered and battered craters. These were formed by secondary impact. That is, somewhere to the south (beyond the bottom of this image), a large impact crater formed. When this occurred, material ejected from the crater was thrown tens to hundreds of kilometers away. This material then impacted the martian surface, forming clusters and chains of smaller craters.

    Location near: 15.8oN, 35.6oW Image width: 3 km (1.9 mi) Illumination from: upper left Season: Northern Spring

  9. Anisotropic Transport of Electrons in a Novel FET Channel with Chains of InGaAs Nano-Islands Embedded along Quasi-Periodic Multi-Atomic Steps on Vicinal (111)B GaAs

    SciTech Connect

    Akiyama, Y.; Kawazu, T.; Noda, T.; Sakaki, H.

    2010-01-04

    We have studied electron transport in n-AlGaAs/GaAs heterojunction FET channels, in which chains of InGaAs nano-islands are embedded along quasi-periodic steps. By using two samples, conductance G{sub para}(V{sub g}) parallel to the steps and G{sub perp}(V{sub g}) perpendicular to them were measured at 80 K as functions of gate voltage V{sub g}. At sufficiently high V{sub g}, G{sub para} at 80 K is several times as high as G{sub perp}, which manifests the anisotropic two-dimensional transport of electrons. When V{sub g} is reduced to -0.7 V, G{sub perp} almost vanishes, while {sub Gpara} stays sizable unless V{sub g} is set below -0.8 V. These results indicate that 'inter-chain' barriers play stronger roles than 'intra-chain' barriers.

  10. Acting Atoms.

    ERIC Educational Resources Information Center

    Farin, Susan Archie

    1997-01-01

    Describes a fun game in which students act as electrons, protons, and neutrons. This activity is designed to help students develop a concrete understanding of the abstract concept of atomic structure. (DKM)

  11. Kinetic Atom.

    ERIC Educational Resources Information Center

    Wilson, David B.

    1981-01-01

    Surveys the research of scientists like Joule, Kelvin, Maxwell, Clausius, and Boltzmann as it comments on the basic conceptual issues involved in the development of a more precise kinetic theory and the idea of a kinetic atom. (Author/SK)

  12. Atomic research

    NASA Technical Reports Server (NTRS)

    Hadaway, James B.; Connatser, Robert; Cothren, Bobby; Johnson, R. B.

    1993-01-01

    Work performed by the University of Alabama in Huntsville's (UAH) Center for Applied Optics (CAO) entitled Atomic Research is documented. Atomic oxygen (AO) effects on materials have long been a critical concern in designing spacecraft to withstand exposure to the Low Earth Orbit (LEO) environment. The objective of this research effort was to provide technical expertise in the design of instrumentation and experimental techniques for analyzing materials exposed to atomic oxygen in accelerated testing at NASA/MSFC. Such testing was required to answer fundamental questions concerning Space Station Freedom (SSF) candidate materials and materials exposed to atomic oxygen aboard the Long-Duration Exposure Facility (LDEF). The primary UAH task was to provide technical design, review, and analysis to MSFC in the development of a state-of-the-art 5eV atomic oxygen beam facility required to simulate the RAM-induced low earth orbit (LEO) AO environment. This development was to be accomplished primarily at NASA/MSFC. In support of this task, contamination effects and ultraviolet (UV) simulation testing was also to be carried out using NASA/MSFC facilities. Any materials analysis of LDEF samples was to be accomplished at UAH.

  13. Modifying the OPLS-AA force field to improve hydration free energies for several amino acid side chains using new atomic charges and an off-plane charge model for aromatic residues.

    PubMed

    Xu, Zhitao; Luo, Harry H; Tieleman, D Peter

    2007-02-01

    The hydration free energies of amino acid side chains are an important determinant of processes that involve partitioning between different environments, including protein folding, protein complex formation, and protein-membrane interactions. Several recent papers have shown that calculated hydration free energies for polar and aromatic residues (Trp, His, Tyr, Asn, Gln, Asp, Glu) in several common molecular dynamics force fields differ significantly from experimentally measured values. We have attempted to improve the hydration energies for these residues by modifying the partial charges of the OPLS-AA force field based on natural population analysis of density functional theory calculations. The resulting differences between calculated hydration free energies and experimental results for the seven side chain analogs are less than 0.1 kcal/mol. Simulations of the synthetic Trp-rich peptide Trpzip2 show that the new charges lead to significantly improved geometries for interacting Trp-side chains. We also investigated an off-plane charge model for aromatic rings that more closely mimics their electronic configuration. This model results in an improved free energy of hydration for Trp and a somewhat altered benzene-sodium potential of mean force with a more favorable energy for direct benzene-sodium contact.

  14. Atom Interferometry

    ScienceCinema

    Mark Kasevich

    2016-07-12

    Atom de Broglie wave interferometry has emerged as a tool capable of addressing a diverse set of questions in gravitational and condensed matter physics, and as an enabling technology for advanced sensors in geodesy and navigation. This talk will review basic principles, then discuss recent applications and future directions. Scientific applications to be discussed include measurement of G (Newton’s constant), tests of the Equivalence Principle and post-Newtonian gravity, and study of the Kosterlitz-Thouless phase transition in layered superfluids. Technology applications include development of precision gryoscopes and gravity gradiometers. The talk will conclude with speculative remarks looking to the future: Can atom interference methods be sued to detect gravity waves? Can non-classical (entangled/squeezed state) atom sources lead to meaningful sensor performance improvements?

  15. Atom Interferometry

    SciTech Connect

    Kasevich, Mark

    2008-05-08

    Atom de Broglie wave interferometry has emerged as a tool capable of addressing a diverse set of questions in gravitational and condensed matter physics, and as an enabling technology for advanced sensors in geodesy and navigation. This talk will review basic principles, then discuss recent applications and future directions. Scientific applications to be discussed include measurement of G (Newton's constant), tests of the Equivalence Principle and post-Newtonian gravity, and study of the Kosterlitz-Thouless phase transition in layered superfluids. Technology applications include development of precision gyroscopes and gravity gradiometers. The talk will conclude with speculative remarks looking to the future: Can atom interference methods be used to detect gravity waves? Can non-classical (entangled/squeezed state) atom sources lead to meaningful sensor performance improvements?

  16. Atom Interferometry

    SciTech Connect

    Mark Kasevich

    2008-05-07

    Atom de Broglie wave interferometry has emerged as a tool capable of addressing a diverse set of questions in gravitational and condensed matter physics, and as an enabling technology for advanced sensors in geodesy and navigation. This talk will review basic principles, then discuss recent applications and future directions. Scientific applications to be discussed include measurement of G (Newton’s constant), tests of the Equivalence Principle and post-Newtonian gravity, and study of the Kosterlitz-Thouless phase transition in layered superfluids. Technology applications include development of precision gryoscopes and gravity gradiometers. The talk will conclude with speculative remarks looking to the future: Can atom interference methods be sued to detect gravity waves? Can non-classical (entangled/squeezed state) atom sources lead to meaningful sensor performance improvements?

  17. Reactivity and Catalytic Activity of Hydrogen Atom Chemisorbed Silver Clusters.

    PubMed

    Manzoor, Dar; Pal, Sourav

    2015-06-18

    Metal clusters of silver have attracted recent interest of researchers as a result of their potential in different catalytic applications and low cost. However, due to the completely filled d orbital and very high first ionization potential of the silver atom, the silver-based catalysts interact very weakly with the reacting molecules. In the current work, density functional theory calculations were carried out to investigate the effect of hydrogen atom chemisorption on the reactivity and catalytic properties of inert silver clusters. Our results affirm that the hydrogen atom chemisorption leads to enhancement in the binding energy of the adsorbed O2 molecule on the inert silver clusters. The increase in the binding energy is also characterized by the decrease in the Ag-O and increase in the O-O bond lengths in the case of the AgnH silver clusters. Pertinent to the increase in the O-O bond length, a significant red shift in the O-O stretching frequency is also noted in the case of the AgnH silver clusters. Moreover, the hydrogen atom chemisorbed silver clusters show low reaction barriers and high heat of formation of the final products for the environmentally important CO oxidation reaction as compared to the parent catalytically inactive clusters. The obtained results were compared with those of the corresponding gold and hydrogen atom chemisorbed gold clusters obtained at the same level of theory. It is expected the current computational study will provide key insights for future advances in the design of efficient nanosilver-based catalysts through the adsorption of a small atom or a ligand.

  18. Clathrin heavy chain, light chain interactions.

    PubMed Central

    Winkler, F K; Stanley, K K

    1983-01-01

    Purified pig brain clathrin can be reversibly dissociated and separated into heavy chain trimers and light chains in the presence of non-denaturing concentrations of the chaotrope thiocyanate. The isolated heavy chain trimers reassemble into regular polygonal cage structures in the absence of light chains. The light chain fraction can be further resolved into its two components L alpha and L beta which give different one-dimensional peptide maps. Radiolabelled light chains bind with high affinity (KD < 10(-10) M) to heavy chain trimers, to heavy chain cages and to a 110,000 mol. wt. tryptic fragment of the heavy chain. Both light chains compete with each other and with light chains from other sources for the same binding sites on heavy chains and c.d. spectroscopy shows that the two pig brain light chains possess very similar structures. We conclude that light chains from different sources, despite some heterogeneity, have a highly conserved, high affinity binding site on the heavy chain but are not essential for the formation of regular cage structures. Images Fig. 1. Fig. 2. Fig. 3. Fig. 4. Fig. 8. PMID:10872336

  19. Predictive Modeling of Metal-Organic Chains with Active Metal Site

    NASA Astrophysics Data System (ADS)

    Ud Din, Naseem; Le, Duy; Rahman, Talat

    Creation, stabilization, characterization and control of single atom transition metal (TM) sites may lead to significant advancement of the next-generation catalyst. Motivated by the experimental results of Skomski et al., we have performed density functional theory based calculations of TM-dipyridyltetrazine (DT) chains in which TM atoms are stabilized and separated by the DT molecules. Our calculations show that the formation energies of the chains are high, suggesting that these chains can easily be synthesized and stabilized. Moreover, by calculating the adsorption energies of CO, O2 and O atom on the metal atom sites of the chains we found that these molecules/atoms strongly bond to TM atoms Mo, Cr, Fe and Co occupying these sites, suggesting that these TM-DT chains are potential candidates for CO oxidation catalyst. Details of reaction pathway (energetic and kinetic) of CO oxidation on the chains will be also presented and discussed.

  20. Theoretical Studies of Relatively Rigid Polymer Chains.

    DTIC Science & Technology

    1982-12-01

    energies Chain packing Intermolecular interactions Polarizability Polybenzobisoxazoles Electrical conductivitj 20. ATTRACT (Continue an reverse side if...of these materials, the ordering of the chains, and the mechanical strength of the resulting films or fibers . The basic goals are thus a molecular...be used to prepare films and fibers having unusual strength and thermal stability. They are, however, very nearly intract- able unless some atoms or

  1. Atomic arias

    NASA Astrophysics Data System (ADS)

    Crease, Robert P.

    2009-01-01

    The American composer John Adams uses opera to dramatize controversial current events. His 1987 work Nixon in China was about the landmark meeting in 1972 between US President Richard Nixon and Chairman Mao Zedong of China; The Death of Klinghoffer (1991) was a musical re-enactment of an incident in 1985 when Palestinian terrorists kidnapped and murdered a wheelchair-bound Jewish tourist on a cruise ship. Adams's latest opera, Doctor Atomic, is also tied to a controversial event: the first atomic-bomb test in Alamogordo, New Mexico, on 16 June 1945. The opera premièred in San Francisco in 2005, had a highly publicized debut at the Metropolitan Opera in New York in 2008, and will have another debut on 25 February - with essentially the same cast - at the English National Opera in London.

  2. Atomic rivals

    SciTech Connect

    Goldschmidt, B.

    1990-01-01

    This book is a memoir of rivalries among the Allies over the bomb, by a participant and observer. Nuclear proliferation began in the uneasy wartime collaboration of the United States, England, Canada, and Free France to produce the atom bomb. Through the changes of history, a young French chemist had a role in almost every act of this international drama. This memoir is based on Goldschmidt's own recollections, interviews with other leading figures, and 3,000 pages of newly declassified documents in Allied archives. From his own start as Marie Curie's lab assistant, Goldschmidt's career was closely intertwined with Frances complicated rise to membership in the nuclear club. As a refugee from the Nazis, he became part of the wartime nuclear energy project in Canada and found himself the only French scientist to work (although briefly) on the American atom bomb project.

  3. Atomic physics

    SciTech Connect

    Livingston, A.E.; Kukla, K.; Cheng, S.

    1995-08-01

    In a collaboration with the Atomic Physics group at Argonne and the University of Toledo, the Atomic Physics group at the University of Notre Dame is measuring the fine structure transition energies in highly-charged lithium-like and helium-like ions using beam-foil spectroscopy. Precise measurements of 2s-2p transition energies in simple (few-electron) atomic systems provide stringent tests of several classes of current atomic- structure calculations. Analyses of measurements in helium-like Ar{sup 16+} have been completed, and the results submitted for publication. A current goal is to measure the 1s2s{sup 3}S{sub 1} - 1s2p{sup 3}P{sub 0} transition wavelength in helium-like Ni{sup 26+}. Measurements of the 1s2s{sup 2}S{sub 1/2} - 1s2p{sup 2}P{sub 1/2,3/2} transition wavelengths in lithium-like Kr{sup 33+} is planned. Wavelength and lifetime measurements in copper-like U{sup 63+} are also expected to be initiated. The group is also participating in measurements of forbidden transitions in helium-like ions. A measurement of the lifetime of the 1s2s{sup 3}S{sub 1} state in Kr{sup 34+} was published recently. In a collaboration including P. Mokler of GSI, Darmstadt, measurements have been made of the spectral distribution of the 2E1 decay continuum in helium-like Kr{sup 34+}. Initial results have been reported and further measurements are planned.

  4. Atomic Databases

    NASA Astrophysics Data System (ADS)

    Mendoza, Claudio

    2000-10-01

    Atomic and molecular data are required in a variety of fields ranging from the traditional astronomy, atmospherics and fusion research to fast growing technologies such as lasers, lighting, low-temperature plasmas, plasma assisted etching and radiotherapy. In this context, there are some research groups, both theoretical and experimental, scattered round the world that attend to most of this data demand, but the implementation of atomic databases has grown independently out of sheer necessity. In some cases the latter has been associated with the data production process or with data centers involved in data collection and evaluation; but sometimes it has been the result of individual initiatives that have been quite successful. In any case, the development and maintenance of atomic databases call for a number of skills and an entrepreneurial spirit that are not usually associated with most physics researchers. In the present report we present some of the highlights in this area in the past five years and discuss what we think are some of the main issues that have to be addressed.

  5. Nuclear structure notes on element 115 decay chains

    SciTech Connect

    Rudolph, D. Sarmiento, L. G.; Forsberg, U.

    2015-10-15

    Hitherto collected data on more than hundred α-decay chains stemming from element 115 are combined to probe some aspects of the underlying nuclear structure of the heaviest atomic nuclei yet created in the laboratory.

  6. Atom Skimmers and Atom Lasers Utilizing Them

    NASA Technical Reports Server (NTRS)

    Hulet, Randall; Tollett, Jeff; Franke, Kurt; Moss, Steve; Sackett, Charles; Gerton, Jordan; Ghaffari, Bita; McAlexander, W.; Strecker, K.; Homan, D.

    2005-01-01

    Atom skimmers are devices that act as low-pass velocity filters for atoms in thermal atomic beams. An atom skimmer operating in conjunction with a suitable thermal atomic-beam source (e.g., an oven in which cesium is heated) can serve as a source of slow atoms for a magneto-optical trap or other apparatus in an atomic-physics experiment. Phenomena that are studied in such apparatuses include Bose-Einstein condensation of atomic gases, spectra of trapped atoms, and collisions of slowly moving atoms. An atom skimmer includes a curved, low-thermal-conduction tube that leads from the outlet of a thermal atomic-beam source to the inlet of a magneto-optical trap or other device in which the selected low-velocity atoms are to be used. Permanent rare-earth magnets are placed around the tube in a yoke of high-magnetic-permeability material to establish a quadrupole or octupole magnetic field leading from the source to the trap. The atoms are attracted to the locus of minimum magnetic-field intensity in the middle of the tube, and the gradient of the magnetic field provides centripetal force that guides the atoms around the curve along the axis of the tube. The threshold velocity for guiding is dictated by the gradient of the magnetic field and the radius of curvature of the tube. Atoms moving at lesser velocities are successfully guided; faster atoms strike the tube wall and are lost from the beam.

  7. Structure of confined films of chain alcohols

    SciTech Connect

    Mugele, Friedrich; Baldelli, Steven; Somorjai, Gabor A.; Salmeron, Miquel

    1999-09-30

    The structure of thin films of simple chain alcohols (1-octanol and 1-undecanol) confined between two atomically smooth mica surfaces has been investigated using a surface forces apparatus (SFA). In both systems, the substrate-molecule interaction leads to a strongly bound first layer on each surface. Additional liquid organizes into highly compressible bilayers, which could be expelled by applying sufficiently high pressure.

  8. High Atom Number in Microsized Atom Traps

    DTIC Science & Technology

    2015-12-14

    cooling of some atoms in atomic beam. We have reconfigured the apparatus for applying bichromatic forces transverse to the atomic beam, as it will be...apparatus for applying bichromatic forces transverse to the atomic beam, as it will be easier to extend this to two dimensions. Research to develop

  9. Atomic magnetometer

    DOEpatents

    Schwindt, Peter [Albuquerque, NM; Johnson, Cort N [Albuquerque, NM

    2012-07-03

    An atomic magnetometer is disclosed which uses a pump light beam at a D1 or D2 transition of an alkali metal vapor to magnetically polarize the vapor in a heated cell, and a probe light beam at a different D2 or D1 transition to sense the magnetic field via a polarization rotation of the probe light beam. The pump and probe light beams are both directed along substantially the same optical path through an optical waveplate and through the heated cell to an optical filter which blocks the pump light beam while transmitting the probe light beam to one or more photodetectors which generate electrical signals to sense the magnetic field. The optical waveplate functions as a quarter waveplate to circularly polarize the pump light beam, and as a half waveplate to maintain the probe light beam linearly polarized.

  10. Gasoline compositions containing branched chain amines or derivatives thereof

    SciTech Connect

    Schuettenberg, A.D.

    1987-02-03

    A detergent additive is described comprising a reaction product of (a) a C/sub 8-30/ branched chain monoamine having at least 7 carbon atoms in a straight chain and (b) a C/sub 1-12/ monocarboxylic acid or ester.

  11. Health supply chain management.

    PubMed

    Zimmerman, Rolf; Gallagher, Pat

    2010-01-01

    This chapter gives an educational overview of: * The actual application of supply chain practice and disciplines required for service delivery improvement within the current health environment. * A rationale for the application of Supply Chain Management (SCM) approaches to the Health sector. * The tools and methods available for supply chain analysis and benchmarking. * Key supply chain success factors.

  12. Fibonacci chain polynomials: Identities from self-similarity

    NASA Technical Reports Server (NTRS)

    Lang, Wolfdieter

    1995-01-01

    Fibonacci chains are special diatomic, harmonic chains with uniform nearest neighbor interaction and two kinds of atoms (mass-ratio r) arranged according to the self-similar binary Fibonacci sequence ABAABABA..., which is obtained by repeated substitution of A yields AB and B yields A. The implications of the self-similarity of this sequence for the associated orthogonal polynomial systems which govern these Fibonacci chains with fixed mass-ratio r are studied.

  13. Closed Circular Chains

    ERIC Educational Resources Information Center

    Caglayan, Günhan

    2016-01-01

    A Steiner chain is defined as the sequence of n circles that are all tangent to two given non-intersecting circles. A closed chain, in particular, is one in which every circle in the sequence is tangent to the previous and next circles of the chain. In a closed Steiner chain the first and the "n"th circles of the chain are also tangent…

  14. The chemistry and structure of ?222? CdO/Ag heterophase interfaces on an atomic scale

    NASA Astrophysics Data System (ADS)

    Chan, D. K.; Seidman, D. N.; Merkle, K. L.

    1996-03-01

    The chemistry and structure of {222} CdO/Ag (ceramic/metal) heterophase interfaces are determined with sub-nanometer chemical and structural spatial resolution employing atom-probe field-ion and high-resolution electron microscopies. The interfaces are produced in a controlled manner via internal oxidation of a Ag1.62at%Cd alloy, which results in the formation of CdO precipitates in a Ag matrix. The CdO precipitates are octahedral-shaped with facets on the {222} polar planes, and have a cube-on-cube orientation relationship with the Ag matrix. Atom-probe analyses are made along the chemically-ordered CdO <111>-type directions, thereby perpendicularly intersecting the {222} interfaces. A total of 35 {222} heterophase interfaces is chemically analyzed, of which 19 have the chemical sequence Ag|O|Cd|… and 16 the sequence Ag|Cd|O|…. High resolution electron microscopy analyses reveal that the {222} facet planes of the CdO precipitates con atomic height ledges, therefore indicating that the preciptates were in a coarsening stage. The combined atom-probe and high-resolution electron microscope results demonstrate that the chemistry of the terminating {222} facet plane of CdO is controlled by coarsening kinetics.

  15. The atomic orbitals of the topological atom.

    PubMed

    Ramos-Cordoba, Eloy; Salvador, Pedro; Mayer, István

    2013-06-07

    The effective atomic orbitals have been realized in the framework of Bader's atoms in molecules theory for a general wavefunction. This formalism can be used to retrieve from any type of calculation a proper set of orthonormalized numerical atomic orbitals, with occupation numbers that sum up to the respective Quantum Theory of Atoms in Molecules (QTAIM) atomic populations. Experience shows that only a limited number of effective atomic orbitals exhibit significant occupation numbers. These correspond to atomic hybrids that closely resemble the core and valence shells of the atom. The occupation numbers of the remaining effective orbitals are almost negligible, except for atoms with hypervalent character. In addition, the molecular orbitals of a calculation can be exactly expressed as a linear combination of this orthonormalized set of numerical atomic orbitals, and the Mulliken population analysis carried out on this basis set exactly reproduces the original QTAIM atomic populations of the atoms. Approximate expansion of the molecular orbitals over a much reduced set of orthogonal atomic basis functions can also be accomplished to a very good accuracy with a singular value decomposition procedure.

  16. "Bohr's Atomic Model."

    ERIC Educational Resources Information Center

    Willden, Jeff

    2001-01-01

    "Bohr's Atomic Model" is a small interactive multimedia program that introduces the viewer to a simplified model of the atom. This interactive simulation lets students build an atom using an atomic construction set. The underlying design methodology for "Bohr's Atomic Model" is model-centered instruction, which means the central model of the…

  17. Laser amplifier chain

    DOEpatents

    Hackel, Richard P.

    1992-01-01

    A laser amplifier chain has a plurality of laser amplifiers arranged in a chain to sequentially amplify a low-power signal beam to produce a significantly higher-power output beam. Overall efficiency of such a chain is improved if high-gain, low efficiency amplifiers are placed on the upstream side of the chain where only a very small fraction of the total pumped power is received by the chain and low-gain, high-efficiency amplifiers are placed on the downstream side where a majority of pumping energy is received by the chain.

  18. Laser amplifier chain

    DOEpatents

    Hackel, R.P.

    1992-10-20

    A laser amplifier chain has a plurality of laser amplifiers arranged in a chain to sequentially amplify a low-power signal beam to produce a significantly higher-power output beam. Overall efficiency of such a chain is improved if high-gain, low efficiency amplifiers are placed on the upstream side of the chain where only a very small fraction of the total pumped power is received by the chain and low-gain, high-efficiency amplifiers are placed on the downstream side where a majority of pumping energy is received by the chain. 6 figs.

  19. Observation of Individual Fluorine Atom from Highly Oriented Poly (tetrafluoroethylene) Films by Atomic Force Microscopy

    NASA Technical Reports Server (NTRS)

    Lee, Jonathan A.,; Paley, Mark S.

    1999-01-01

    Direct observation of the film thickness, molecular structure and individual fluorine atoms from highly oriented poly(tetrafluoroethylene) (PTFE) films were achieved using atomic force microscopy (AFM). A thin PTFE film is mechanically deposited onto a smooth glass substrate at specific temperatures by a friction transfer technique. Atomic resolution images of these films show that the chain-like helical structures of the PTFE macromolecules are aligned parallel to each other with an intermolecular spacing of 5.72 A, and individual fluorine atoms are clearly observed along these twisted molecular chains with an interatomic spacing of 2.75 A. Furthermore, the first direct AFM measurements for the radius of the fluorine-helix, and of the carbon-helix in sub-angstrom scale are reported as 1.70 A and 0.54 A respectively.

  20. Observation of Individual Fluorine Atoms from Highly Oriented Poly(Tetrafluoroethylene) Films by Atomic Force Microscopy

    NASA Technical Reports Server (NTRS)

    Lee, J. A.

    2000-01-01

    Direct observation of the film thickness, molecular structure, and individual fluorine atoms from highly oriented poly(tetrafluoroethylene) (PTFE) films were achieved using atomic force microscopy (AFM). A thin PTFE film is mechanically deposited onto a smooth glass substrate at specific temperatures by a friction-transfer technique. Atomic resolution images of these films show that the chain-like helical structures of the PTFE macromolecules are aligned parallel to each other with an intermolecular spacing of 5.72 A, and individual fluorine atoms are clearly observed along these twisted molecular chains with an interatomic spacing of 2.75 A. Furthermore, the first direct AFM measurements for the radius of the fluorine-helix, and of the carbon-helix in sub-angstrom scale are reported as 1.7 and 0.54 A respectively.

  1. Magnetic conveyor belt for transporting and merging trapped atom clouds.

    PubMed

    Hänsel, W; Reichel, J; Hommelhoff, P; Hänsch, T W

    2001-01-22

    We demonstrate an integrated magnetic device which transports cold atoms near a surface with very high positioning accuracy. Time-dependent currents in a lithographic conductor pattern create a moving chain of potential wells; atoms are transported in these wells while remaining confined in all three dimensions. We achieve mean fluxes up to 10(6) s(-1) with a negligible heating rate. An extension of this device allows merging of atom clouds by unification of two Ioffe-Pritchard potentials. The unification, which we demonstrate experimentally, can be performed without loss of phase space density. This novel, all-magnetic atom manipulation offers exciting perspectives, such as trapped-atom interferometry.

  2. Atomic Energy Basics, Understanding the Atom Series.

    ERIC Educational Resources Information Center

    Atomic Energy Commission, Oak Ridge, TN. Div. of Technical Information.

    This booklet is part of the "Understanding the Atom Series," though it is a later edition and not included in the original set of 51 booklets. A basic survey of the principles of nuclear energy and most important applications are provided. These major topics are examined: matter has molecules and atoms, the atom has electrons, the nucleus,…

  3. Structure of Human Ferritin L Chain

    SciTech Connect

    Wang,Z.; Li, C.; Ellenburg, M.; Soistman, E.; Ruble, J.; Wright, B.; Ho, J.; Carter, D.

    2006-01-01

    Ferritin is the major iron-storage protein present in all cells. It generally contains 24 subunits, with different ratios of heavy chain (H) to light chain (L), in the shape of a hollow sphere hosting up to 4500 ferric Fe atoms inside. H-rich ferritins catalyze the oxidation of iron(II), while L-rich ferritins promote the nucleation and storage of iron(III). Several X-ray structures have been determined, including those of L-chain ferritins from horse spleen (HoSF), recombinant L-chain ferritins from horse (HoLF), mouse (MoLF) and bullfrog (BfLF) as well as recombinant human H-chain ferritin (HuHF). Here, structures have been determined of two crystal forms of recombinant human L-chain ferritin (HuLF) obtained from native and perdeuterated proteins. The structures show a cluster of acidic residues at the ferrihydrite nucleation site and at the iron channel along the threefold axis. An ordered Cd{sup 2+} structure is observed within the iron channel, offering further insight into the route and mechanism of iron transport into the capsid. The loop between helices D and E, which is disordered in many other L-chain structures, is clearly visible in these two structures. The crystals generated from perdeuterated HuLF will be used for neutron diffraction studies.

  4. Realization of a Quantum Integer-Spin Chain with Controllable Interactions

    DTIC Science & Technology

    2015-06-17

    Areas: Atomic and Molecular Physics, Condensed Matter Physics, Quantum Physics I. INTRODUCTION Amajor area of current research is devoted to developing...protocols or for simulating lattice spin models. In this paper, we use trapped atomic ions to simulate a chain of spin-1 particles with tunable, long- range...IMPLEMENTATION The spin-1 chain is represented by a string of 171Ybþ atoms held in a linear Paul trap. Three hyperfine levels in the 2S1=2 ground

  5. High Precision Atomic Mass Measurements: Tests of CVC and IMME

    NASA Astrophysics Data System (ADS)

    Eronen, Tommi

    2011-11-01

    Atomic mass is one of the key ingredients in testing the Conserved Vector Current (CVC) hypothesis and Isobaric Mass Multiplet Equation (IMME). With JYFLTRAP Penning trap installation at the University of Jyväskylä, Finland, several atomic massses related to these studies have been measured. The performed atomic mass measurements for CVC tests cover almost all the nuclei that are relevant for these studies. To test IMME, masses in two isobaric mass chains (A = 23 and A = 32) have been determined.

  6. High Precision Atomic Mass Measurements: Tests of CVC and IMME

    SciTech Connect

    Eronen, Tommi; Collaboration: JYFLTRAP Collaboration

    2011-11-30

    Atomic mass is one of the key ingredients in testing the Conserved Vector Current (CVC) hypothesis and Isobaric Mass Multiplet Equation (IMME). With JYFLTRAP Penning trap installation at the University of Jyvaeskylae, Finland, several atomic massses related to these studies have been measured. The performed atomic mass measurements for CVC tests cover almost all the nuclei that are relevant for these studies. To test IMME, masses in two isobaric mass chains (A = 23 and A = 32) have been determined.

  7. o-, m-, and p-Pyridyl isomer effects on construction of 1D loop-and-chains: Silver(I) coordination polymers with Y-type tridentate ligands

    NASA Astrophysics Data System (ADS)

    Kim, Jeong Gyun; Cho, Yoonjung; Lee, Haeri; Lee, Young-A.; Jung, Ok-Sang

    2016-10-01

    Self-assembly of silver(I) hexafluorophosphate with unique Y-type tridentate ligands (2,6-bis[(2-picolinoyloxy-5-methylphenyl)methyl]-p-tolylpicolinate (o-L), 2-nicotinoyloxy- (m-L), and 2-isonicotinoyloxy- (p-L)) produces single crystals consisting of 1D loop-and-chain coordination polymers of [Ag(o-L)](PF6)·Me2CO·CHCl3, [Ag(m-L)](PF6)·Me2CO, and [Ag3(p-L)2](PF6)3·2H2O·2C2H5OH·4CH2Cl2 with quite different trigonal prismatic, trigonal, and linear silver(I) coordination geometry, respectively. Coordinating ability of the three ligands for AgPF6 is in the order of p-L > o-L > m-L. The solvate molecules of [Ag(o-L)](PF6)·Me2CO·CHCl3 can be removed, and be replaced reversibly in the order of acetone ≫ chloroform ≈ dichloromethane ≫ benzene, without destruction of its skeleton.

  8. Single color upconversion emission in Ho 3+/Yb 3+ and Tm 3+/Yb 3+ doped P 2O 5-MgO 2-Sb 2O 3-MnO 2-AgO glasses

    NASA Astrophysics Data System (ADS)

    Ming, Chengguo; Song, Feng; Hou, Jing; Yu, Yin; Zhang, Gong; Yu, Hua; Sun, Tongqing; Tian, Jianguo

    2011-06-01

    The Ho 3+/Yb 3+ and Tm 3+/Yb 3+ doped P 2O 5-MgO 2-Sb 2O 3-MnO 2-AgO glasses were prepared by high temperature melting method. Under a 975 nm laser diode (LD) excitation, the single red and single blue upconversion (UC) emissions were observed in Ho 3+/Yb 3+ and Tm 3+/Yb 3+ doped samples, respectively. By studying the spontaneous radiative and multiphonon relaxation probabilities, we find that the multiphonon relaxation probability of 5I 6 (Ho 3+) state is very large (1.39 × 10 6 s - 1 ), which is helpful to the population of 5I 7 state. The multiphonon relaxation probability of 3H 5 and 3F 2,3 (Tm 3+) is also very large, which results in lots of population in 3F 4 and 3H 4 states. The results are that the red UC emission of Ho 3+ and the blue UC emission of Tm 3+ are stronger.

  9. Gushing metal chain

    NASA Astrophysics Data System (ADS)

    Belyaev, Alexander; Sukhanov, Alexander; Tsvetkov, Alexander

    2016-03-01

    This article addresses the problem in which a chain falls from a glass from some height. This phenomenon demonstrates a paradoxical rise of the chain over the glass. To explain this effect, an initial hypothesis and an appropriate theory are proposed for calculating the steady fall parameters of the chain. For this purpose, the modified Cayley's problem of falling chain given its rise due to the centrifugal force of upward inertia is solved. Results show that the lift caused by an increase in linear density at the part of chain where it is being bent (the upper part) is due to the convergence of the chain balls to one another. The experiments confirm the obtained estimates of the lifting chain.

  10. Structure of confined films of chain alcohols

    SciTech Connect

    Mugele, F.; Baldelli, S.; Somorjai, G.A.; Salmeron, M.

    2000-04-13

    The structure of thin films of simple chain alcohols (1-octanol and 1-undecanol) confined between two atomically smooth mica surfaces has been investigated using a surface forces apparatus. Contact angle measurements and optical sum frequency generation were used for additional characterization. In both systems, the substrate-molecule interaction leads to a strongly bound first layer on each surface. Additional liquid organizes into highly compressible bilayers, which could be expelled by applying sufficiently high pressure.

  11. MEANS FOR PRODUCING PLUTONIUM CHAIN REACTIONS

    DOEpatents

    Wigner, E.P.; Weinberg, A.M.

    1961-01-24

    A neutronic reactor is described with an active portion capable of operating at an energy level of 0.5 to 1000 ev comprising discrete bodies of Pu/ sup 239/ disposed in a body of water which contains not more than 5 molecules of water to one atom of plutonium, the total amount of Pu/sup 239/ being sufficient to sustain a chain reaction. (auth)

  12. Neutral atom traps.

    SciTech Connect

    Pack, Michael Vern

    2008-12-01

    This report describes progress in designing a neutral atom trap capable of trapping sub millikelvin atom in a magnetic trap and shuttling the atoms across the atom chip from a collection area to an optical cavity. The numerical simulation and atom chip design are discussed. Also, discussed are preliminary calculations of quantum noise sources in Kerr nonlinear optics measurements based on electromagnetically induced transparency. These types of measurements may be important for quantum nondemolition measurements at the few photon limit.

  13. Chain entanglements. I. Theory

    NASA Astrophysics Data System (ADS)

    Fixman, Marshall

    1988-09-01

    A model of concentrated polymer solution dynamics is described. The forces in a linear generalized Langevin equation for the motion of a probe chain are derived on the assumption that all relaxation of the forces is due to motion of the surrounding matrix. Vicinal chain displacements are classified as viscoelastic deformation, reptation, and minor residual fluctuations. The latter provide a torsional relaxation of the primitive path that minimizes the significance of transverse forces on the probe chain. All displacements of vicinal segments are assumed proportional to the forces that they exert on the probe chain. In response to an external force, the displacement of the probe chain relative to a laboratory frame is increased by viscoelastic deformation of the matrix, but reptative diffusion relative to the deforming matrix is slowed down. The net effect on translational diffusion is negligible if the probe and vicinal chains have the same chain length N, but the friction constant for reptative motion is increased by a factor N1-xs. xs=1/2 if Gaussian conformational statistics applies during the disengagement process, while xs =0.6 if excluded volume statistics applies. The translational friction constant is βp ˜N2, as in reptation theory, but the viscosity is η˜N4-xs . The persistence of entanglements during the translational diffusion of the probe chain across many radii of gyration is rationalized pictorially in terms of correlated reptative motion of the probe and vicinal chains.

  14. Supply chain planning classification

    NASA Astrophysics Data System (ADS)

    Hvolby, Hans-Henrik; Trienekens, Jacques; Bonde, Hans

    2001-10-01

    Industry experience a need to shift in focus from internal production planning towards planning in the supply network. In this respect customer oriented thinking becomes almost a common good amongst companies in the supply network. An increase in the use of information technology is needed to enable companies to better tune their production planning with customers and suppliers. Information technology opportunities and supply chain planning systems facilitate companies to monitor and control their supplier network. In spite if these developments, most links in today's supply chains make individual plans, because the real demand information is not available throughout the chain. The current systems and processes of the supply chains are not designed to meet the requirements now placed upon them. For long term relationships with suppliers and customers, an integrated decision-making process is needed in order to obtain a satisfactory result for all parties. Especially when customized production and short lead-time is in focus. An effective value chain makes inventory available and visible among the value chain members, minimizes response time and optimizes total inventory value held throughout the chain. In this paper a supply chain planning classification grid is presented based current manufacturing classifications and supply chain planning initiatives.

  15. Energy band modulation of graphane by hydrogen-vacancy chains: A first-principles study

    SciTech Connect

    Wu, Bi-Ru; Yang, Chih-Kai

    2014-08-15

    We investigated a variety of configurations of hydrogen-vacancy chains in graphane by first-principles density functional calculation. We found that graphane with two zigzag H-vacancy chains segregated by one or more H chain is generally a nonmagnetic conductor or has a negligible band gap. However, the same structure is turned into a semiconductor and generates a magnetic moment if either one or both of the vacancy chains are blocked by isolated H atoms. If H-vacancy chains are continuously distributed, the structure is similar to a zigzag graphene nanoribbon embedded in graphane. It was also found that the embedded zigzag graphene nanoribbon is antiferromagnetic, and isolated H atoms left in the 2-chain nanoribbon can tune the band gap and generate net magnetic moments. Similar effects are also obtained if bare carbon atoms are present outside the nanoribbon. These results are useful for designing graphene-based nanoelectronic circuits.

  16. Atomic Particle Detection, Understanding the Atom Series.

    ERIC Educational Resources Information Center

    Hellman, Hal

    This booklet is one of the booklets in the "Understanding the Atom Series" published by the U. S. Atomic Energy Commission for high school science teachers and their students. The instruments used to detect both particles and electromagnetic radiation that emerge from the nucleus are described. The counters reviewed include ionization chambers,…

  17. Atomic Fuel, Understanding the Atom Series. Revised.

    ERIC Educational Resources Information Center

    Hogerton, John F.

    This publication is part of the "Understanding the Atom" series. Complete sets of the series are available free to teachers, schools, and public librarians who can make them available for reference or use by groups. Among the topics discussed are: What Atomic Fuel Is; The Odyssey of Uranium; Production of Uranium; Fabrication of Reactor…

  18. Robustness of discrete semifluxons in closed Bose-Hubbard chains

    NASA Astrophysics Data System (ADS)

    Gallemí, A.; Guilleumas, M.; Martorell, J.; Mayol, R.; Polls, A.; Juliá-Díaz, B.

    2016-07-01

    We present the properties of the ground state and low-energy excitations of Bose-Hubbard chains with a geometry that varies from open to closed and with a tunable twisted link. In the vicinity of the symmetric π-flux case the system behaves as an interacting gas of discrete semifluxons for finite chains and interactions in the Josephson regime. The energy spectrum of the system is studied by direct diagonalization and by solving the corresponding Bogoliubov-de Gennes equations. The atom-atom interactions are found to enhance the presence of strongly correlated macroscopic superpositions of semifluxons.

  19. Smallest Nanoelectronic with Atomic Devices with Precise Structures

    NASA Technical Reports Server (NTRS)

    Yamada, Toshishige

    2000-01-01

    Since its invention in 1948, the transistor has revolutionized our everyday life - transistor radios and TV's appeared in the early 1960s, personal computers came into widespread use in the mid-1980s, and cellular phones, laptops, and palm-sized organizers dominated the 1990s. The electronics revolution is based upon transistor miniaturization; smaller transistors are faster, and denser circuitry has more functionality. Transistors in current generation chips are 0.25 micron or 250 nanometers in size, and the electronics industry has completed development of 0.18 micron transistors which will enter production within the next few years. Industry researchers are now working to reduce transistor size down to 0.13 micron - a thousandth of the width of a human hair. However, studies indicate that the miniaturization of silicon transistors will soon reach its limit. For further progress in microelectronics, scientists have turned to nanotechnology to advance the science. Rather than continuing to miniaturize transistors to a point where they become unreliable, nanotechnology offers the new approach of building devices on the atomic scale [see sidebar]. One vision for the next generation of miniature electronics is atomic chain electronics, where devices are composed of atoms aligned on top of a substrate surface in a regular pattern. The Atomic Chain Electronics Project (ACEP) - part of the Semiconductor Device Modeling and Nanotechnology group, Integrated Product Team at the NAS Facility has been developing the theory of understanding atomic chain devices, and the author's patent for atomic chain electronics is now pending.

  20. Chain Reaction Polymerization.

    ERIC Educational Resources Information Center

    McGrath, James E.

    1981-01-01

    The salient features and importance of chain-reaction polymerization are discussed, including such topics as the thermodynamics of polymerization, free-radical polymerization kinetics, radical polymerization processes, copolymers, and free-radical chain, anionic, cationic, coordination, and ring-opening polymerizations. (JN)

  1. Critical Chain Exercises

    ERIC Educational Resources Information Center

    Doyle, John Kevin

    2010-01-01

    Critical Chains project management focuses on holding buffers at the project level vs. task level, and managing buffers as a project resource. A number of studies have shown that Critical Chain project management can significantly improve organizational schedule fidelity (i.e., improve the proportion of projects delivered on time) and reduce…

  2. Presenting the Bohr Atom.

    ERIC Educational Resources Information Center

    Haendler, Blanca L.

    1982-01-01

    Discusses the importance of teaching the Bohr atom at both freshman and advanced levels. Focuses on the development of Bohr's ideas, derivation of the energies of the stationary states, and the Bohr atom in the chemistry curriculum. (SK)

  3. Atoms in Action

    SciTech Connect

    2009-01-01

    This movie produced with Berkeley Lab's TEAM 0.5 microscope shows the growth of a hole and the atomic edge reconstruction in a graphene sheet. An electron beam focused to a spot on the sheet blows out the exposed carbon atoms to make the hole. The carbon atoms then reposition themselves to find a stable configuration. http://newscenter.lbl.gov/press-releases/2009/03/26/atoms-in-action/

  4. HYDROGEN ATOM THERMAL PARAMETERS.

    PubMed

    JENSEN, L H; SUNDARALINGAM, M

    1964-09-11

    Isotropic hydrogen atom thermal parameters for N,N'- hexamethylenebispropionamide have been determined. They show a definite trend and vary from approximately the same as the mean thermal parameters for atoms other than hydrogen near the center of the molecule to appreciably greater for atoms near the end. The indicated trend for this compound, along with other results, provides the basis for a possible explanation of the anomolous values that have been obtained for hydrogen atom thermal parameters.

  5. Atomizing nozzle and process

    DOEpatents

    Anderson, I.E.; Figliola, R.S.; Molnar, H.M.

    1993-07-20

    High pressure atomizing nozzle includes a high pressure gas manifold having a divergent expansion chamber between a gas inlet and arcuate manifold segment to minimize standing shock wave patterns in the manifold and thereby improve filling of the manifold with high pressure gas for improved melt atomization. The atomizing nozzle is especially useful in atomizing rare earth-transition metal alloys to form fine powder particles wherein a majority of the powder particles exhibit particle sizes having near-optimum magnetic properties.

  6. Atomizing nozzle and process

    DOEpatents

    Anderson, Iver E.; Figliola, Richard S.; Molnar, Holly M.

    1992-06-30

    High pressure atomizing nozzle includes a high pressure gas manifold having a divergent expansion chamber between a gas inlet and arcuate manifold segment to minimize standing shock wave patterns in the manifold and thereby improve filling of the manifold with high pressure gas for improved melt atomization. The atomizing nozzle is especially useful in atomizing rare earth-transition metal alloys to form fine powder particles wherein a majority of the powder particles exhibit particle sizes having near-optimum magnetic properties.

  7. Plasmon resonances in linear noble-metal chains

    NASA Astrophysics Data System (ADS)

    Gao, Bin; Ruud, Kenneth; Luo, Yi

    2012-11-01

    The electronic excitations of three noble-metall chains—copper, silver, and gold—have been investigated at the time-dependent density functional theory level. The reduced single-electron density matrix is propagated according to the Liouville-von Neumann equation in the real-time domain after an impulse excitation. The propagation in the real-time domain enables us to investigate the formation and size evolution of electronic excitations in these metallic chains with different number of atoms, up to a total of 26 atoms. The longitudinal oscillations at lower excitation energies are dominated by s → p transitions in these chains and have collective or central resonances, while the first peak involving d → p transitions in the longitudinal mode appears at a higher excitation energy and shows collective resonances. In the transverse oscillations, there are in most cases d → p transitions in each resonance, which can be attributed to either central or end resonances. Convergence of the oscillations, in particular those involving the collective and central resonances in the three noble-metal chains can only be observed for chains with 18 atoms or more. Different spectroscopic characteristics among these three metallic chains can be attributed to their different electronic structures, in particular the relativistic effects in the gold chains have a dramatic effect on their electronic structures and excitations.

  8. The Nature of Atoms.

    ERIC Educational Resources Information Center

    Holden, Alan

    This monograph was written for the purpose of presenting physics to college students who are not preparing for careers in physics. It deals with the nature of atoms, and treats the following topics: (1) the atomic hypothesis, (2) the chemical elements, (3) models of an atom, (4) a particle in a one-dimensional well, (5) a particle in a central…

  9. Atomic Spectra Database (ASD)

    National Institute of Standards and Technology Data Gateway

    SRD 78 NIST Atomic Spectra Database (ASD) (Web, free access)   This database provides access and search capability for NIST critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-to-date. The NIST Atomic Spectroscopy Data Center has carried out these critical compilations.

  10. Images of Atoms.

    ERIC Educational Resources Information Center

    Wright, Tony

    2003-01-01

    Recommends using a simple image, such as the fuzzy atom ball to help students develop a useful understanding of the molecular world. Explains that the image helps students easily grasp ideas about atoms and molecules and leads naturally to more advanced ideas of atomic structure, chemical bonding, and quantum physics. (Author/NB)

  11. Single atom electrochemical and atomic analytics

    NASA Astrophysics Data System (ADS)

    Vasudevan, Rama

    In the past decade, advances in electron and scanning-probe based microscopies have led to a wealth of imaging and spectroscopic data with atomic resolution, yielding substantial insight into local physics and chemistry in a diverse range of systems such as oxide catalysts, multiferroics, manganites, and 2D materials. However, typical analysis of atomically resolved images is limited, despite the fact that image intensities and distortions of the atoms from their idealized positions contain unique information on the physical and chemical properties inherent to the system. Here, we present approaches to data mine atomically resolved images in oxides, specifically in the hole-doped manganite La5/8Ca3/8MnO3, on epitaxial films studied by in-situ scanning tunnelling microscopy (STM). Through application of bias to the STM tip, atomic-scale electrochemistry is demonstrated on the manganite surface. STM images are then further analyzed through a suite of algorithms including 2D autocorrelations, sliding window Fourier transforms, and others, and can be combined with basic thermodynamic modelling to reveal relevant physical and chemical descriptors including segregation energies, existence and strength of atomic-scale diffusion barriers, surface energies and sub-surface chemical species identification. These approaches promise to provide tremendous insights from atomically resolved functional imaging, can provide relevant thermodynamic parameters, and auger well for use with first-principles calculations to yield quantitative atomic-level chemical identification and structure-property relations. This research was sponsored by the Division of Materials Sciences and Engineering, BES, DOE. Research was conducted at the Center for Nanophase Materials Sciences, which also provided support and is a DOE Office of Science User Facility.

  12. Multilevel Atomic Coherent States and Atomic Holomorphic Representation

    NASA Technical Reports Server (NTRS)

    Cao, Chang-Qi; Haake, Fritz

    1996-01-01

    The notion of atomic coherent states is extended to the case of multilevel atom collective. Based on atomic coherent states, a holomorphic representation for atom collective states and operators is defined. An example is given to illustrate its application.

  13. Supply chain assessment methodology.

    PubMed

    Topor, E

    2000-08-01

    This article describes an assessment methodology based on the supply chain proficiency model that can be used to set realistic supply chain objectives. The assessment centers on a business model that identifies the logical stages of supply chain proficiency as measured against a comprehensive set of business characteristics. For each characteristic, an enterprise evolves from one stage to the next. The magnitude of change inherent in moving forward usually prohibits skipping stages. Although it is possible to be at different stages for each characteristic, it is usually desirable to maintain balance.

  14. Selected spectroscopic results on element 115 decay chains

    SciTech Connect

    Rudolph, D.; Forsberg, U.; Golubev, P.; Sarmiento, L. G.; Yakushev, A.; Andersson, L. -L.; Di Nitto, A.; Düllmann, Ch. E.; Gates, J. M.; Gregorich, K. E.; Gross, C. J.; Herzberg, R. -D.; Heßberger, F. P.; Khuyagbaatar, J.; Kratz, J. V.; Rykaczewski, K.; Schädel, M.; Åberg, S.; Ackermann, D.; Block, M.; Brand, H.; Carlsson, B. G.; Cox, D.; Derkx, X.; Eberhardt, K.; Even, J.; Fahlander, C.; Gerl, J.; Jäger, E.; Kindler, B.; Krier, J.; Kojouharov, I.; Kurz, N.; Lommel, B.; Mistry, A.; Mokry, C.; Nitsche, H.; Omtvedt, J. P.; Papadakis, P.; Ragnarsson, I.; Runke, J.; Schaffner, H.; Schausten, B.; Thörle-Pospiech, P.; Torres, T.; Traut, T.; Trautmann, N.; Türler, A.; Ward, A.; Ward, D. E.; Wiehl, N.

    2014-08-24

    We observed thirty correlated α-decay chains in an experiment studying the fusion-evaporation reaction 48Ca + 243Am at the GSI Helmholtzzentrum fur Schwerionenforschung. The decay characteristics of the majority of these 30 chains are consistent with previous observations and interpretations of such chains to originate from isotopes of element Z = 115. High-resolution α-photon coincidence spectroscopy in conjunction with comprehensive Monte-Carlo simulations allow to propose excitation schemes of atomic nuclei of the heaviest elements, thereby probing nuclear structure models near the 'Island of Stability' with unprecedented experimental precision.

  15. Selected spectroscopic results on element 115 decay chains

    DOE PAGES

    Rudolph, D.; Forsberg, U.; Golubev, P.; ...

    2014-08-24

    We observed thirty correlated α-decay chains in an experiment studying the fusion-evaporation reaction 48Ca + 243Am at the GSI Helmholtzzentrum fur Schwerionenforschung. The decay characteristics of the majority of these 30 chains are consistent with previous observations and interpretations of such chains to originate from isotopes of element Z = 115. High-resolution α-photon coincidence spectroscopy in conjunction with comprehensive Monte-Carlo simulations allow to propose excitation schemes of atomic nuclei of the heaviest elements, thereby probing nuclear structure models near the 'Island of Stability' with unprecedented experimental precision.

  16. Sulfide bonded atomic radii

    NASA Astrophysics Data System (ADS)

    Gibbs, G. V.; Ross, N. L.; Cox, D. F.

    2017-03-01

    The bonded radius, r b(S), of the S atom, calculated for first- and second-row non-transition metal sulfide crystals and third-row transition metal sulfide molecules and crystals indicates that the radius of the sulfur atom is not fixed as traditionally assumed, but that it decreases systematically along the bond paths of the bonded atoms with decreasing bond length as observed in an earlier study of the bonded radius of the oxygen atom. When bonded to non-transition metal atoms, r b(S) decreases systematically with decreasing bond length from 1.68 Å when the S atom is bonded to the electropositive VINa atom to 1.25 Å when bonded to the more electronegative IVP atom. In the case of transition metal atoms, rb(S) likewise decreases with decreasing bond length from 1.82 Å when bonded to Cu and to 1.12 Å when bonded to Fe. As r b(S) is not fixed at a given value but varies substantially depending on the bond length and the field strength of the bonded atoms, it is apparent that sets of crystal and atomic sulfide atomic radii based on an assumed fixed radius for the sulfur atom are satisfactory in that they reproduce bond lengths, on the one hand, whereas on the other, they are unsatisfactory in that they fail to define the actual sizes of the bonded atoms determined in terms of the minima in the electron density between the atoms. As such, we urge that the crystal chemistry and the properties of sulfides be studied in terms of the bond lengths determined by adding the radii of either the atomic and crystal radii of the atoms but not in terms of existing sets of crystal and atomic radii. After all, the bond lengths were used to determine the radii that were experimentally determined, whereas the individual radii were determined on the basis of an assumed radius for the sulfur atom.

  17. Quantum spin transistor with a Heisenberg spin chain

    PubMed Central

    Marchukov, O. V.; Volosniev, A. G.; Valiente, M.; Petrosyan, D.; Zinner, N. T.

    2016-01-01

    Spin chains are paradigmatic systems for the studies of quantum phases and phase transitions, and for quantum information applications, including quantum computation and short-distance quantum communication. Here we propose and analyse a scheme for conditional state transfer in a Heisenberg XXZ spin chain which realizes a quantum spin transistor. In our scheme, the absence or presence of a control spin excitation in the central gate part of the spin chain results in either perfect transfer of an arbitrary state of a target spin between the weakly coupled input and output ports, or its complete blockade at the input port. We also discuss a possible proof-of-concept realization of the corresponding spin chain with a one-dimensional ensemble of cold atoms with strong contact interactions. Our scheme is generally applicable to various implementations of tunable spin chains, and it paves the way for the realization of integrated quantum logic elements. PMID:27721438

  18. Managing Supply Chain Disruptions

    DTIC Science & Technology

    2008-08-09

    functions within and across organizations (CSCMP, 2005). Mentzer et al. (2001) characterize SCM as a philosophy that includes a systems approach with...150 vi LIST OF TABLES Table 2.1. Prominent Supply Chain Related System Theory...process. It is not a matter of a supply chain system encountering a problem, but rather a matter of when a problematic event will occur and how severe

  19. Platinum atomic wire encapsulated in gold nanotubes: A first principle study

    SciTech Connect

    Nigam, Sandeep Majumder, Chiranjib; Sahoo, Suman K.; Sarkar, Pranab

    2014-04-24

    The nanotubes of gold incorporated with platinum atomic wire have been investigated by means of firstprinciples density functional theory with plane wave pseudopotential approximation. The structure with zig-zag chain of Pt atoms in side gold is found to be 0.73 eV lower in energy in comparison to straight chain of platinum atoms. The Fermi level of the composite tube was consisting of d-orbitals of Pt atoms. Further interaction of oxygen with these tubes reveals that while tube with zig-zag Pt prefers dissociative adsorption of oxygen molecule, the gold tube with linear Pt wire favors molecular adsorption.

  20. Graphite filter atomizer in atomic absorption spectrometry

    NASA Astrophysics Data System (ADS)

    Katskov, Dmitri A.

    2007-09-01

    Graphite filter atomizers (GFA) for electrothermal atomic absorption spectrometry (ETAAS) show substantial advantages over commonly employed electrothermal vaporizers and atomizers, tube and platform furnaces, for direct determination of high and medium volatility elements in matrices associated with strong spectral and chemical interferences. Two factors provide lower limits of detection and shorter determination cycles with the GFA: the vaporization area in the GFA is separated from the absorption volume by a porous graphite partition; the sample is distributed over a large surface of a collector in the vaporization area. These factors convert the GFA into an efficient chemical reactor. The research concerning the GFA concept, technique and analytical methodology, carried out mainly in the author's laboratory in Russia and South Africa, is reviewed. Examples of analytical applications of the GFA in AAS for analysis of organic liquids and slurries, bio-samples and food products are given. Future prospects for the GFA are discussed in connection with analyses by fast multi-element AAS.

  1. Metal atom oxidation laser

    DOEpatents

    Jensen, R.J.; Rice, W.W.; Beattie, W.H.

    1975-10-28

    A chemical laser which operates by formation of metal or carbon atoms and reaction of such atoms with a gaseous oxidizer in an optical resonant cavity is described. The lasing species are diatomic or polyatomic in nature and are readily produced by exchange or other abstraction reactions between the metal or carbon atoms and the oxidizer. The lasing molecules may be metal or carbon monohalides or monoxides. (auth)

  2. Metal atom oxidation laser

    DOEpatents

    Jensen, R.J.; Rice, W.W.; Beattie, W.H.

    1975-10-28

    A chemical laser which operates by formation of metal or carbon atoms and reaction of such atoms with a gaseous oxidizer in an optical resonant cavity is described. The lasing species are diatomic or polyatomic in nature and are readily produced by exchange or other abstraction reactions between the metal or carbon atoms and the oxidizer. The lasing molecules may be metal or carbon monohalides or monoxides.

  3. Electrochemical Atomic Layer Processing

    DTIC Science & Technology

    1994-06-25

    where an atomic layer of an element is deposited , or removed, in a surface limited reaction. The potentials used are referred to as underpotentials in...the electrochemical literature. The atomic layer deposition process is referred to as underpotential deposition (UPD). 14. SUBJECT TERMS 15, NUMBER OF...reaction. The potentials used are referred to as underpotentials in the electrochemical literature. The atomic layer deposition process is referred to as

  4. The Software Atom

    NASA Astrophysics Data System (ADS)

    Javanainen, Juha

    2017-03-01

    By putting together an abstract view on quantum mechanics and a quantum-optics picture of the interactions of an atom with light, we develop a corresponding set of C++ classes that set up the numerical analysis of an atom with an arbitrary set of angular-momentum degenerate energy levels, arbitrary light fields, and an applied magnetic field. As an example, we develop and implement perturbation theory to compute the polarizability of an atom in an experimentally relevant situation.

  5. Atomicity in Electronic Commerce,

    DTIC Science & Technology

    1996-01-01

    tremendous demand for the ability to electronically buy and sell goods over networks. Electronic commerce has inspired a large variety of work... commerce . It then briefly surveys some major types of electronic commerce pointing out flaws in atomicity. We pay special attention to the atomicity...problems of proposals for digital cash. The paper presents two examples of highly atomic electronic commerce systems: NetBill and Cryptographic Postage Indicia.

  6. Advances in atomic physics

    PubMed Central

    El-Sherbini, Tharwat M.

    2013-01-01

    In this review article, important developments in the field of atomic physics are highlighted and linked to research works the author was involved in himself as a leader of the Cairo University – Atomic Physics Group. Starting from the late 1960s – when the author first engaged in research – an overview is provided of the milestones in the fascinating landscape of atomic physics. PMID:26425356

  7. Atomic Oxygen Effects

    NASA Technical Reports Server (NTRS)

    Miller, Sharon K. R.

    2014-01-01

    Atomic oxygen, which is the most predominant species in low Earth orbit, is highly reactive and can break chemical bonds on the surface of a wide variety of materials leading to volatilization or surface oxidation which can result in failure of spacecraft materials and components. This presentation will give an overview of how atomic oxygen reacts with spacecraft materials, results of space exposure testing of a variety of materials, and examples of failures caused by atomic oxygen.

  8. Improved graphite furnace atomizer

    DOEpatents

    Siemer, D.D.

    1983-05-18

    A graphite furnace atomizer for use in graphite furnace atomic absorption spectroscopy is described wherein the heating elements are affixed near the optical path and away from the point of sample deposition, so that when the sample is volatilized the spectroscopic temperature at the optical path is at least that of the volatilization temperature, whereby analyteconcomitant complex formation is advantageously reduced. The atomizer may be elongated along its axis to increase the distance between the optical path and the sample deposition point. Also, the atomizer may be elongated along the axis of the optical path, whereby its analytical sensitivity is greatly increased.

  9. Hybrid ion chains inside an optical cavity

    NASA Astrophysics Data System (ADS)

    Zhou, Zichao; Siverns, James; Quraishi, Qudsia

    2016-05-01

    Trapped ions remain a leading candidate for the implementation of large-scale quantum networks. These networks require nodes that can store and process quantum information as well as communicate with each other though photonic flying qubits. We propose to use hybrid ion chains of barium, for communication, and ytterbium, for quantum information processing. We report on progress in setting up a hybrid ion chain in a versatile four-blade trap using high numerical aperture collection optics. Although the visible photons produced from barium ions are more favorable as they are not suitable for long distance fiber communication. With this in mind, we intend to implement frequency conversion to overcome this issue. Also, with the view toward increasing the flying-qubit production rate, we propose a cavity-based system to enhance interactions between the ions and photons. The cavity axis is to be placed along the axial direction of the trap allowing a chain of multiple ions to interact with the cavity at the same time. With this configuration the atom-photon coupling strength can be improved by sqrt(N), where N is the number of ions. Experiments will focus on exploring the dynamics of hybrid ion chain, dual species quantum information processing, two-colour entanglement and phase gates assisted by the ion-cavity coupling are to be explored.

  10. Freezing distributed entanglement in spin chains

    SciTech Connect

    D'Amico, Irene; Lovett, Brendon W.; Spiller, Timothy P.

    2007-09-15

    We show how to freeze distributed entanglement that has been created from the natural dynamics of spin chain systems. The technique that we propose simply requires single-qubit operations and isolates the entanglement in specific qubits at the ends of branches. Such frozen entanglement provides a useful resource, for example for teleportation or distributed quantum processing. The scheme can be applied to a wide range of systems--including actual spin systems and alternative qubit embodiments in strings of quantum dots, molecules, or atoms.

  11. Atomic Oxygen Fluence Monitor

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.

    2011-01-01

    This innovation enables a means for actively measuring atomic oxygen fluence (accumulated atoms of atomic oxygen per area) that has impinged upon spacecraft surfaces. Telemetered data from the device provides spacecraft designers, researchers, and mission managers with real-time measurement of atomic oxygen fluence, which is useful for prediction of the durability of spacecraft materials and components. The innovation is a compact fluence measuring device that allows in-space measurement and transmittance of measured atomic oxygen fluence as a function of time based on atomic oxygen erosion yields (the erosion yield of a material is the volume of material that is oxidized per incident oxygen atom) of materials that have been measured in low Earth orbit. It has a linear electrical response to atomic oxygen fluence, and is capable of measuring high atomic oxygen fluences (up to >10(exp 22) atoms/sq cm), which are representative of multi-year low-Earth orbital missions (such as the International Space Station). The durability or remaining structural lifetime of solar arrays that consist of polymer blankets on which the solar cells are attached can be predicted if one knows the atomic oxygen fluence that the solar array blanket has been exposed to. In addition, numerous organizations that launch space experiments into low-Earth orbit want to know the accumulated atomic oxygen fluence that their materials or components have been exposed to. The device is based on the erosion yield of pyrolytic graphite. It uses two 12deg inclined wedges of graphite that are over a grit-blasted fused silica window covering a photodiode. As the wedges erode, a greater area of solar illumination reaches the photodiode. A reference photodiode is also used that receives unobstructed solar illumination and is oriented in the same direction as the pyrolytic graphite covered photodiode. The short-circuit current from the photodiodes is measured and either sent to an onboard data logger, or

  12. Evanescent Wave Atomic Mirror

    NASA Astrophysics Data System (ADS)

    Ghezali, S.; Taleb, A.

    2008-09-01

    A research project at the "Laboratoire d'électronique quantique" consists in a theoretical study of the reflection and diffraction phenomena via an atomic mirror. This poster presents the principle of an atomic mirror. Many groups in the world have constructed this type of atom optics experiments such as in Paris-Orsay-Villetaneuse (France), Stanford-Gaithersburg (USA), Munich-Heidelberg (Germany), etc. A laser beam goes into a prism with an incidence bigger than the critical incidence. It undergoes a total reflection on the plane face of the prism and then exits. The transmitted resulting wave out of the prism is evanescent and repulsive as the frequency detuning of the laser beam compared to the atomic transition δ = ωL-ω0 is positive. The cold atomic sample interacts with this evanescent wave and undergoes one or more elastic bounces by passing into backward points in its trajectory because the atoms' kinetic energy (of the order of the μeV) is less than the maximum of the dipolar potential barrier ℏΩ2/Δ where Ω is the Rabi frequency [1]. In fact, the atoms are cooled and captured in a magneto-optical trap placed at a distance of the order of the cm above the prism surface. The dipolar potential with which interact the slow atoms is obtained for a two level atom in a case of a dipolar electric transition (D2 Rubidium transition at a wavelength of 780nm delivered by a Titane-Saphir laser between a fundamental state Jf = l/2 and an excited state Je = 3/2). This potential is corrected by an attractive Van der Waals term which varies as 1/z3 in the Lennard-Jones approximation (typical atomic distance of the order of λ0/2π where λ0 is the laser wavelength) and in 1/z4 if the distance between the atom and its image in the dielectric is big in front of λ0/2π. This last case is obtained in a quantum electrodynamic calculation by taking into account an orthornormal base [2]. We'll examine the role of spontaneous emission for which the rate is inversely

  13. Electron - Atom Bremsstrahlung

    NASA Astrophysics Data System (ADS)

    Kim, Longhuan

    In this work we study the features of bremsstrahlung radiation from neutral atoms and atoms in hot dense plasmas. Predictions for the distributions of electron-atom bremsstrahlung radiation for both the point Coulomb potential and screened potentials are obtained using a classical numerical method. The results agree with exact quantum mechanical partial wave results for low incident electron energies in both the point Coulomb and screened potentials. In the screened potential the asymmetry parameter of a spectrum is reduced from the Coulomb values. The difference increases with decreasing energy and begins to oscillate at very low energies. We also studied the scaling properties of bremsstrahlung spectra and energy losses. It is found that the ratio of the radiative energy loss for positrons to that for electrons obeys a simple scaling law, being expressible fairly accurately as a function only of the quantity T(,1)/Z('2). This scaling is exact in the case of the point Coulomb potential, both for classical bremsstrahlung and for the nonrelativistic dipole Sommerfeld formula. We also studied bremsstrahlung from atoms in hot dense plasmas, describing the atomic potentials by the temperature-and-density dependent Thomas - Fermi model. Gaunt factors are obtained with the relativistic partial wave method for atoms in plasmas of various densities and temperatures. Features of the bremsstrahlung from atoms in such environments are discussed. The dependence of predicted bremsstrahlung spectra on the choice of potential from various average atom potential models for strongly coupled plasmas are also studied. For the energy range and plasma densities were considered, the choice of potential model among the elaborate atomic potentials is less important than the choice of the method of calculation. The use of a detailed configuration accounting method for bremsstrahlung processes in dense plasmas is less important than for some other atomic processes. We justify the usefulness

  14. Spatial Data Supply Chains

    NASA Astrophysics Data System (ADS)

    Varadharajulu, P.; Azeem Saqiq, M.; Yu, F.; McMeekin, D. A.; West, G.; Arnold, L.; Moncrieff, S.

    2015-06-01

    This paper describes current research into the supply of spatial data to the end user in as close to real time as possible via the World Wide Web. The Spatial Data Infrastructure paradigm has been discussed since the early 1990s. The concept has evolved significantly since then but has almost always examined data from the perspective of the supplier. It has been a supplier driven focus rather than a user driven focus. The current research being conducted is making a paradigm shift and looking at the supply of spatial data as a supply chain, similar to a manufacturing supply chain in which users play a significant part. A comprehensive consultation process took place within Australia and New Zealand incorporating a large number of stakeholders. Three research projects that have arisen from this consultation process are examining Spatial Data Supply Chains within Australia and New Zealand and are discussed within this paper.

  15. Supply-Chain Optimization Template

    NASA Technical Reports Server (NTRS)

    Quiett, William F.; Sealing, Scott L.

    2009-01-01

    The Supply-Chain Optimization Template (SCOT) is an instructional guide for identifying, evaluating, and optimizing (including re-engineering) aerospace- oriented supply chains. The SCOT was derived from the Supply Chain Council s Supply-Chain Operations Reference (SCC SCOR) Model, which is more generic and more oriented toward achieving a competitive advantage in business.

  16. Enumeration of Ring–Chain Tautomers Based on SMIRKS Rules

    PubMed Central

    2015-01-01

    A compound exhibits (prototropic) tautomerism if it can be represented by two or more structures that are related by a formal intramolecular movement of a hydrogen atom from one heavy atom position to another. When the movement of the proton is accompanied by the opening or closing of a ring it is called ring–chain tautomerism. This type of tautomerism is well observed in carbohydrates, but it also occurs in other molecules such as warfarin. In this work, we present an approach that allows for the generation of all ring–chain tautomers of a given chemical structure. Based on Baldwin’s Rules estimating the likelihood of ring closure reactions to occur, we have defined a set of transform rules covering the majority of ring–chain tautomerism cases. The rules automatically detect substructures in a given compound that can undergo a ring–chain tautomeric transformation. Each transformation is encoded in SMIRKS line notation. All work was implemented in the chemoinformatics toolkit CACTVS. We report on the application of our ring–chain tautomerism rules to a large database of commercially available screening samples in order to identify ring–chain tautomers. PMID:25158156

  17. Solitons in Granular Chains

    SciTech Connect

    Manciu, M.; Sen, S.; Hurd, A.J.

    1999-04-12

    The authors consider a chain of elastic (Hertzian) grains that repel upon contact according to the potential V = a{delta}{sup u}, u > 2, where {delta} is the overlap between the grains. They present numerical and analytical results to show that an impulse initiated at an end of a chain of Hertzian grains in contact eventually propagates as a soliton for all n > 2 and that no solitons are possible for n {le} 2. Unlike continuous, they find that colliding solitons in discrete media initiative multiple weak solitons at the point of crossing.

  18. Atomic Power Safety.

    ERIC Educational Resources Information Center

    Hogerton, John F.

    This publication is one of a series of information booklets for the general public published by The United States Atomic Energy Commission. Among the topics discussed are: What is Atomic Power?; What Does Safety Depend On?; Control of Radioactive Material During Operation; Accident Prevention; Containment in the Event of an Accident; Licensing and…

  19. When Atoms Want

    ERIC Educational Resources Information Center

    Talanquer, Vicente

    2013-01-01

    Chemistry students and teachers often explain the chemical reactivity of atoms, molecules, and chemical substances in terms of purposes or needs (e.g., atoms want or need to gain, lose, or share electrons in order to become more stable). These teleological explanations seem to have pedagogical value as they help students understand and use…

  20. Neutrino-atom collisions

    NASA Astrophysics Data System (ADS)

    Kouzakov, Konstantin A.; Studenikin, Alexander I.

    2016-05-01

    Neutrino-atom scattering provides a sensitive tool for probing nonstandard interactions of massive neutrinos in laboratory measurements. The ionization channel of this collision process plays an important role in experiments searching for neutrino magnetic moments. We discuss some theoretical aspects of atomic ionization by massive neutrinos. We also outline possible manifestations of neutrino electromagnetic properties in coherent elastic neutrino-nucleus scattering.

  1. Atom Interferometer Modeling Tool

    DTIC Science & Technology

    2011-08-08

    a specific value at each timestep . LiveAtom will reflect the specified current sources in the visualization through a plot that is brighter at 6...Carlo (DSMC) modeling feature, users can simulate the behavior of cold, thermal atoms in a dynamic magnetic potential. This could be used, for example

  2. Greek Atomic Theory.

    ERIC Educational Resources Information Center

    Roller, Duane H. D.

    1981-01-01

    Focusing on history of physics, which began about 600 B.C. with the Ionian Greeks and reaching full development within three centuries, suggests that the creation of the concept of the atom is understandable within the context of Greek physical theory; so is the rejection of the atomic theory by the Greek physicists. (Author/SK)

  3. Atomic Scale Plasmonic Switch.

    PubMed

    Emboras, Alexandros; Niegemann, Jens; Ma, Ping; Haffner, Christian; Pedersen, Andreas; Luisier, Mathieu; Hafner, Christian; Schimmel, Thomas; Leuthold, Juerg

    2016-01-13

    The atom sets an ultimate scaling limit to Moore's law in the electronics industry. While electronics research already explores atomic scales devices, photonics research still deals with devices at the micrometer scale. Here we demonstrate that photonic scaling, similar to electronics, is only limited by the atom. More precisely, we introduce an electrically controlled plasmonic switch operating at the atomic scale. The switch allows for fast and reproducible switching by means of the relocation of an individual or, at most, a few atoms in a plasmonic cavity. Depending on the location of the atom either of two distinct plasmonic cavity resonance states are supported. Experimental results show reversible digital optical switching with an extinction ratio of 9.2 dB and operation at room temperature up to MHz with femtojoule (fJ) power consumption for a single switch operation. This demonstration of an integrated quantum device allowing to control photons at the atomic level opens intriguing perspectives for a fully integrated and highly scalable chip platform, a platform where optics, electronics, and memory may be controlled at the single-atom level.

  4. Modified Embedded Atom Method

    SciTech Connect

    Rudd, R. E.

    2012-08-01

    Interatomic force and energy calculation subroutine to be used with the molecular dynamics simulation code LAMMPS (Ref a.). The code evaluated the total energy and atomic forces (energy gradient) according to a cubic spline-based variant (Ref b.) of the Modified Embedded Atom Method (MEAM) with a additional Stillinger-Weber (SW) contribution.

  5. Atom Recombination on Surface

    NASA Astrophysics Data System (ADS)

    Kim, Young Chai

    Upon high speed re-entry of the Space Shuttle Orbiter (SSO) through the earth's atmosphere, oxygen and nitrogen atoms produced in the shock wave in front of the SSO recombine on the surface of the SSO, releasing heat. To minimize the rise of surface temperature due to the reaction, surface material of the SSO should have a low recombination probability, gamma, of atoms impinging on it. To design such material, it is necessary to understand the mechanism of atom recombination. With this in mind, gamma values were measured for recombination of O, N, and H atoms in a diffusion tube reactor between 700 and 1250 K (HT), 300 and 700 K (MT), and at 194 K (LT) on silica. The rate of recombination was first order with respect to the atom concentration from LT to HT. The Arrhenius plots, gamma vs. 1/T, were very complex. All observations are explained by assuming a surface with a small fraction of active sites that irreversibly bind chemisorbed atoms. Everything happens as if the active sites were surrounded by collection zones within which all atoms striking the surface are adsorbed reversibly with an assumed sticking probability of unity. These atoms then diffuse on the surface. Some of them reach the active sites where they can recombine with the chemisorbed atoms. At LT, all atoms striking the surface reach the active sites. As a result of desorption at MT, the collection zones shrink with increasing temperature. At HT, only atoms striking active sites directly from the gas phase lead to recombination. An analytical solution of the diffusion-reaction problem obtained for a model where the active sites are distributed uniformly fits with the experimental data from LT to HT. The two novel features of this work are the identification of the active sites on silica for recombination of H on silica at HT as surface OH groups and the suggestion that another kind of active site is responsible for recombination of O and N atoms at HT as well as for H atoms at LT and MT. Although

  6. Coaxial airblast atomizers

    NASA Technical Reports Server (NTRS)

    Hardalupas, Y.; Whitelaw, J. H.

    1993-01-01

    An experimental investigation was performed to quantify the characteristics of the sprays of coaxial injectors with particular emphasis on those aspects relevant to the performance of rocket engines. Measurements for coaxial air blast atomizers were obtained using air to represent the gaseous stream and water to represent the liquid stream. A wide range of flow conditions were examined for sprays with and without swirl for gaseous streams. The parameters varied include Weber number, gas flow rate, liquid flow rate, swirl, and nozzle geometry. Measurements were made with a phase Doppler velocimeter. Major conclusions of the study focused upon droplet size as a function of Weber number, effect of gas flow rate on atomization and spray spread, effect of nozzle geometry on atomization and spread, effect of swirl on atomization, spread, jet recirculation and breakup, and secondary atomization.

  7. Atomic Oxygen Textured Polymers

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Rutledge, Sharon K.; Hunt, Jason D.; Drobotij, Erin; Cales, Michael R.; Cantrell, Gidget

    1995-01-01

    Atomic oxygen can be used to microscopically alter the surface morphology of polymeric materials in space or in ground laboratory facilities. For polymeric materials whose sole oxidation products are volatile species, directed atomic oxygen reactions produce surfaces of microscopic cones. However, isotropic atomic oxygen exposure results in polymer surfaces covered with lower aspect ratio sharp-edged craters. Isotropic atomic oxygen plasma exposure of polymers typically causes a significant decrease in water contact angle as well as altered coefficient of static friction. Such surface alterations may be of benefit for industrial and biomedical applications. The results of atomic oxygen plasma exposure of thirty-three (33) different polymers are presented, including typical morphology changes, effects on water contact angle, and coefficient of static friction.

  8. Heavy Chain Diseases

    MedlinePlus

    ... cells often prevents proper absorption of nutrients from food (malabsorption), resulting in severe diarrhea and weight loss. A rare form that affects the respiratory tract also exists. Blood tests are done when alpha heavy chain disease is suspected. Serum protein electrophoresis, measurement of ...

  9. Breaking the Chains

    ERIC Educational Resources Information Center

    Stanistreet, Paul

    2007-01-01

    In 1792 more than 350,000 people in Britain signed a petition calling for an end to the slave trade. It was, writes historian Adam Hochschild in his book "Bury the Chains," "the first time in history that a large number of people became outraged, and stayed outraged for many years, over someone else's rights". In 1807--after 15…

  10. Nodal-chain metals

    NASA Astrophysics Data System (ADS)

    Bzdušek, Tomáš; Wu, Quansheng; Rüegg, Andreas; Sigrist, Manfred; Soluyanov, Alexey A.

    2016-10-01

    The band theory of solids is arguably the most successful theory of condensed-matter physics, providing a description of the electronic energy levels in various materials. Electronic wavefunctions obtained from the band theory enable a topological characterization of metals for which the electronic spectrum may host robust, topologically protected, fermionic quasiparticles. Many of these quasiparticles are analogues of the elementary particles of the Standard Model, but others do not have a counterpart in relativistic high-energy theories. A complete list of possible quasiparticles in solids is lacking, even in the non-interacting case. Here we describe the possible existence of a hitherto unrecognized type of fermionic excitation in metals. This excitation forms a nodal chain—a chain of connected loops in momentum space—along which conduction and valence bands touch. We prove that the nodal chain is topologically distinct from previously reported excitations. We discuss the symmetry requirements for the appearance of this excitation and predict that it is realized in an existing material, iridium tetrafluoride (IrF4), as well as in other compounds of this class of materials. Using IrF4 as an example, we provide a discussion of the topological surface states associated with the nodal chain. We argue that the presence of the nodal-chain fermions will result in anomalous magnetotransport properties, distinct from those of materials exhibiting previously known excitations.

  11. Pursuing supply chain gains.

    PubMed

    Long, Gene

    2005-09-01

    Five hallmarks of an effective supply chain are: A strong relationship is developed with a single GPO. Physicians are involved in supply standardization. Supply contracts are routinely reviewed at time of renewal. Freight costs are understood and negotiated effectively. Products are distributed through an in-house distribution center.

  12. Atwood's Heavy Chain

    ERIC Educational Resources Information Center

    Beeken, Paul

    2011-01-01

    While perusing various websites in search of a more challenging lab for my students, I came across a number of ideas where replacing the string in an Atwood's machine with a simple ball chain like the kind found in lamp pulls created an interesting system to investigate. The replacement of the string produced a nice nonuniform acceleration, but…

  13. Exploration Supply Chain Simulation

    NASA Technical Reports Server (NTRS)

    2008-01-01

    The Exploration Supply Chain Simulation project was chartered by the NASA Exploration Systems Mission Directorate to develop a software tool, with proper data, to quantitatively analyze supply chains for future program planning. This tool is a discrete-event simulation that uses the basic supply chain concepts of planning, sourcing, making, delivering, and returning. This supply chain perspective is combined with other discrete or continuous simulation factors. Discrete resource events (such as launch or delivery reviews) are represented as organizational functional units. Continuous resources (such as civil service or contractor program functions) are defined as enabling functional units. Concepts of fixed and variable costs are included in the model to allow the discrete events to interact with cost calculations. The definition file is intrinsic to the model, but a blank start can be initiated at any time. The current definition file is an Orion Ares I crew launch vehicle. Parameters stretch from Kennedy Space Center across and into other program entities (Michaud Assembly Facility, Aliant Techsystems, Stennis Space Center, Johnson Space Center, etc.) though these will only gain detail as the file continues to evolve. The Orion Ares I file definition in the tool continues to evolve, and analysis from this tool is expected in 2008. This is the first application of such business-driven modeling to a NASA/government-- aerospace contractor endeavor.

  14. Supply chain management.

    PubMed

    Palevich, R F

    1999-02-01

    This article describes how Do It Best Corp. has used technology to improve its supply chain management. Among other topics it discusses the company's use of electronic data interchange, the Internet, electronic forecasting, and warehouse management systems to gain substantial savings and increase its competitiveness.

  15. Polymerase chain reaction system

    DOEpatents

    Benett, William J.; Richards, James B.; Stratton, Paul L.; Hadley, Dean R.; Milanovich, Fred P.; Belgrader, Phil; Meyer, Peter L.

    2004-03-02

    A portable polymerase chain reaction DNA amplification and detection system includes one or more chamber modules. Each module supports a duplex assay of a biological sample. Each module has two parallel interrogation ports with a linear optical system. The system is capable of being handheld.

  16. Supply chain quality.

    PubMed

    Feary, Simon

    2009-01-01

    As the development of complex manufacturing models and virtual companies become more prevalent in today's growing global markets, it is increasingly important to support the relationships between manufacturer and supplier. Utilising these relationships will ensure that supply chains operate more effectively and reduce costs, risks and time-to-market time frames, whilst maintaining product quality.

  17. Chain Saw Repair.

    ERIC Educational Resources Information Center

    Taylor, Mark; Helbling, Wayne

    This curriculum is designed to supplement the Comprehensive Small Engine Repair guide by covering in detail all aspects of chain saw repair. The publication contains materials for both teacher and student and is written in terms of student performance using measurable objectives. The course includes six units. Each unit contains some or all of the…

  18. 78 FR 58571 - Maine Yankee Atomic Power Company, Connecticut Yankee Atomic Power Company, and The Yankee Atomic...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-09-24

    ... Atomic Power Company, Connecticut Yankee Atomic Power Company, and The Yankee Atomic Electric Company... Power Company (Maine Yankee), Connecticut Yankee Atomic Power Company (Connecticut Yankee), and the Yankee Atomic Electric Company (Yankee Atomic) (together, ``licensees'' or ``the Yankee Companies'')...

  19. Imaging and dynamics of light atoms and molecules on graphene

    NASA Astrophysics Data System (ADS)

    Meyer, Jannik C.; Girit, C. O.; Crommie, M. F.; Zettl, A.

    2008-07-01

    Observing the individual building blocks of matter is one of the primary goals of microscopy. The invention of the scanning tunnelling microscope revolutionized experimental surface science in that atomic-scale features on a solid-state surface could finally be readily imaged. However, scanning tunnelling microscopy has limited applicability due to restrictions in, for example, sample conductivity, cleanliness, and data acquisition rate. An older microscopy technique, that of transmission electron microscopy (TEM), has benefited tremendously in recent years from subtle instrumentation advances, and individual heavy (high-atomic-number) atoms can now be detected by TEM even when embedded within a semiconductor material. But detecting an individual low-atomic-number atom, for example carbon or even hydrogen, is still extremely challenging, if not impossible, via conventional TEM owing to the very low contrast of light elements. Here we demonstrate a means to observe, by conventional TEM, even the smallest atoms and molecules: on a clean single-layer graphene membrane, adsorbates such as atomic hydrogen and carbon can be seen as if they were suspended in free space. We directly image such individual adatoms, along with carbon chains and vacancies, and investigate their dynamics in real time. These techniques open a way to reveal dynamics of more complex chemical reactions or identify the atomic-scale structure of unknown adsorbates. In addition, the study of atomic-scale defects in graphene may provide insights for nanoelectronic applications of this interesting material.

  20. Imaging and dynamics of light atoms and molecules on graphene.

    PubMed

    Meyer, Jannik C; Girit, C O; Crommie, M F; Zettl, A

    2008-07-17

    Observing the individual building blocks of matter is one of the primary goals of microscopy. The invention of the scanning tunnelling microscope revolutionized experimental surface science in that atomic-scale features on a solid-state surface could finally be readily imaged. However, scanning tunnelling microscopy has limited applicability due to restrictions in, for example, sample conductivity, cleanliness, and data acquisition rate. An older microscopy technique, that of transmission electron microscopy (TEM), has benefited tremendously in recent years from subtle instrumentation advances, and individual heavy (high-atomic-number) atoms can now be detected by TEM even when embedded within a semiconductor material. But detecting an individual low-atomic-number atom, for example carbon or even hydrogen, is still extremely challenging, if not impossible, via conventional TEM owing to the very low contrast of light elements. Here we demonstrate a means to observe, by conventional TEM, even the smallest atoms and molecules: on a clean single-layer graphene membrane, adsorbates such as atomic hydrogen and carbon can be seen as if they were suspended in free space. We directly image such individual adatoms, along with carbon chains and vacancies, and investigate their dynamics in real time. These techniques open a way to reveal dynamics of more complex chemical reactions or identify the atomic-scale structure of unknown adsorbates. In addition, the study of atomic-scale defects in graphene may provide insights for nanoelectronic applications of this interesting material.

  1. Confined linear carbon chains as a route to bulk carbyne

    NASA Astrophysics Data System (ADS)

    Shi, Lei; Rohringer, Philip; Suenaga, Kazu; Niimi, Yoshiko; Kotakoski, Jani; Meyer, Jannik C.; Peterlik, Herwig; Wanko, Marius; Cahangirov, Seymur; Rubio, Angel; Lapin, Zachary J.; Novotny, Lukas; Ayala, Paola; Pichler, Thomas

    2016-06-01

    Strong chemical activity and extreme instability in ambient conditions characterize carbyne, an infinite sp1 hybridized carbon chain. As a result, much less has been explored about carbyne as compared to other carbon allotropes such as fullerenes, nanotubes and graphene. Although end-capping groups can be used to stabilize carbon chains, length limitations are still a barrier for production, and even more so for application. We report a method for the bulk production of long acetylenic linear carbon chains protected by thin double-walled carbon nanotubes. The synthesis of very long arrangements is confirmed by a combination of transmission electron microscopy, X-ray diffraction and (near-field) resonance Raman spectroscopy. Our results establish a route for the bulk production of exceptionally long and stable chains composed of more than 6,000 carbon atoms, representing an elegant forerunner towards the final goal of carbyne’s bulk production.

  2. Epitaxy: Programmable Atom Equivalents Versus Atoms.

    PubMed

    Wang, Mary X; Seo, Soyoung E; Gabrys, Paul A; Fleischman, Dagny; Lee, Byeongdu; Kim, Youngeun; Atwater, Harry A; Macfarlane, Robert J; Mirkin, Chad A

    2017-01-24

    The programmability of DNA makes it an attractive structure-directing ligand for the assembly of nanoparticle (NP) superlattices in a manner that mimics many aspects of atomic crystallization. However, the synthesis of multilayer single crystals of defined size remains a challenge. Though previous studies considered lattice mismatch as the major limiting factor for multilayer assembly, thin film growth depends on many interlinked variables. Here, a more comprehensive approach is taken to study fundamental elements, such as the growth temperature and the thermodynamics of interfacial energetics, to achieve epitaxial growth of NP thin films. Both surface morphology and internal thin film structure are examined to provide an understanding of particle attachment and reorganization during growth. Under equilibrium conditions, single crystalline, multilayer thin films can be synthesized over 500 × 500 μm(2) areas on lithographically patterned templates, whereas deposition under kinetic conditions leads to the rapid growth of glassy films. Importantly, these superlattices follow the same patterns of crystal growth demonstrated in atomic thin film deposition, allowing these processes to be understood in the context of well-studied atomic epitaxy and enabling a nanoscale model to study fundamental crystallization processes. Through understanding the role of epitaxy as a driving force for NP assembly, we are able to realize 3D architectures of arbitrary domain geometry and size.

  3. Atom trap trace analysis

    SciTech Connect

    Lu, Z.-T.; Bailey, K.; Chen, C.-Y.; Du, X.; Li, Y.-M.; O'Connor, T. P.; Young, L.

    2000-05-25

    A new method of ultrasensitive trace-isotope analysis has been developed based upon the technique of laser manipulation of neutral atoms. It has been used to count individual {sup 85}Kr and {sup 81}Kr atoms present in a natural krypton sample with isotopic abundances in the range of 10{sup {minus}11} and 10{sup {minus}13}, respectively. The atom counts are free of contamination from other isotopes, elements,or molecules. The method is applicable to other trace-isotopes that can be efficiently captured with a magneto-optical trap, and has a broad range of potential applications.

  4. Atomic and molecular supernovae

    NASA Technical Reports Server (NTRS)

    Liu, Weihong

    1997-01-01

    Atomic and molecular physics of supernovae is discussed with an emphasis on the importance of detailed treatments of the critical atomic and molecular processes with the best available atomic and molecular data. The observations of molecules in SN 1987A are interpreted through a combination of spectral and chemical modelings, leading to strong constraints on the mixing and nucleosynthesis of the supernova. The non-equilibrium chemistry is used to argue that carbon dust can form in the oxygen-rich clumps where the efficient molecular cooling makes the nucleation of dust grains possible. For Type Ia supernovae, the analyses of their nebular spectra lead to strong constraints on the supernova explosion models.

  5. Proteoglycans and their heterogeneous glycosaminoglycans at the atomic scale

    PubMed Central

    Sattelle, Benedict M.; Shakeri, Javad; Cliff, Matthew J.; Almond, Andrew

    2015-01-01

    Proteoglycan spatiotemporal organization underpins extracellular matrix biology but atomic scale glimpses of this microarchitecture are obscured by glycosaminoglycan size and complexity. To overcome this, multi-microsecond aqueous simulations of chondroitin and dermatan sulfates were abstracted into a prior coarse-grained model, which was extended to heterogeneous glycosaminoglycans and small leucine-rich proteoglycans. Exploration of relationships between sequence and shape led to hypotheses that proteoglycan size is dependent on glycosaminoglycan unit composition but independent of sequence permutation. Uronic acid conformational equilibria were modulated by adjacent hexosamine sulfonation and iduronic acid increased glycosaminoglycan chain volume and rigidity, while glucuronic acid imparted chain plasticity. Consequently, block copolymeric glycosaminoglycans contained microarchitectures capable of multivalent binding to growth factors and collagen, with potential for interactional synergy at greater chain number. The described atomic scale views of proteoglycans and heterogeneous glycosaminoglycans provide structural routes to understanding their fundamental signaling and mechanical biological roles and development of new biomaterials. PMID:25645947

  6. The Atomic Dating Game.

    ERIC Educational Resources Information Center

    Cummo, Evelyn; Matthews, Catherine E.

    2002-01-01

    Presents an activity designed to provide students with opportunities to practice drawing atomic models and discover the logical pairings of whole families on the periodic table. Follows the format of a television game show. (DDR)

  7. Atomic Bomb Health Benefits

    PubMed Central

    Luckey, T. D.

    2008-01-01

    Media reports of deaths and devastation produced by atomic bombs convinced people around the world that all ionizing radiation is harmful. This concentrated attention on fear of miniscule doses of radiation. Soon the linear no threshold (LNT) paradigm was converted into laws. Scientifically valid information about the health benefits from low dose irradiation was ignored. Here are studies which show increased health in Japanese survivors of atomic bombs. Parameters include decreased mutation, leukemia and solid tissue cancer mortality rates, and increased average lifespan. Each study exhibits a threshold that repudiates the LNT dogma. The average threshold for acute exposures to atomic bombs is about 100 cSv. Conclusions from these studies of atomic bomb survivors are: One burst of low dose irradiation elicits a lifetime of improved health.Improved health from low dose irradiation negates the LNT paradigm.Effective triage should include radiation hormesis for survivor treatment. PMID:19088902

  8. Atomic bomb health benefits.

    PubMed

    Luckey, T D

    2008-01-01

    Media reports of deaths and devastation produced by atomic bombs convinced people around the world that all ionizing radiation is harmful. This concentrated attention on fear of miniscule doses of radiation. Soon the linear no threshold (LNT) paradigm was converted into laws. Scientifically valid information about the health benefits from low dose irradiation was ignored. Here are studies which show increased health in Japanese survivors of atomic bombs. Parameters include decreased mutation, leukemia and solid tissue cancer mortality rates, and increased average lifespan. Each study exhibits a threshold that repudiates the LNT dogma. The average threshold for acute exposures to atomic bombs is about 100 cSv. Conclusions from these studies of atomic bomb survivors are: One burst of low dose irradiation elicits a lifetime of improved health.Improved health from low dose irradiation negates the LNT paradigm.Effective triage should include radiation hormesis for survivor treatment.

  9. Atomic hydrogen rocket engine

    NASA Technical Reports Server (NTRS)

    Etters, R. D.; Flurchick, K.

    1981-01-01

    A rocket using atomic hydrogen propellant is discussed. An essential feature of the proposed engine is that the atomic hydrogen fuel is used as it is produced, thus eliminating the necessity of storage. The atomic hydrogen flows into a combustion chamber and recombines, producing high velocity molecular hydrogen which flows out an exhaust port. Standard thermodynamics, kinetic theory and wall recombination cross-sections are used to predict a thrust of approximately 1.4 N for a RF hydrogen flow rate of 4 x 10 to the 22nd/sec. Specific impulses are nominally from 1000 to 2000 sec. It is predicted that thrusts on the order of one Newton and specific impulses of up to 2200 sec are attainable with nominal RF discharge fluxes on the order of 10 to the 22nd atoms/sec; further refinements will probably not alter these predictions by more than a factor of two.

  10. Atomic & Molecular Interactions

    SciTech Connect

    2002-07-12

    The Gordon Research Conference (GRC) on Atomic & Molecular Interactions was held at Roger Williams University, Bristol, RI. Emphasis was placed on current unpublished research and discussion of the future target areas in this field.

  11. Improved Atomizer Resists Clogging

    NASA Technical Reports Server (NTRS)

    Dea, J. Y.

    1983-01-01

    Improved constant-output atomizer has conical orifice that permits air to sweep out all liquid thoroughly and prevent any buildup of liquid or dissolved solids. Capillary groove guides liquid to gas jet. Simple new design eliminates clogging.

  12. The Casimir atomic pendulum

    NASA Astrophysics Data System (ADS)

    Razmi, H.; Abdollahi, M.

    2008-11-01

    We want to introduce an atomic pendulum whose driving force (torque) is due to the quantum vacuum fluctuations. Applying the well-known Casimir-Polder effect to a special configuration (a combined structure of an atomic nanostring and a conducting plate), an atomic pendulum (Casimir atomic pendulum) is designed. Using practically acceptable data corresponding to the already known world of nanotechnology and based on reasonable/reliable numerical estimates, the period of oscillation for the pendulum is computed. This pendulum can be considered as both a new micro(nano)-electromechanical system and a new simple vacuum machine. Its design may be considered as a first step towards realizing the visualized vacuum (Casimir) clock!

  13. Anti-atoms: Gotcha!

    NASA Astrophysics Data System (ADS)

    Surko, Clifford M.

    2011-07-01

    Refined techniques to mix cold antiprotons and positrons in a magnetic bottle show that antihydrogen atoms can be trapped for 15 minutes -- an improvement of four orders of magnitude over previous experiments.

  14. Atom chip gravimeter

    NASA Astrophysics Data System (ADS)

    Schubert, Christian; Abend, Sven; Gebbe, Martina; Gersemann, Matthias; Ahlers, Holger; Müntinga, Hauke; Matthias, Jonas; Sahelgozin, Maral; Herr, Waldemar; Lämmerzahl, Claus; Ertmer, Wolfgang; Rasel, Ernst

    2016-04-01

    Atom interferometry has developed into a tool for measuring rotations [1], accelerations [2], and testing fundamental physics [3]. Gravimeters based on laser cooled atoms demonstrated residual uncertainties of few microgal [2,4] and were simplified for field applications [5]. Atomic gravimeters rely on the interference of matter waves which are coherently manipulated by laser light fields. The latter can be interpreted as rulers to which the position of the atoms is compared. At three points in time separated by a free evolution, the light fields are pulsed onto the atoms. First, a coherent superposition of two momentum states is produced, then the momentum is inverted, and finally the two trajectories are recombined. Depending on the acceleration the atoms experienced, the number of atoms detected in the output ports will change. Consequently, the acceleration can be determined from the output signal. The laser cooled atoms with microkelvin temperatures used in state-of-the-art gravimeters impose limits on the accuracy [4]. Therefore, ultra-cold atoms generated by Bose-Einstein condensation and delta-kick collimation [6,7] are expected to be the key for further improvements. These sources suffered from a low flux implying an incompatible noise floor, but a competitive performance was demonstrated recently with atom chips [8]. In the compact and robust setup constructed for operation in the drop tower [6] we demonstrated all steps necessary for an atom chip gravimeter with Bose-Einstein condensates in a ground based operation. We will discuss the principle of operation, the current performance, and the perspectives to supersede the state of the art. The authors thank the QUANTUS cooperation for contributions to the drop tower project in the earlier stages. This work is supported by the German Space Agency (DLR) with funds provided by the Federal Ministry for Economic Affairs and Energy (BMWi) due to an enactment of the German Bundestag under grant numbers DLR 50WM

  15. Perioperative supply chain management.

    PubMed

    Feistritzer, N R; Keck, B R

    2000-09-01

    Faced with declining revenues and increasing operating expenses, hospitals are evaluating numerous mechanisms designed to reduce costs while simultaneously maintaining quality care. Many facilities have targeted initial cost reduction efforts in the reduction of labor expenses. Once labor expenses have been "right sized," facilities have continued to focus on service delivery improvements by the optimization of the "supply chain" process. This report presents a case study of the efforts of Vanderbilt University Medical Center in the redesign of its supply chain management process in the department of Perioperative Services. Utilizing a multidisciplinary project management structure, 3 work teams were established to complete the redesign process. To date, the project has reduced costs by $2.3 million and enhanced quality patient care by enhancing the delivery of appropriate clinical supplies during the perioperative experience.

  16. Sharing the atom bomb

    SciTech Connect

    Chace, J.

    1996-01-01

    Shaken by the devastation of Hiroshima and Nagasaki and fearful that the American atomic monopoly would spark an arms race, Dean Acheson led a push in 1946 to place the bomb-indeed, all atomic energy-under international control. But as the memories of wartime collaboration faded, relations between the superpowers grew increasingly tense, and the confrontational atmosphere undid his proposal. Had Acheson succeeded, the Cold War might not have been. 2 figs.

  17. Atomizing nozzle and method

    DOEpatents

    Ting, Jason; Anderson, Iver E.; Terpstra, Robert L.

    2000-03-16

    A high pressure close-coupled gas atomizing nozzle includes multiple discrete gas jet discharge orifices having aerodynamically designed convergent-divergent geometry with an first converging section communicated to a gas supply manifold and to a diverging section by a constricted throat section to increase atomizing gas velocity. The gas jet orifices are oriented at gas jet apex angle selected relative to the melt supply tip apex angle to establish a melt aspiration condition at the melt supply tip.

  18. Optical atomic magnetometer

    DOEpatents

    Budker, Dmitry; Higbie, James; Corsini, Eric P

    2013-11-19

    An optical atomic magnetometers is provided operating on the principles of nonlinear magneto-optical rotation. An atomic vapor is optically pumped using linearly polarized modulated light. The vapor is then probed using a non-modulated linearly polarized light beam. The resulting modulation in polarization angle of the probe light is detected and used in a feedback loop to induce self-oscillation at the resonant frequency.

  19. Metal atomization spray nozzle

    DOEpatents

    Huxford, T.J.

    1993-11-16

    A spray nozzle for a magnetohydrodynamic atomization apparatus has a feed passage for molten metal and a pair of spray electrodes mounted in the feed passage. The electrodes, diverging surfaces which define a nozzle throat and diverge at an acute angle from the throat. Current passes through molten metal when fed through the throat which creates the Lorentz force necessary to provide atomization of the molten metal. 6 figures.

  20. Metal atomization spray nozzle

    DOEpatents

    Huxford, Theodore J.

    1993-01-01

    A spray nozzle for a magnetohydrodynamic atomization apparatus has a feed passage for molten metal and a pair of spray electrodes mounted in the feed passage. The electrodes, diverging surfaces which define a nozzle throat and diverge at an acute angle from the throat. Current passes through molten metal when fed through the throat which creates the Lorentz force necessary to provide atomization of the molten metal.

  1. Hirshfeld atom refinement.

    PubMed

    Capelli, Silvia C; Bürgi, Hans-Beat; Dittrich, Birger; Grabowsky, Simon; Jayatilaka, Dylan

    2014-09-01

    Hirshfeld atom refinement (HAR) is a method which determines structural parameters from single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made ab initio quantum mechanical molecular electron densities without any further approximation. Here the original HAR method is extended by implementing an iterative procedure of successive cycles of electron density calculations, Hirshfeld atom scattering factor calculations and structural least-squares refinements, repeated until convergence. The importance of this iterative procedure is illustrated via the example of crystalline ammonia. The new HAR method is then applied to X-ray diffraction data of the dipeptide Gly-l-Ala measured at 12, 50, 100, 150, 220 and 295 K, using Hartree-Fock and BLYP density functional theory electron densities and three different basis sets. All positions and anisotropic displacement parameters (ADPs) are freely refined without constraints or restraints - even those for hydrogen atoms. The results are systematically compared with those from neutron diffraction experiments at the temperatures 12, 50, 150 and 295 K. Although non-hydrogen-atom ADPs differ by up to three combined standard uncertainties (csu's), all other structural parameters agree within less than 2 csu's. Using our best calculations (BLYP/cc-pVTZ, recommended for organic molecules), the accuracy of determining bond lengths involving hydrogen atoms from HAR is better than 0.009 Å for temperatures of 150 K or below; for hydrogen-atom ADPs it is better than 0.006 Å(2) as judged from the mean absolute X-ray minus neutron differences. These results are among the best ever obtained. Remarkably, the precision of determining bond lengths and ADPs for the hydrogen atoms from the HAR procedure is comparable with that from the neutron measurements - an outcome which is obtained with a routinely achievable resolution of the X-ray data of 0.65 Å.

  2. Anonymous Atomic Transactions,

    DTIC Science & Technology

    1996-07-01

    We show here an example of a protocol that satisfies anonymity properties while providing strong ACID (atomic, consistent, isolated, durable...transactional properties, resolving an open question. Blinded signatures are used to certify an anonymous asymmetric key which authorizes the use of a...key is spent. We show here an example of a protocol that satisfies anonymity properties while providing strong ACID (atomic, consistent, isolated

  3. Fundamental Mechanism of Atomization

    DTIC Science & Technology

    1989-07-01

    2Sk, The relation between the spatial amplification rate and (21) the wavelength is shown in Fig. 2 for the case of A 2 = 100 where Tin ...hand without the interference from the pressure fluctuation. Finally, in order to induce the shear waves to assist the atomization, we require ’c - a and...condition is satisfied. This example demonstrates how hard it is to induce the shear wave to assist in the onset of atomization. It should be

  4. Supply Chain Interoperability Measurement

    DTIC Science & Technology

    2015-06-19

    Supply Chain Interoperability Measurement DISSERTATION June 2015 Christos E. Chalyvidis, Major, Hellenic Air ...Force AFIT-ENS-DS-15-J-001 DEPARTMENT OF THE AIR FORCE AIR UNIVERSITY AIR FORCE INSTITUTE OF TECHNOLOGY Wright-Patterson Air Force...are those of the author and do not reflect the official policy or position of the United States Air Force, Department of Defense, or the United

  5. The innovation value chain.

    PubMed

    Hansen, Morten T; Birkinshaw, Julian

    2007-06-01

    The challenges of coming up with fresh ideas and realizing profits from them are different for every company. One firm may excel at finding good ideas but may have weak systems for bringing them to market. Another organization may have a terrific process for funding and rolling out new products and services but a shortage of concepts to develop. In this article, Hansen and Birkinshaw caution executives against using the latest and greatest innovation approaches and tools without understanding the unique deficiencies in their companies' innovation systems. They offer a framework for evaluating innovation performance: the innovation value chain. It comprises the three main phases of innovation (idea generation, conversion, and diffusion) as well as the critical activities performed during those phases (looking for ideas inside your unit; looking for them in other units; looking for them externally; selecting ideas; funding them; and promoting and spreading ideas companywide). Using this framework, managers get an end-to-end view of their innovation efforts. They can pinpoint their weakest links and tailor innovation best practices appropriately to strengthen those links. Companies typically succumb to one of three broad "weakest-link" scenarios. They are idea poor, conversion poor, or diffusion poor. The article looks at the ways smart companies - including Intuit, P&G, Sara Lee, Shell, and Siemens- modify the best innovation practices and apply them to address those organizations' individual needs and flaws. The authors warn that adopting the chain-based view of innovation requires new measures of what can be delivered by each link in the chain. The approach also entails new roles for employees "external scouts" and "internal evangelists," for example. Indeed, in their search for new hires, companies should seek out those candidates who can help address particular weaknesses in the innovation value chain.

  6. Streamlining the supply chain.

    PubMed

    Neumann, Lydon

    2003-07-01

    Effective management of the supply chain requires attention to: Product management--formulary development and maintenance, compliance, clinical involvement, standardization, and demand-matching. Sourcing and contracting--vendor consolidation, GPO portfolio management, price leveling, content management, and direct contracting Purchasing and payment-cycle--automatic placement, web enablement, centralization, evaluated receipts settlement, and invoice matching Inventory and distribution management--"unofficial" and "official" locations, vendor-managed inventory, automatic replenishment, and freight management.

  7. Preparation of atomic oxygen resistant polymeric materials

    NASA Technical Reports Server (NTRS)

    Tortorelli, Victor J.; Hergenrother, P. M.; Connell, J. W.

    1991-01-01

    Polyphenyl quinoxalines (PPQs) are an important family of high performance polymers that offer good chemical and thermal stability coupled with excellent mechanical properties. These aromatic heterocyclic polymers are potentially useful as films, coatings, adhesives, and composite materials that demand stability in harsh environments. Our approach was to prepare PPQs with pendent siloxane groups using the appropriate chemistry and then evaluate these polymers before and after exposure to simulated atomic oxygen. Either monomer, the bis(o-diamine)s or the bis(alpha-diketone)s can be synthesized with a hydroxy group to which the siloxane chain will be attached. Several novel materials were prepared.

  8. NONLINEAR ATOM OPTICS

    SciTech Connect

    T. MILONNI; G. CSANAK; ET AL

    1999-07-01

    This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The project objectives were to explore theoretically various aspects of nonlinear atom optics effects in cold-atom waves and traps. During the project a major development occurred the observation, by as many as a dozen experimental groups, of Bose-Einstein condensation (BEC) in cold-atom traps. This stimulated us to focus our attention on those aspects of nonlinear atom optics relating to BEC, in addition to continuing our work on a nonequilibrium formalism for dealing with the interaction of an electromagnetic field with multi-level atomic systems, allowing for macroscopic coherence effects such as BEC. Studies of several problems in BEC physics have been completed or are near completion, including the suggested use of external electric fields to modify the nature of the interatomic interaction in cold-atom traps; properties of two-phase condensates; and molecular loss processes associated with BEC experiments involving a so-called Feshbach resonance.

  9. Atomic mass compilation 2012

    SciTech Connect

    Pfeiffer, B.; Venkataramaniah, K.; Czok, U.; Scheidenberger, C.

    2014-03-15

    Atomic mass reflects the total binding energy of all nucleons in an atomic nucleus. Compilations and evaluations of atomic masses and derived quantities, such as neutron or proton separation energies, are indispensable tools for research and applications. In the last decade, the field has evolved rapidly after the advent of new production and measuring techniques for stable and unstable nuclei resulting in substantial ameliorations concerning the body of data and their precision. Here, we present a compilation of atomic masses comprising the data from the evaluation of 2003 as well as the results of new measurements performed. The relevant literature in refereed journals and reports as far as available, was scanned for the period beginning 2003 up to and including April 2012. Overall, 5750 new data points have been collected. Recommended values for the relative atomic masses have been derived and a comparison with the 2003 Atomic Mass Evaluation has been performed. This work has been carried out in collaboration with and as a contribution to the European Nuclear Structure and Decay Data Network of Evaluations.

  10. Atoms talking to SQUIDs

    NASA Astrophysics Data System (ADS)

    Hoffman, J. E.; Grover, J. A.; Ravets, S.; Voigt, K. D.; Lee, J.; Kim, Z.; Wood, A. K.; Schoch, I.; Anderson, J. R.; Dragt, A. J.; Hafezi, M.; Lobb, C. J.; Orozco, L. A.; Rolston, S. L.; Taylor, J. M.; Wellstood, F. C.

    2012-02-01

    We present our advances towards a hybrid quantum system of ^87Rb atoms coupled to a superconducting flux qubit through the magnetic dipole transition. We plan to trap atoms in the evanescent field outside a 500 nm nanofiber. This will allow us to bring the atoms less than 5 μm above the surface of the superconductor without producing excessive heating or changing magnetic fields. As an intermediate step, we plan on coupling the atoms to a superconducting LC resonator. Current progress includes production of nanofibers with >98% transmission, and a tunable high-Q superconducting resonator. Additionally, we show how to use our system as a unified interface for microwave and optical photons, in which the atoms act both as a quantum memory and transduce excitations between the two frequency domains. Using coherent control techniques, we examine conversion and storage of quantum information between microwave photons in superconducting resonators, ensembles of ultracold atoms, and optical photons as well as a method for transferring information between two resonators.

  11. The coprime quantum chain

    NASA Astrophysics Data System (ADS)

    Mussardo, G.; Giudici, G.; Viti, J.

    2017-03-01

    In this paper we introduce and study the coprime quantum chain, i.e. a strongly correlated quantum system defined in terms of the integer eigenvalues n i of the occupation number operators at each site of a chain of length M. The n i ’s take value in the interval [2,q] and may be regarded as S z eigenvalues in the spin representation j  =  (q  ‑  2)/2. The distinctive interaction of the model is based on the coprimality matrix \\boldsymbolΦ : for the ferromagnetic case, this matrix assigns lower energy to configurations where occupation numbers n i and n i+1 of neighbouring sites share a common divisor, while for the anti-ferromagnetic case it assigns a lower energy to configurations where n i and n i+1 are coprime. The coprime chain, both in the ferro and anti-ferromagnetic cases, may present an exponential number of ground states whose values can be exactly computed by means of graph theoretical tools. In the ferromagnetic case there are generally also frustration phenomena. A fine tuning of local operators may lift the exponential ground state degeneracy and, according to which operators are switched on, the system may be driven into different classes of universality, among which the Ising or Potts universality class. The paper also contains an appendix by Don Zagier on the exact eigenvalues and eigenvectors of the coprimality matrix in the limit q\\to ∞ .

  12. Folding of polyglutamine chains

    NASA Astrophysics Data System (ADS)

    Chopra, Manan; Reddy, Allam S.; Abbott, N. L.; de Pablo, J. J.

    2008-10-01

    Long polyglutamine chains have been associated with a number of neurodegenerative diseases. These include Huntington's disease, where expanded polyglutamine (PolyQ) sequences longer than 36 residues are correlated with the onset of symptoms. In this paper we study the folding pathway of a 54-residue PolyQ chain into a β-helical structure. Transition path sampling Monte Carlo simulations are used to generate unbiased reactive pathways between unfolded configurations and the folded β-helical structure of the polyglutamine chain. The folding process is examined in both explicit water and an implicit solvent. Both models reveal that the formation of a few critical contacts is necessary and sufficient for the molecule to fold. Once the primary contacts are formed, the fate of the protein is sealed and it is largely committed to fold. We find that, consistent with emerging hypotheses about PolyQ aggregation, a stable β-helical structure could serve as the nucleus for subsequent polymerization of amyloid fibrils. Our results indicate that PolyQ sequences shorter than 36 residues cannot form that nucleus, and it is also shown that specific mutations inferred from an analysis of the simulated folding pathway exacerbate its stability.

  13. Bucket chain excavator

    SciTech Connect

    Bryan, J.F. Jr.

    1993-07-20

    A machine is described for excavating, elevating and loading material comprising: a main frame having forward and rearward ends; undercarriage means having forward and rearward movement capability for supporting said main frame; a transverse axle rigidly located with respect to said main frame at the forward end thereof; rotating means mounted on said axle so as to extend cantilever wider than any other part of said machine for excavating and for discharging excavated material rearward at an elevated position; chain drive means mounted inwardly on said axle for driving said rotating means and for digging and elevating a portion of the width of a path so that said rotating means and said chain drive means together dig a path wider than any other part of said machine; conveyor means located behind said rotating means for receiving and taking away all material excavated by said chain drive means and said rotating means and conveying said material rearwardly to a material delivery position; and adjustment means for raising and lowering said rotating means relative to said undercarriage.

  14. Atomic scale quantum circuits in Si

    NASA Astrophysics Data System (ADS)

    Dusko, A.; Korkusinski, M.; Saraiva, A.; Delgado, A.; Koiller, B.; Hawrylak, P.

    The atomic scale circuits in Si are now realized by manipulation of dangling bonds on Si surface or incorporating dopant atoms in Si by STM techniques. We describe the electronic properties of these atomic scale quantum dot circuits (QDC) by the extended Hubbard-Kanamori Hamiltonian (HK), including on site Coulomb repulsion (U) and interdot hopping (t) , direct interaction (V) and exchange (J) terms. The interdot terms strongly depend on dopant position (RD) in Si lattice--small changes in RD strongly impact t, Vand J. We study how disorder in RD impacts QDC electronic properties, in particular the interplay of disorder and interactions. With no disorder in RD the energy spectrum (ES) of quantum dot chain at half-filling as a function of U / t (V , J = 0) shows a transition from ES dominated by kinetic energy (U / t < < 1) to ES dominated by Coulomb interactions for U / t > > 1 . The excited states group by single particle energy spacing (Hubbard bands) for weak (strong) interactions. In the weak interaction regime, disorder leads to localization, which strongly affects the electronic properties. We explore the effect of interactions and disorder on HK atomic scale circuits and potential many-body localized phases using Lanczos and Density Matrix Renormalization Group approaches.

  15. Importance of chirality and reduced flexibility of protein side chains: A study with square and tetrahedral lattice models

    NASA Astrophysics Data System (ADS)

    Zhang, Jinfeng; Chen, Yu; Chen, Rong; Liang, Jie

    2004-07-01

    Side chains of amino acid residues are the determining factor that distinguishes proteins from other unstable chain polymers. In simple models they are often represented implicitly (e.g., by spin states) or simplified as one atom. Here we study side chain effects using two-dimensional square lattice and three-dimensional tetrahedral lattice models, with explicitly constructed side chains formed by two atoms of different chirality and flexibility. We distinguish effects due to chirality and effects due to side chain flexibilities, since residues in proteins are L residues, and their side chains adopt different rotameric states. For short chains, we enumerate exhaustively all possible conformations. For long chains, we sample effectively rare events such as compact conformations and obtain complete pictures of ensemble properties of conformations of these models at all compactness region. This is made possible by using sequential Monte Carlo techniques based on chain growth method. Our results show that both chirality and reduced side chain flexibility lower the folding entropy significantly for globally compact conformations, suggesting that they are important properties of residues to ensure fast folding and stable native structure. This corresponds well with our finding that natural amino acid residues have reduced effective flexibility, as evidenced by statistical analysis of rotamer libraries and side chain rotatable bonds. We further develop a method calculating the exact side chain entropy for a given backbone structure. We show that simple rotamer counting underestimates side chain entropy significantly for both extended and near maximally compact conformations. We find that side chain entropy does not always correlate well with main chain packing. With explicit side chains, extended backbones do not have the largest side chain entropy. Among compact backbones with maximum side chain entropy, helical structures emerge as the dominating configurations. Our

  16. Extremely long-lived magnetic excitations in supported Fe chains

    NASA Astrophysics Data System (ADS)

    Gauyacq, J. P.; Lorente, N.

    2016-07-01

    We report on a theoretical study of the lifetime of the first excited state of spin chains made of an odd number of Fe atoms on C u2N /Cu (100 ) . Yan, Choi, Burgess, Rolf-Pissarczyk, and Loth [Nat. Nanotech. 10, 40 (2015), 10.1038/nnano.2014.281] recently observed very long lifetimes in the case of F e3 chains. We consider the decay of the first excited state induced by electron-hole pair creation in the substrate. For a finite magnetic field, the two lowest-lying states in the chain have a quasi-Néel state structure. Decay from one state to the other strongly depends on the degree of entanglement of the local spins in the chain. The weak entanglement in the chain accounts for the long lifetimes that increase exponentially with chain length. Despite their apparently very different properties, the behavior of odd and even chains is governed by the same kind of phenomena, in particular entanglement effects. The present results account quite well for the lifetimes recently measured by Yan et al. on F e3 .

  17. Structural, Electronic, and Mechanical Properties of Chains of Silicon Clusters with Trigonal Bipiramidal Structures

    NASA Astrophysics Data System (ADS)

    Tchernatinsky, Alex; Jayanthi, C. S.; Wu, S. Y.

    2002-03-01

    We report here our investigation of structural, electronic, and mechanical properties of non-trivial silicon chains. These chains are built from elementary blocks of clusters of 5 and 8 silicon atoms, arranged into trigonal bipiramidal structures and periodically continued along the axial direction. The initial configurations are constructed such that there are no dangling bonds associated with any atom along the chains. The stable configurations of the chains are determined by molecular dynamics simulations based on the first-principles method of Sankey and Niklewski [1] using the self-consistency scheme given in Ref. [2]. Mechanical and electronic properties of the resulting stable chains will be presented. 1. O.F.Sankey, and D.J.Niklewski, Phys. Rev. B 40 3979(1989). 2. P.Ordejon, E.Artacho, and J.M.Soler, Phys.Rev. B 53,10441 (1996).

  18. Transport properties for carbon chain sandwiched between heteroatom-doped carbon nanotubes with different doping sites

    NASA Astrophysics Data System (ADS)

    Liu, Wenjiang; Deng, Xiaoqing; Cai, Shaohong

    2016-07-01

    The First-principles calculation is used to investigate the transport properties of a carbon chain connected with N-and/or B-doped caped carbon nanotube acting as electrodes. The I-V curves of the carbon chain are affected by the N/B doping sites, and rectifying behavior can be obtained distinctly when the carbon chain is just connected onto two doping atom sites (N- chain-B), and a weak rectification occurs when N (B) doping at other sites. Interestingly, the spin-filtering effects exist in the junction when it is doped at other sites, undoped system, or N-terminal carbon chains. However, no this behavior is found in N-chain-B and B-chain-B systems. The analysis on the transmission spectra, PDOS, LDOS, spin density, and the electron transmission pathways give an insight into the observed results for the system.

  19. Atom-atom inelastic collisions and three-body atomic recombination in weakly ionized argon plasmas

    NASA Technical Reports Server (NTRS)

    Braun, C. G.; Kunc, J. A.

    1989-01-01

    A stationary collisional-radiative model including both inelastic electron-atom and atom-atom collisions is used to examine nonequilibrium weakly ionized argon plasmas with atomic densities 10 to the 16th to 10 to the 20th/cu cm, temperatures below 6000 K, and with different degrees of radiation trapping. It is shown that three-body atomic recombination becomes important at high particle densities. Comparison is made between the present approach and Thomson's theory for atomic recombination.

  20. Dual chain synthetic heparin-binding growth factor analogs

    DOEpatents

    Zamora, Paul O.; Pena, Louis A.; Lin, Xinhua

    2009-10-06

    The invention provides synthetic heparin-binding growth factor analogs having two peptide chains each branched from a branch moiety, such as trifunctional amino acid residues, the branch moieties separated by a first linker of from 3 to about 20 backbone atoms, which peptide chains bind a heparin-binding growth factor receptor and are covalently bound to a non-signaling peptide that includes a heparin-binding domain, preferably by a second linker, which may be a hydrophobic second linker. The synthetic heparin-binding growth factor analogs are useful as pharmaceutical agents, soluble biologics or as surface coatings for medical devices.

  1. Dual chain synthetic heparin-binding growth factor analogs

    DOEpatents

    Zamora, Paul O [Gaithersburg, MD; Pena, Louis A [Poquott, NY; Lin, Xinhua [Plainview, NY

    2012-04-24

    The invention provides synthetic heparin-binding growth factor analogs having two peptide chains each branched from a branch moiety, such as trifunctional amino acid residues, the branch moieties separated by a first linker of from 3 to about 20 backbone atoms, which peptide chains bind a heparin-binding growth factor receptor and are covalently bound to a non-signaling peptide that includes a heparin-binding domain, preferably by a second linker, which may be a hydrophobic second linker. The synthetic heparin-binding growth factor analogs are useful as pharmaceutical agents, soluble biologics or as surface coatings for medical devices.

  2. Requirements of supply chain management in differentiating European pork chains.

    PubMed

    Trienekens, Jacques; Wognum, Nel

    2013-11-01

    This paper summarizes results obtained by research into pork chain management in the EU Integrated Project Q-Porkchains. Changing demands for intrinsic and extrinsic quality attributes of pork products impact the way supply chain management should be organized from the farmer down to the consumer. The paper shows the importance of Quality Management Systems for integrating supply chains and enhancing consumer confidence. The paper also presents innovations in information system integration for aligning information exchange in the supply chain and logistics concepts based on innovative measurement technologies at the slaughterhouse stage. In the final section research challenges towards sustainable pork supply chains satisfying current consumer demands are presented.

  3. Two-dimensional folded chain crystals of a synthetic polymer in a Langmuir-Blodgett film.

    PubMed

    Kumaki, Jiro; Kawauchi, Takehiro; Yashima, Eiji

    2005-04-27

    Isotactic poly(methyl methacrylate) monolayers deposited from a water surface onto mica at different surface pressures were studied by atomic force microscopy, and their structure formation from single chains to two-dimensional folded chain crystals was clearly observed. Furthermore, gentle crystallization of the monolayer by slow compression on the water surface enabled the observation of crystals at a molecular level, thus visualizing the chain foldings and tie-chains for the first time. The resulting molecular level information will provide an important clue toward the understanding of polymer crystals not only in two dimensions but also in three dimensions.

  4. Atomic resolution holography.

    PubMed

    Hayashi, Kouichi

    2014-11-01

    Atomic resolution holography, such as X-ray fluorescence holography (XFH)[1] and photoelectron holography (PH), has the attention of researcher as an informative local structure analysis, because it provides three dimensional atomic images around specific elements within a range of a few nanometers. It can determine atomic arrangements around a specific element without any prior knowledge of structures. It is considered that the atomic resolution holographic is a third method of structural analysis at the atomic level after X-ray diffraction (XRD) and X-ray absorption fine structure (XAFS). As known by many researchers, XRD and XAFS are established methods that are widespread use in various fields. XRD and XAFS provide information on long-range translational periodicities and very local environments, respectively, whereas the atomic resolution holography gives 3D information on the local order and can visualize surrounding atoms with a large range of coordination shells. We call this feature "3D medium-range local structure observation".In addition to this feature, the atomic resolution holography is very sensitive to the displacement of atoms from their ideal positions, and one can obtain quantitative information about local lattice distortions by analyzing reconstructed atomic images[2] When dopants with different atomic radii from the matrix elements are present, the lattices around the dopants are distorted. However, using the conventional methods of structural analysis, one cannot determine the extent to which the local lattice distortions are preserved from the dopants. XFH is a good tool for solving this problem.Figure 1 shows a recent achievement on a relaxor ferroelectric of Pb(Mg1/3Nb2/3)O3 (PMN) using XFH. The structural studies of relaxor ferroelectrics have been carried out by X-ray or neutron diffractions, which suggested rhombohedral distortions of their lattices. However, their true pictures have not been obtained, yet. The Nb Kα holograms showed

  5. An all-atom structure-based potential for proteins: bridging minimal models with all-atom empirical forcefields.

    PubMed

    Whitford, Paul C; Noel, Jeffrey K; Gosavi, Shachi; Schug, Alexander; Sanbonmatsu, Kevin Y; Onuchic, José N

    2009-05-01

    Protein dynamics take place on many time and length scales. Coarse-grained structure-based (Go) models utilize the funneled energy landscape theory of protein folding to provide an understanding of both long time and long length scale dynamics. All-atom empirical forcefields with explicit solvent can elucidate our understanding of short time dynamics with high energetic and structural resolution. Thus, structure-based models with atomic details included can be used to bridge our understanding between these two approaches. We report on the robustness of folding mechanisms in one such all-atom model. Results for the B domain of Protein A, the SH3 domain of C-Src Kinase, and Chymotrypsin Inhibitor 2 are reported. The interplay between side chain packing and backbone folding is explored. We also compare this model to a C(alpha) structure-based model and an all-atom empirical forcefield. Key findings include: (1) backbone collapse is accompanied by partial side chain packing in a cooperative transition and residual side chain packing occurs gradually with decreasing temperature, (2) folding mechanisms are robust to variations of the energetic parameters, (3) protein folding free-energy barriers can be manipulated through parametric modifications, (4) the global folding mechanisms in a C(alpha) model and the all-atom model agree, although differences can be attributed to energetic heterogeneity in the all-atom model, and (5) proline residues have significant effects on folding mechanisms, independent of isomerization effects. Because this structure-based model has atomic resolution, this work lays the foundation for future studies to probe the contributions of specific energetic factors on protein folding and function.

  6. An All-atom Structure-Based Potential for Proteins: Bridging Minimal Models with All-atom Empirical Forcefields

    PubMed Central

    Whitford, Paul C.; Noel, Jeffrey K.; Gosavi, Shachi; Schug, Alexander; Sanbonmatsu, Kevin Y.; Onuchic, José N.

    2012-01-01

    Protein dynamics take place on many time and length scales. Coarse-grained structure-based (Gō) models utilize the funneled energy landscape theory of protein folding to provide an understanding of both long time and long length scale dynamics. All-atom empirical forcefields with explicit solvent can elucidate our understanding of short time dynamics with high energetic and structural resolution. Thus, structure-based models with atomic details included can be used to bridge our understanding between these two approaches. We report on the robustness of folding mechanisms in one such all-atom model. Results for the B domain of Protein A, the SH3 domain of C-Src Kinase and Chymotrypsin Inhibitor 2 are reported. The interplay between side chain packing and backbone folding is explored. We also compare this model to a Cα structure-based model and an all-atom empirical forcefield. Key findings include 1) backbone collapse is accompanied by partial side chain packing in a cooperative transition and residual side chain packing occurs gradually with decreasing temperature 2) folding mechanisms are robust to variations of the energetic parameters 3) protein folding free energy barriers can be manipulated through parametric modifications 4) the global folding mechanisms in a Cα model and the all-atom model agree, although differences can be attributed to energetic heterogeneity in the all-atom model 5) proline residues have significant effects on folding mechanisms, independent of isomerization effects. Since this structure-based model has atomic resolution, this work lays the foundation for future studies to probe the contributions of specific energetic factors on protein folding and function. PMID:18837035

  7. Atomic oxygen stimulated outgassing

    NASA Technical Reports Server (NTRS)

    Linton, Roger C.; Reynolds, John M.

    1991-01-01

    The passive Long Duration Exposure Facility (LDEF) Experiment A0034, Atomic Oxygen Simulated Outgassing, consisted of two identical one-sixth tray modules, exposing selected thermal control coatings to atomic oxygen and the combined space environment on the leading edge and, for reference, to the relative wake environment on the trailing edge. Optical mirrors were included adjacent to the thermal coatings for deposition of outgassing products. Ultraviolet grade windows and metal covers were provided for additional assessment of the effects of the various environmental factors. Preliminary results indicate that orbital atomic oxygen is both a degrading and a optically restorative factor in the thermo-optical properties of selected thermal coatings. There is evidence of more severe optical degradation on collector mirrors adjacent to coatings that were exposed to the RAM-impinging atomic oxygen. This evidence of atomic oxygen stimulated outgassing is discussed in relation to alternative factors that could affect degradation. The general effects of the space environment on the experiment hardware as well as the specimens are discussed.

  8. Atomic clusters with addressable complexity

    NASA Astrophysics Data System (ADS)

    Wales, David J.

    2017-02-01

    A general formulation for constructing addressable atomic clusters is introduced, based on one or more reference structures. By modifying the well depths in a given interatomic potential in favour of nearest-neighbour interactions that are defined in the reference(s), the potential energy landscape can be biased to make a particular permutational isomer the global minimum. The magnitude of the bias changes the resulting potential energy landscape systematically, providing a framework to produce clusters that should self-organise efficiently into the target structure. These features are illustrated for small systems, where all the relevant local minima and transition states can be identified, and for the low-energy regions of the landscape for larger clusters. For a 55-particle cluster, it is possible to design a target structure from a transition state of the original potential and to retain this structure in a doubly addressable landscape. Disconnectivity graphs based on local minima that have no direct connections to a lower minimum provide a helpful way to visualise the larger databases. These minima correspond to the termini of monotonic sequences, which always proceed downhill in terms of potential energy, and we identify them as a class of biminimum. Multiple copies of the target cluster are treated by adding a repulsive term between particles with the same address to maintain distinguishable targets upon aggregation. By tuning the magnitude of this term, it is possible to create assemblies of the target cluster corresponding to a variety of structures, including rings and chains.

  9. Radiology's value chain.

    PubMed

    Enzmann, Dieter R

    2012-04-01

    A diagnostic radiology value chain is constructed to define its main components, all of which are vulnerable to change, because digitization has caused disaggregation of the chain. Some components afford opportunities to improve productivity, some add value, while some face outsourcing to lower labor cost and to information technology substitutes, raising commoditization risks. Digital image information, because it can be competitive at smaller economies of scale, allows faster, differential rates of technological innovation of components, initiating a centralization-to-decentralization technology trend. Digitization, having triggered disaggregation of radiology's professional service model, may soon usher in an information business model. This means moving from a mind-set of "reading images" to an orientation of creating and organizing information for greater accuracy, faster speed, and lower cost in medical decision making. Information businesses view value chain investments differently than do small professional services. In the former model, producing a better business product will extend image interpretation beyond a radiologist's personal fund of knowledge to encompass expanding external imaging databases. A follow-on expansion with integration of image and molecular information into a report will offer new value in medical decision making. Improved interpretation plus new integration will enrich and diversify radiology's key service products, the report and consultation. A more robust, information-rich report derived from a "systems" and "computational" radiology approach will be facilitated by a transition from a professional service to an information business. Under health care reform, radiology will transition its emphasis from volume to greater value. Radiology's future brightens with the adoption of a philosophy of offering information rather than "reads" for decision making. Staunchly defending the status quo via turf wars is unlikely to constitute a

  10. Atomic-Resolution Kinked Structure of an Alkylporphyrin on Highly Ordered Pyrolytic Graphite.

    PubMed

    Chin, Yiing; Panduwinata, Dwi; Sintic, Maxine; Sum, Tze Jing; Hush, Noel S; Crossley, Maxwell J; Reimers, Jeffrey R

    2011-01-20

    The atomic structure of the chains of an alkyl porphyrin (5,10,15,20-tetranonadecylporphyrin) self-assembled monolayer (SAM) at the solid/liquid interface of highly ordered pyrolytic graphite (HOPG) and 1-phenyloctane is resolved using calibrated scanning tunneling microscopy (STM), density functional theory (DFT) image simulations, and ONIOM-based geometry optimizations. While atomic structures are often readily determined for porphyrin SAMs, the determination of the structure of alkyl-chain connections has not previously been possible. A graphical calibration procedure is introduced, allowing accurate observation of SAM lattice parameters, and, of the many possible atomic structures modeled, only the lowest-energy structure obtained was found to predict the observed lattice parameters and image topography. Hydrogen atoms are shown to provide the conduit for the tunneling current through the alkyl chains.

  11. Monte Carlo without chains

    SciTech Connect

    Chorin, Alexandre J.

    2007-12-12

    A sampling method for spin systems is presented. The spin lattice is written as the union of a nested sequence of sublattices, all but the last with conditionally independent spins, which are sampled in succession using their marginals. The marginals are computed concurrently by a fast algorithm; errors in the evaluation of the marginals are offset by weights. There are no Markov chains and each sample is independent of the previous ones; the cost of a sample is proportional to the number of spins (but the number of samples needed for good statistics may grow with array size). The examples include the Edwards-Anderson spin glass in three dimensions.

  12. Musical Markov Chains

    NASA Astrophysics Data System (ADS)

    Volchenkov, Dima; Dawin, Jean René

    A system for using dice to compose music randomly is known as the musical dice game. The discrete time MIDI models of 804 pieces of classical music written by 29 composers have been encoded into the transition matrices and studied by Markov chains. Contrary to human languages, entropy dominates over redundancy, in the musical dice games based on the compositions of classical music. The maximum complexity is achieved on the blocks consisting of just a few notes (8 notes, for the musical dice games generated over Bach's compositions). First passage times to notes can be used to resolve tonality and feature a composer.

  13. The polymerase chain reaction.

    PubMed

    Welch, Hazel M

    2012-01-01

    The polymerase chain reaction (PCR) has had a significant impact on all aspects of the molecular biosciences, from cancer research to forensic science. The sensitivity and specificity inherent in the technique allow minute quantities of genetic material to be detected while the unique properties of thermostable DNA polymerase ensure that abundant copies are reliably reproduced to levels that can be visualized and/or used for further applications. This chapter describes applications of PCR and PCR-RT to investigate primary cancer and metastatic disease at both the DNA and mRNA expression levels.

  14. Fundamental symmetries studies with cold trapped francium atoms at ISAC

    NASA Astrophysics Data System (ADS)

    Gwinner, G.; Gomez, E.; Orozco, L. A.; Perez Galvan, A.; Sheng, D.; Zhao, Y.; Sprouse, G. D.; Behr, J. A.; Jackson, K. P.; Pearson, M. R.; Aubin, S.; Flambaum, V. V.

    2006-09-01

    Francium combines a heavy nucleus ( Z = 87) with the simple atomic structure of alkalis and is a very promising candidate for precision tests of fundamental symmetries such as atomic parity non-conservation measurements. Fr has no stable isotopes, and the ISAC radioactive beam facility at TRIUMF, equipped with an actinide target, promises to provide record quantities of Fr atoms, up to 1010/s for some isotopes. We discuss our plans for a Fr on-line laser trapping facility at ISAC and experiments with samples of cold Fr atoms. We outline our plans for a measurement of the nuclear anapole moment a parity non-conserving, time-reversal conserving moment that arises from weak interactions between nucleons in a chain of Fr isotopes. Its measurement is a unique probe for neutral weak interactions inside the nucleus.

  15. Fundamental symmetries studies with cold trapped francium atoms at ISAC

    NASA Astrophysics Data System (ADS)

    Gwinner, G.; Gomez, E.; Orozco, L. A.; Gaivan, A. Perez; Sheng, D.; Zhao, Y.; Sprouse, G. D.; Behr, J. A.; Jackson, K. P.; Pearson, M. R.; Aubin, S.; Flambaum, V. V.

    Francium combines a heavy nucleus (Z = 87) with the simple atomic structure of alkalis and is a very promising candidate for precision tests of fundamental symmetries such as atomic parity non-conservation measurements. Fr has no stable isotopes, and the ISAC radioactive beam facility at TRIUMF, equipped with an actinide target, promises to provide record quantities of Fr atoms, up to 1010/s for some isotopes. We discuss our plans for a Fr on-line laser trapping facility at ISAC and experiments with samples of cold Fr atoms. We outline our plans for a measurement of the nuclear anapole moment — a parity non-conserving, time-reversal conserving moment that arises from weak interactions between nucléons — in a chain of Fr isotopes. Its measurement is a unique probe for neutral weak interactions inside the nucleus.

  16. [Trophic chains in soil].

    PubMed

    Goncharov, A A; Tiunov, A V

    2013-01-01

    Trophic links of soil animals are extensively diverse but also flexible. Moreover, feeding activity of large soil saprotrophs often cascades into a range of ecosystem-level consequences via the ecological engineering. Better knowledge on the main sources of energy utilized by soil animals is needed for understanding functional structure of soil animal communities and their participation in the global carbon cycling. Using published and original data, we consider the relative importance of dead organic matter and saprotrophic microorganisms as a basal energy source in the detritus-based food chains, the feeding of endogeic macrofauna on the stabilized soil organic matter, and the role of recent photosynthate in the energy budget of soil communities. Soil food webs are spatially and functionally compartmentalized, though the separation of food chains into bacteria- and fungi-based channels seems to be an over-simplification. The regulation of the litter decomposition rates via top-down trophic interactions across more than one trophic level is only partly supported by experimental data, but mobile litter-dwelling predators play a crucial role in integrating local food webs within and across neighboring ecosystems.

  17. Protein-ligand docking with multiple flexible side chains

    NASA Astrophysics Data System (ADS)

    Zhao, Yong; Sanner, Michel F.

    2008-09-01

    In this work, we validate and analyze the results of previously published cross docking experiments and classify failed dockings based on the conformational changes observed in the receptors. We show that a majority of failed experiments (i.e. 25 out of 33, involving four different receptors: cAPK, CDK2, Ricin and HIVp) are due to conformational changes in side chains near the active site. For these cases, we identify the side chains to be made flexible during docking calculation by superimposing receptors and analyzing steric overlap between various ligands and receptor side chains. We demonstrate that allowing these side chains to assume rotameric conformations enables the successful cross docking of 19 complexes (ligand all atom RMSD < 2.0 Å) using our docking software FLIPDock. The number of side receptor side chains interacting with a ligand can vary according to the ligand's size and shape. Hence, when starting from a complex with a particular ligand one might have to extend the region of potential interacting side chains beyond the ones interacting with the known ligand. We discuss distance-based methods for selecting additional side chains in the neighborhood of the known active site. We show that while using the molecular surface to grow the neighborhood is more efficient than Euclidian-distance selection, the number of side chains selected by these methods often remains too large and additional methods for reducing their count are needed. Despite these difficulties, using geometric constraints obtained from the network of bonded and non-bonded interactions to rank residues and allowing the top ranked side chains to be flexible during docking makes 22 out of 25 complexes successful.

  18. Korean atomic bomb victims.

    PubMed

    Sasamoto, Yukuo

    2009-01-01

    After colonizing Korea, Japan invaded China, and subsequently initiated the Pacific War against the United States, Britain, and their allies. Towards the end of the war, U.S. warplanes dropped atomic bombs on Hiroshima and Nagasaki, which resulted in a large number of Koreans who lived in Hiroshima and Nagasaki suffering from the effects of the bombs. The objective of this paper is to examine the history of Korea atomic bomb victims who were caught in between the U.S., Japan, the Republic of Korea (South Korea) and the Democratic People's Republic of Korea (North Korea).

  19. Iowa Powder Atomization Technologies

    SciTech Connect

    2012-01-01

    The same atomization effect seen in a fuel injector is being applied to titanium metal resulting in fine titanium powders that are less than half the width of a human hair. Titanium melts above 3,000°F and is highly corrosive therefore requiring specialized containers. The liquid titanium is poured through an Ames Laboratory - USDOE patented tube which is intended to increase the energy efficiency of the atomization process, which has the ability to dramatically decrease the cost of fine titanium powders. This novel process could open markets for green manufacturing of titanium components from jet engines to biomedical implants.

  20. Atomic Force Microscope

    SciTech Connect

    Day, R.D.; Russell, P.E.

    1988-12-01

    The Atomic Force Microscope (AFM) is a recently developed instrument that has achieved atomic resolution imaging of both conducting and non- conducting surfaces. Because the AFM is in the early stages of development, and because of the difficulty of building the instrument, it is currently in use in fewer than ten laboratories worldwide. It promises to be a valuable tool for obtaining information about engineering surfaces and aiding the .study of precision fabrication processes. This paper gives an overview of AFM technology and presents plans to build an instrument designed to look at engineering surfaces.

  1. Atomic cluster collisions

    NASA Astrophysics Data System (ADS)

    Korol, Andrey V.; Solov'yov, Andrey

    2013-01-01

    Atomic cluster collisions are a field of rapidly emerging research interest by both experimentalists and theorists. The international symposium on atomic cluster collisions (ISSAC) is the premier forum to present cutting-edge research in this field. It was established in 2003 and the most recent conference was held in Berlin, Germany in July of 2011. This Topical Issue presents original research results from some of the participants, who attended this conference. This issues specifically focuses on two research areas, namely Clusters and Fullerenes in External Fields and Nanoscale Insights in Radiation Biodamage.

  2. Atomization and Mixing Study

    NASA Technical Reports Server (NTRS)

    Ferrenberg, A.; Hunt, K.; Duesberg, J.

    1985-01-01

    The primary objective was the obtainment of atomization and mixing performance data for a variety of typical liquid oxygen/hydrocarbon injector element designs. Such data are required to establish injector design criteria and to provide critical inputs to liquid rocket engine combustor performance and stability analysis, and computational codes and methods. Deficiencies and problems with the atomization test equipment were identified, and action initiated to resolve them. Test results of the gas/liquid mixing tests indicated that an assessment of test methods was required. A series of 71 liquid/liquid tests were performed.

  3. Iowa Powder Atomization Technologies

    ScienceCinema

    None

    2016-07-12

    The same atomization effect seen in a fuel injector is being applied to titanium metal resulting in fine titanium powders that are less than half the width of a human hair. Titanium melts above 3,000°F and is highly corrosive therefore requiring specialized containers. The liquid titanium is poured through an Ames Laboratory - USDOE patented tube which is intended to increase the energy efficiency of the atomization process, which has the ability to dramatically decrease the cost of fine titanium powders. This novel process could open markets for green manufacturing of titanium components from jet engines to biomedical implants.

  4. Action Minimising Fronts in General FPU-type Chains

    NASA Astrophysics Data System (ADS)

    Herrmann, Michael

    2011-02-01

    We study atomic chains with nonlinear nearest neighbour interactions and prove the existence of fronts (heteroclinic travelling waves with constant asymptotic states). Generalising recent results of Herrmann and Rademacher we allow for non-convex interaction potentials and find fronts with non-monotone profile. These fronts minimise an action integral and can only exists if the asymptotic states fulfil the macroscopic constraints and if the interaction potential satisfies a geometric graph condition. Finally, we illustrate our findings by numerical simulations.

  5. The rheology of chain molecules under shear

    NASA Astrophysics Data System (ADS)

    Moore, Jonathan David

    The rheology of chain molecules is a subject that comprises a wide variety of complex physical phenomena, challenging scientific questions, and fundamentally important practical applications. In this work, nonequilibrium molecular dynamics (NEMD) is employed to study linear and branched alkane chains in the melt state under transient and steady-state shearing conditions. This study focuses on three isomers of C30H62 (n- triacontane, squalane, and 9-n- octyldocosane) as well as a linear short-chain polyethylene (C100H202). A transferable united atom potential is used to model these alkane chains, and the simulations of planar Couette flow are performed using the SLLOD algorithm and a multi- timestep, simulation technique. The strain rates studied in this work (108-10 12 s-1) are extremely difficult to study experimentally yet typical of the severe conditions commonly found in engines and other machinery. NEMD and the united atom model underpredict the kinematic viscosities of n-triacontane and 9- n-octyldocosane but accurately predict the values for squalane (within 15%) at temperatures of 311 and 372 K. The predicted kinematic viscosity index values for both 9- n-octyldocosane and squalane are in quantitative agreement with experiment and represent the first such predictions by molecular simulation. Thus, this same general potential model and computational approach can be used to predict this important lubricant property for potential lubricants prior to their synthesis, offering the possibility of simulation-guided lubricant design. Simulations of C100H202 under steady-state shearing conditions reveal a pronounced minimum in the hydrostatic pressure at an intermediate strain rate that is associated with a minimum in the intermolecular potential energy as well as transitions in the strain-rate-dependent behavior of several other viscous and structural properties of the system. Upon onset of shear, the stress overshoot curves calculated for C100 are in good

  6. Strong gold atom strands formed by incorporation of carbon atoms

    NASA Astrophysics Data System (ADS)

    Oshima, Yoshifumi; Kurui, Yoshihiko; Nguyen, Huy Duy; Ono, Tomoya; Takayanagi, Kunio

    2011-07-01

    Single metal atom strands have attracted significant interest because of their unique properties, such as quantization effects and a high degree of strength. Recently it was suggested that the strength of a gold atom strand can be enhanced by the insertion of an impurity atom, but it has not been experimentally investigated. Using a transmission electron microscope under ultrahigh vacuum conditions, we observed that gold atoms were pulled out one by one from a carbon-contaminated gold (111) surface to form a long atom strand. The strand was so strong that it did not break even upon bending. Supported by first-principles calculations, the strand was found to have two carbon atoms at each gold atom interval. Our observations suggest that the carbon atoms act as a glue to form a long gold atom strand.

  7. Spatially resolved photoionization of ultracold atoms on an atom chip

    SciTech Connect

    Kraft, S.; Guenther, A.; Fortagh, J.; Zimmermann, C.

    2007-06-15

    We report on photoionization of ultracold magnetically trapped Rb atoms on an atom chip. The atoms are trapped at 5 {mu}K in a strongly anisotropic trap. Through a hole in the chip with a diameter of 150 {mu}m, two laser beams are focused onto a fraction of the atomic cloud. A first laser beam with a wavelength of 778 nm excites the atoms via a two-photon transition to the 5D level. With a fiber laser at 1080 nm the excited atoms are photoionized. Ionization leads to depletion of the atomic density distribution observed by absorption imaging. The resonant ionization spectrum is reported. The setup used in this experiment is suitable not only to investigate mixtures of Bose-Einstein condensates and ions but also for single-atom detection on an atom chip.

  8. Structurally driven magnetic state transition of biatomic Fe chains on Ir(001)

    NASA Astrophysics Data System (ADS)

    Mokrousov, Yuriy; Thiess, Alexander; Heinze, Stefan

    2009-11-01

    Using first-principles calculations, we demonstrate that the magnetic exchange interaction and the magnetocrystalline anisotropy of biatomic Fe chains grown in the trenches of the (5×1) reconstructed Ir(001) surface depend sensitively on the atomic arrangement of the Fe atoms. Two structural configurations have been considered which are suggested from recent experiments. They differ by the local symmetry and the spacing between the two strands of the biatomic Fe chain. Since both configurations are very close in total energy they may coexist in experiment. We have investigated collinear ferro- and antiferromagnetic solutions as well as a collinear state with two moments in one direction and one in the opposite direction ( ↑↓↑ -state). For the structure with a small interchain spacing, there is a strong exchange interaction between the strands and the ferromagnetic state is energetically favorable. In the structure with larger spacing, the two strands are magnetically nearly decoupled and exhibit antiferromagnetic order along the chain. In both cases, due to hybridization with the Ir substrate the exchange interaction along the chain axis is relatively small compared to free-standing biatomic iron chains. The easy magnetization axis of the Fe chains also switches with the structural configuration and is out-of-plane for the ferromagnetic chains with small spacing and along the chain axis for the antiferromagnetic chains with large spacing between the two strands. Calculated scanning tunneling microscopy images and spectra suggest the possibility to experimentally distinguish between the two structural and magnetic configurations.

  9. Potential enhancement of antibacterial activity of graphene oxide-silver nanocomposite by introducing C2 carbon chain linkage

    NASA Astrophysics Data System (ADS)

    Yun, Hyosuk; Ahmed, Mohammad Shamsuddin; Lee, Kyungmi; Jeon, Seungwon; Lee, Chul Won

    2016-01-01

    Various carbon chain linkages were introduced during the process of synthesizing silver-nanoparticles (AgNPs)-decorated graphene nanocomposites [referred to as GO-Cx-Ag where, HS-(CH2)x-SH = Cx and x = 0, 2, or 4] to evaluate antibacterial properties. The nano-structures of GO-Cx-Ag were characterized using TEM and XPS, revealing that GO-C2-Ag comprises well-dispersed and smaller AgNPs anchored onto the surface of graphene sheets than the GO-C0-Ag and GO-C4-Ag. The antibacterial activities of those nanocomposites were assessed using paper-disk diffusion and minimal inhibitory concentration (MIC) methods against Gram-negative and Gram-positive bacteria. The results showed that carbon chain linkers enhanced the antibacterial activity against Gram-negative Salmonella typhimurium and Pseudomonas aeruginosa and Gram-positive Staphylococcus aureus. In particular, GO-C2-Ag showed higher antibacterial activity than GO-C0-Ag and GO-C4-Ag due to nearly eight times higher reactive oxygen species (ROS) formation which determined by fluorescence-based ROS detection experiment. Also, LC-inductively coupled plasma mass spectrometer (LC-ICP-MS) demonstrated that the Ag release from GO-Cx-Ag was insignificant (0.03%). However, the higher ROS formation from GO-C2-Ag was facilitated by higher dispersion, smaller size, and well attachment of AgNPs with AgO species onto graphene sheets. These results suggest that the medium length carbon chain linkers in between Ag and GO can be utilized to improve antibacterial activity.

  10. Creation and transfer of nonclassical states of motion using Rydberg dressing of atoms in a lattice

    NASA Astrophysics Data System (ADS)

    Buchmann, L. F.; Mølmer, K.; Petrosyan, D.

    2017-01-01

    We theoretically investigate the manipulation of the motional states of trapped ground-state atoms using Rydberg dressing via nonresonant laser fields. The forces resulting from Rydberg state interaction between dressed neighboring atoms in an array of microtraps or an optical lattice can strongly couple their motion. We show that intensity modulation of the dressing field allows us to squeeze the relative motion of a pair of atoms and generate nonclassical mechanical states. Extending this pairwise scheme to one-dimensional chains provides flexible control over the mechanical degrees of freedom of the whole system. We illustrate our findings with protocols to manipulate all motional degrees of freedom of a pair of atoms and create entangled states. We also present a method to transfer nonclassical correlations along an atomic chain of nontrivial length. The long-lived nature of motional states, together with the high tunability of Rydberg dressing, makes our proposal feasible for current experimental setups.

  11. Origin of the smaller conductances of Rh, Pb, and Co atomic junctions in hydrogen environment

    SciTech Connect

    Li, Xue; Chen, Mingyan; Ye, Xiang; Xie, Yi-qun; Ke, San-huang

    2015-02-14

    We study theoretically the structural and electronic origins of the smaller conductances (one conductance quantum, G{sub 0}, and smaller) of Rh, Pb, and Co metal atomic junctions (MAJs) in a hydrogen environment, as were measured in recent experiments. For the Rh MAJs, the 1G{sub 0} conductance is attributed to a stable contact bridged by a single hydrogen molecule whose antibonding state provides a single transport channel. For the Pb and Co MAJs the 1G{sub 0} conductance is, however, ascribed to a linear atomic chain adsorbing two dissociated H atoms, which largely reduces the density of states at the Fermi energy with respect to the pure ones. On the other hand, the small conductances of 0.3G{sub 0} (Rh) and 0.2G{sub 0} (Co) are due to H-decorated atomic chains connected to electrodes by a H atom.

  12. Atomically Traceable Nanostructure Fabrication.

    PubMed

    Ballard, Josh B; Dick, Don D; McDonnell, Stephen J; Bischof, Maia; Fu, Joseph; Owen, James H G; Owen, William R; Alexander, Justin D; Jaeger, David L; Namboodiri, Pradeep; Fuchs, Ehud; Chabal, Yves J; Wallace, Robert M; Reidy, Richard; Silver, Richard M; Randall, John N; Von Ehr, James

    2015-07-17

    Reducing the scale of etched nanostructures below the 10 nm range eventually will require an atomic scale understanding of the entire fabrication process being used in order to maintain exquisite control over both feature size and feature density. Here, we demonstrate a method for tracking atomically resolved and controlled structures from initial template definition through final nanostructure metrology, opening up a pathway for top-down atomic control over nanofabrication. Hydrogen depassivation lithography is the first step of the nanoscale fabrication process followed by selective atomic layer deposition of up to 2.8 nm of titania to make a nanoscale etch mask. Contrast with the background is shown, indicating different mechanisms for growth on the desired patterns and on the H passivated background. The patterns are then transferred into the bulk using reactive ion etching to form 20 nm tall nanostructures with linewidths down to ~6 nm. To illustrate the limitations of this process, arrays of holes and lines are fabricated. The various nanofabrication process steps are performed at disparate locations, so process integration is discussed. Related issues are discussed including using fiducial marks for finding nanostructures on a macroscopic sample and protecting the chemically reactive patterned Si(100)-H surface against degradation due to atmospheric exposure.

  13. Experiments with Ξ- atoms

    NASA Astrophysics Data System (ADS)

    Batty, C. J.; Friedman, E.; Gal, A.

    1999-01-01

    Experiments with Ξ- atoms are proposed in order to study the nuclear interaction of Ξ hyperons. The production of Ξ- in the (K-,K+) reaction, the Ξ- stopping in matter, and its atomic cascade are incorporated within a realistic evaluation of the results expected for Ξ- x-ray spectra across the periodic table, using an assumed Ξ-nucleus optical potential Vopt. Several optimal targets for measuring the strong-interaction shift and width of the x-ray transition to the ``last'' atomic level observed are singled out: F, Cl, I, and Pb. The sensitivity of these observables to the parameters of Vopt is considered. The relevance of such experiments is discussed in the context of strangeness -2 nuclear physics and multistrange nuclear matter. Finally, with particular reference to searches for the H dibaryon, the properties of Ξ-d atoms are also discussed. The role of Stark mixing and its effect on S and P state capture of Ξ- by the deuteron together with estimates of the resulting probability for producing the H dibaryon are considered in detail.

  14. Atomic and Molecular Processes

    DTIC Science & Technology

    1980-06-25

    The topics investigated experimentally and theoretically by the Pittsburgh Atomic Sciences Institute with applications to high power laser development and atmospheric IR backgrounds are enumerated. Reports containing the detailed scientific progress in these studies are cited. Finally, a list of the journal articles describing the results of the programs, with full references, is given.

  15. Energy from the Atom.

    ERIC Educational Resources Information Center

    Smith, Patricia L.

    This curriculum guide was written to supplement fifth and sixth grade science units on matter and energy. It was designed to provide more in-depth material on the atom. The first part, "Teacher Guide," contains background information, biographical sketches of persons in the history of nuclear energy, vocabulary, answer sheets, management sheets…

  16. Chiral atomically thin films.

    PubMed

    Kim, Cheol-Joo; Sánchez-Castillo, A; Ziegler, Zack; Ogawa, Yui; Noguez, Cecilia; Park, Jiwoong

    2016-06-01

    Chiral materials possess left- and right-handed counterparts linked by mirror symmetry. These materials are useful for advanced applications in polarization optics, stereochemistry and spintronics. In particular, the realization of spatially uniform chiral films with atomic-scale control of their handedness could provide a powerful means for developing nanodevices with novel chiral properties. However, previous approaches based on natural or grown films, or arrays of fabricated building blocks, could not offer a direct means to program intrinsic chiral properties of the film on the atomic scale. Here, we report a chiral stacking approach, where two-dimensional materials are positioned layer-by-layer with precise control of the interlayer rotation (θ) and polarity, resulting in tunable chiral properties of the final stack. Using this method, we produce left- and right-handed bilayer graphene, that is, a two-atom-thick chiral film. The film displays one of the highest intrinsic ellipticity values (6.5 deg μm(-1)) ever reported, and a remarkably strong circular dichroism (CD) with the peak energy and sign tuned by θ and polarity. We show that these chiral properties originate from the large in-plane magnetic moment associated with the interlayer optical transition. Furthermore, we show that we can program the chiral properties of atomically thin films layer-by-layer by producing three-layer graphene films with structurally controlled CD spectra.

  17. Atoms in Astronomy.

    ERIC Educational Resources Information Center

    Blanchard, Paul A.

    This booklet is part of an American Astronomical Society curriculum project designed to provide teaching materials to teachers of secondary school chemistry, physics, and earth science. A Basic Topics section discusses atomic structure, emphasizing states of matter at high temperature and spectroscopic analysis of light from the stars. A section…

  18. Chiral atomically thin films

    NASA Astrophysics Data System (ADS)

    Kim, Cheol-Joo; Sánchez-Castillo, A.; Ziegler, Zack; Ogawa, Yui; Noguez, Cecilia; Park, Jiwoong

    2016-06-01

    Chiral materials possess left- and right-handed counterparts linked by mirror symmetry. These materials are useful for advanced applications in polarization optics, stereochemistry and spintronics. In particular, the realization of spatially uniform chiral films with atomic-scale control of their handedness could provide a powerful means for developing nanodevices with novel chiral properties. However, previous approaches based on natural or grown films, or arrays of fabricated building blocks, could not offer a direct means to program intrinsic chiral properties of the film on the atomic scale. Here, we report a chiral stacking approach, where two-dimensional materials are positioned layer-by-layer with precise control of the interlayer rotation (θ) and polarity, resulting in tunable chiral properties of the final stack. Using this method, we produce left- and right-handed bilayer graphene, that is, a two-atom-thick chiral film. The film displays one of the highest intrinsic ellipticity values (6.5 deg μm-1) ever reported, and a remarkably strong circular dichroism (CD) with the peak energy and sign tuned by θ and polarity. We show that these chiral properties originate from the large in-plane magnetic moment associated with the interlayer optical transition. Furthermore, we show that we can program the chiral properties of atomically thin films layer-by-layer by producing three-layer graphene films with structurally controlled CD spectra.

  19. Atomism, Pragmatism, Holism.

    ERIC Educational Resources Information Center

    Miller, John P.

    1986-01-01

    Examines three world views influencing curriculum development--atomism (underpinning competency-based education), pragmatism (promoting inquiry-based approaches), amd holism (associated with confluent or Waldorf education). Holism embodies the perennial philosophy and attempts to integrate cognitive, affective, and transpersonal dimensions,…

  20. Observational Evidence for Atoms.

    ERIC Educational Resources Information Center

    Jones, Edwin R., Jr.; Childers, Richard L.

    1984-01-01

    Discusses the development of the concept of atomicity and some of the many which can be used to establish its validity. Chemical evidence, evidence from crystals, Faraday's law of electrolysis, and Avogadro's number are among the areas which show how the concept originally developed from a purely philosophical idea. (JN)

  1. Atomic Oxygen Task

    NASA Technical Reports Server (NTRS)

    Hadaway, James B.

    1997-01-01

    This report details work performed by the Center for Applied Optics (CAO) at the University of Alabama in Huntsville (UAH) on the contract entitled 'Atomic Oxygen Task' for NASA's Marshall Space Flight Center (contract NAS8-38609, Delivery Order 109, modification number 1). Atomic oxygen effects on exposed materials remain a critical concern in designing spacecraft to withstand exposure in the Low Earth Orbit (LEO) environment. The basic objective of atomic oxygen research in NASA's Materials & Processes (M&P) Laboratory is to provide the solutions to material problems facing present and future space missions. The objective of this work was to provide the necessary research for the design of specialized experimental test configurations and development of techniques for evaluating in-situ space environmental effects, including the effects of atomic oxygen and electromagnetic radiation on candidate materials. Specific tasks were performed to address materials issues concerning accelerated environmental testing as well as specifically addressing materials issues of particular concern for LDEF analysis and Space Station materials selection.

  2. NNSA TRITIUM SUPPLY CHAIN

    SciTech Connect

    Wyrick, Steven; Cordaro, Joseph; Founds, Nanette; Chambellan, Curtis

    2013-08-21

    Savannah River Site plays a critical role in the Tritium Production Supply Chain for the National Nuclear Security Administration (NNSA). The entire process includes: • Production of Tritium Producing Burnable Absorber Rods (TPBARs) at the Westinghouse WesDyne Nuclear Fuels Plant in Columbia, South Carolina • Production of unobligated Low Enriched Uranium (LEU) at the United States Enrichment Corporation (USEC) in Portsmouth, Ohio • Irradiation of TPBARs with the LEU at the Tennessee Valley Authority (TVA) Watts Bar Reactor • Extraction of tritium from the irradiated TPBARs at the Tritium Extraction Facility (TEF) at Savannah River Site • Processing the tritium at the Savannah River Site, which includes removal of nonhydrogen species and separation of the hydrogen isotopes of protium, deuterium and tritium.

  3. Atwood's Heavy Chain

    NASA Astrophysics Data System (ADS)

    Beeken, Paul

    2011-11-01

    While perusing various websites in search of a more challenging lab for my students, I came across a number of ideas where replacing the string in an Atwood's machine with a simple ball chain like the kind found in lamp pulls created an interesting system to investigate. The replacement of the string produced a nice nonuniform acceleration, but one that my AP® students found difficult to analyze given their current math background. As the year progressed, we began to explore the importance of work and its utility in making predictions on systems that did not lend themselves to easy analysis using Newtonian mechanics. The effort made it apparent that the heavy rope Atwood's machine would make a perfect system for investigation using the lessons gained from work and energy.

  4. Trapped Atoms in One-Dimensional Photonic Crystals

    NASA Astrophysics Data System (ADS)

    Kimble, H.

    2013-05-01

    I describe one-dimensional photonic crystals that support a guided mode suitable for atom trapping within a unit cell, as well as a second probe mode with strong atom-photon interactions. A new hybrid trap is analyzed that combines optical and Casimir-Polder forces to form stable traps for neutral atoms in dielectric nanostructures. By suitable design of the band structure, the atomic spontaneous emission rate into the probe mode can exceed the rate into all other modes by more than tenfold. The unprecedented single-atom reflectivity r0 ~= 0 . 9 for the guided probe field could create new scientific opportunities, including quantum many-body physics for 1 D atom chains with photon-mediated interactions and high-precision studies of vacuum forces. Towards these goals, my colleagues and I are pursuing numerical simulation, device fabrication, and cold-atom experiments with nanoscopic structures. Funding is provided by by the IQIM, an NSF PFC with support of the Moore Foundation, by the AFOSR QuMPASS MURI, by the DoD NSSEFF program (HJK), and by NSF Grant PHY0652914 (HJK). DEC acknowledges funding from Fundacio Privada Cellex Barcelona.

  5. Chain Transfer of Vegetable Oil Macromonomers in Acrylic Solution Copolymerization

    SciTech Connect

    Black, Micah; Messman, Jamie M; Rawlins, James

    2011-01-01

    Use of vegetable oil macromonomers (VOMMs) as comonomers in emulsion polymerization enables good film coalescence without the addition of solvents that constitute volatile organic compounds (VOCs). VOMMs are derived from renewable resources and offer the potential of post-application crosslinking via auto-oxidation. However, chain transfer reactions of VOMMs with initiator and/or polymer radicals during emulsion polymerization reduce the amount of allylic hydrogen atoms available for primary auto-oxidation during drying. Vegetable oils and derivatives were reacted in combination with butyl acrylate and methyl methacrylate via solution polymerization. The copolymerization was monitored using in situ infrared spectroscopy to determine the extent of chain transfer. 1H NMR spectroscopy was used to determine the loci of chain transfer and the molecular weight characteristics of the polymers were characterized by SEC. Solution polymerization was utilized to minimize temperature fluctuations and maintain polymer solubility during the initial characterization.

  6. Equilibrium distribution of the wave energy in a carbyne chain

    NASA Astrophysics Data System (ADS)

    Kovriguine, D. A.; Nikitenkova, S. P.

    2016-03-01

    The steady-state energy distribution of thermal vibrations at a given ambient temperature has been investigated based on a simple mathematical model that takes into account central and noncentral interactions between carbon atoms in a one-dimensional carbyne chain. The investigation has been performed using standard asymptotic methods of nonlinear dynamics in terms of the classical mechanics. In the first-order nonlinear approximation, there have been revealed resonant wave triads that are formed at a typical nonlinearity of the system under phase matching conditions. Each resonant triad consists of one longitudinal and two transverse vibration modes. In the general case, the chain is characterized by a superposition of similar resonant triplets of different spectral scales. It has been found that the energy equipartition of nonlinear stationary waves in the carbyne chain at a given temperature completely obeys the standard Rayleigh-Jeans law due to the proportional amplitude dispersion. The possibility of spontaneous formation of three-frequency envelope solitons in carbyne has been demonstrated. Heat in the form of such solitons can propagate in a chain of carbon atoms without diffusion, like localized waves.

  7. Crystal structure of an ethylene sorption complex of fully vacuum-dehydrated fully Ag+-exchanged zeolite X (FAU). Silver atoms have reduced ethylene to give CH2 2- carbanions at framework oxide vacancies.

    PubMed

    Lee, Young Mi; Choi, Seo Jung; Kim, Yang; Seff, Karl

    2005-11-03

    The crystal structure of an ethylene sorption complex of fully vacuum-dehydrated fully Ag(+)-exchanged zeolite X (FAU), a = 24.865(2) A, has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd at 21 degrees C. It is very different from the ethylene complex of Ag(92)-X that had been dehydrated at 400 degrees C in flowing oxygen, as were the two dehydrated structures. The crystal was prepared by ion exchange in a flowing stream of aqueous 0.05 M AgNO(3) for 3 days, followed by dehydration at 400 degrees C and 2 x 10(-6) Torr for 2 days, followed by exposure to 300 Torr of zeolitically dry ethylene gas for 2 h at 21 degrees C. The structure was determined in this atmosphere and was refined using all data to the final error indices (based upon the 534 reflections for which F(o) > 4sigma(F(o))) R(1) = 0.062 and wR(2) = 0.135. In this structure, per unit cell, 14 Ag(+) ions were found at the octahedral site I (Ag-O = 2.611(9) A), and 32 partially reduced Ag(+) ions fill two different site I' positions deep in the sodalite cavities (Ag-O = 2.601(13) and 2.618(12) A). The sodalite cavities host two different cationic silver clusters. In about 47% of sodalite units, eight silver atoms form interpenetrating tetrahedra, Ag(8)(n+) (n = 4 is suggested), with T(d)() symmetry. The other 53% of the sodalite units host cyclo-Ag(4)(m+) (m = 2 is suggested) cations with near S(4) symmetry. These clusters are very similar to those in vacuum-dehydrated Ag(92)-X. Thirty-two Ag(+) ions fill the single 6-rings, 15 at site II' (Ag-O = 2.492(10) A), and 17 at site II (Ag-O = 2.460(9) A). The latter 17 lie in supercages where each forms a lateral pi-complex with an ethylene molecule. In turn, each C(2)H(4) molecule forms two cis electrostatic hydrogen bonds to framework oxygens. The remaining 14 Ag+ ions occupy three different II' sites. Vacuum dehydration had caused substantial decomposition: per unit cell, 30 of the 92 Ag(+) ions were reduced and 15

  8. EDITORIAL: Atomic layer deposition Atomic layer deposition

    NASA Astrophysics Data System (ADS)

    Godlewski, Marek

    2012-07-01

    The growth method of atomic layer deposition (ALD) was introduced in Finland by Suntola under the name of atomic layer epitaxy (ALE). The method was originally used for deposition of thin films of sulphides (ZnS, CaS, SrS) activated with manganese or rare-earth ions. Such films were grown for applications in thin-film electroluminescence (TFEL) displays. The ALE mode of growth was also tested in the case of molecular beam epitaxy. Films grown by ALD are commonly polycrystalline or even amorphous. Thus, the name ALE has been replaced by ALD. In the 80s ALD was developed mostly in Finland and neighboring Baltic countries. Deposition of a range of different materials was demonstrated at that time, including II-VI semiconductors (e.g. CdTe, CdS) and III-V (e.g. GaAs, GaN), with possible applications in e.g. photovoltaics. The number of publications on ALD was slowly increasing, approaching about 100 each year. A real boom in interest came with the development of deposition methods of thin films of high-k dielectrics. This research was motivated by a high leakage current in field-effect transistors with SiO2-based gate dielectrics. In 2007 Intel introduced a new generation of integrated circuits (ICs) with thin films of HfO2 used as gate isolating layers. In these and subsequent ICs, films of HfO2 are deposited by the ALD method. This is due to their unique properties. The introduction of ALD to the electronics industry led to a booming interest in the ALD growth method, with the number of publications increasing rapidly to well above 1000 each year. A number of new applications were proposed, as reflected in this special issue of Semiconductor Science and Technology. The included articles cover a wide range of possible applications—in microelectronics, transparent electronics, optoelectronics, photovoltaics and spintronics. Research papers and reviews on the basics of ALD growth are also included, reflecting a growing interest in precursor chemistry and growth

  9. Chains, bombs, potrzebies and slugs

    NASA Astrophysics Data System (ADS)

    Jewess, Mike; McDowell, Alex; Maxfield, Stephen; Hunt, A. G.; Hicks, Bruce

    2010-03-01

    I read with pleasure Robert Crease's article on unusual units (February pp17-19). However, the article stated that an acre is 10×10 chains, when it is in fact 10×1 chains. Incidentally, a distance of 10 chains (220 yards) is known as a furlong, a word that suggests the length of a ploughed furrow and that is still used in horse-racing.

  10. Magnetic properties of one-dimensional Au-Co chains on the copper(110) surface

    NASA Astrophysics Data System (ADS)

    Kolesnikov, S. V.; Tsysar, K. M.; Saletsky, A. M.

    2015-08-01

    Magnetic properties of cobalt atoms in Au-Co chains on the Cu(110) surface (such as the magnetic moment, magnetic anisotropy energy, and exchange energy) have been calculated in the framework of the density functional theory. It has been found, at zero temperature, an infinitely long Au-Co chain is in the ferromagnetic state. The magnetostatic and magnetodynamic properties of finite-length Au-Co chains at a nonzero temperature have been investigated within the Heisenberg model using the kinetic Monte Carlo method. The dependences of the Curie temperature and magnetization reversal time on the chain length have been obtained, as well as the dependences of the coercivity of the chain on the temperature, chain length, and magnetization reversal rate.

  11. Naturally occurring branched-chain polyamines induce a crosslinked meshwork structure in a giant DNA

    NASA Astrophysics Data System (ADS)

    Muramatsu, Akira; Shimizu, Yuta; Yoshikawa, Yuko; Fukuda, Wakao; Umezawa, Naoki; Horai, Yuhei; Higuchi, Tsunehiko; Fujiwara, Shinsuke; Imanaka, Tadayuki; Yoshikawa, Kenichi

    2016-12-01

    We studied the effect of branched-chain polyamines on the folding transition of genome-sized DNA molecules in aqueous solution by the use of single-molecule observation with fluorescence microcopy. Detailed morphological features of polyamine/DNA complexes were characterized by atomic force microscopy (AFM). The AFM observations indicated that branched-chain polyamines tend to induce a characteristic change in the higher-order structure of DNA by forming bridges or crosslinks between the segments of a DNA molecule. In contrast, natural linear-chain polyamines cause a parallel alignment between DNA segments. Circular dichroism measurements revealed that branched-chain polyamines induce the A-form in the secondary structure of DNA, while linear-chain polyamines have only a minimum effect. This large difference in the effects of branched- and linear-chain polyamines is discussed in relation to the difference in the manner of binding of these polyamines to negatively charged double-stranded DNA.

  12. Integrating the healthcare supply chain.

    PubMed

    Brennan, C D

    1998-01-01

    Today's integrated delivery systems (IDSs) require efficient supply chain processes to speed products to users at the lowest possible cost. Most excess costs within the supply chain are a result of inefficient and redundant processes involved in the transport and delivery of supplies from suppliers to healthcare providers. By integrating and assuming control of these supply chain processes, improving supply chain management practices, and organizing and implementing a disciplined redesign plan, IDSs can achieve substantial savings and better focus their organizations on their core patient care mission.

  13. Atomic Absorption, Atomic Fluorescence, and Flame Emission Spectrometry.

    ERIC Educational Resources Information Center

    Horlick, Gary

    1984-01-01

    This review is presented in six sections. Sections focus on literature related to: (1) developments in instrumentation, measurement techniques, and procedures; (2) performance studies of flames and electrothermal atomizers; (3) applications of atomic absorption spectrometry; (4) analytical comparisons; (5) atomic fluorescence spectrometry; and (6)…

  14. Trapping and moving metal atoms with a six-leg molecule

    NASA Astrophysics Data System (ADS)

    Gross, Leo; Rieder, Karl-Heinz; Moresco, Francesca; Stojkovic, Sladjana M.; Gourdon, André; Joachim, Christian

    2005-12-01

    Putting to work a molecule able to collect and carry adatoms in a controlled way on a surface is a solution for fabricating atomic structures atom by atom. Investigations have shown that the interaction of an organic molecule with the surface of a metal can induce surface reconstruction down to the atomic scale. In this way, well-defined nanostructures such as chains of adatoms, atomic trenches and metal-ligand compounds have been formed. Moreover, the progress in manipulation techniques induced by a scanning tunnelling microscope (STM) has opened up the possibility of studying artificially built molecular-metal atomic scale structures, and allowed the atom-by-atom doping of a single C60 molecule by picking up K atoms. The present work goes a step further and combines STM manipulation techniques with the ability of a molecule to assemble an atomic nanostructure. We present a well-designed six-leg single hexa-t-butyl-hexaphenylbenzene (HB-HPB) molecule, which collects and carries up to six copper adatoms on a Cu(111) surface when manipulated with a STM tip. The `HB-HPB-Cu atoms' complex can be further manipulated, bringing its Cu freight to a predetermined position on the surface where the metal atoms can finally be released.

  15. Electrochemical preparation of carbon chains and nanoparticles

    NASA Astrophysics Data System (ADS)

    Kavan, Ladislav

    1999-09-01

    The composite of carbon with alkali metal fluoride, C-MF(M=Li, Na) was prepared by cathodic defluorination of perfluorinated hydrocarbons at room temperature. Raman spectra of C-MF from PTFE indicate carbon chains (oligoynes, 1974-2024 cm-1) in addition to graphite-like carbon (1300-1500 cm-1). The oligoyne-containing carbon is partly selforganized by cross linking towards graphene. Highly-organized carbons were prepared from friction-deposited PTFE films. AFM confirms perfect ordering of the precursor molecules (up to atomic resolution), but the corresponding carbonization product is rapidly reconstructed upon contact to air. Raman spectra of oriented carbons display high conjugation lengths (up to 18 sp-bonded carbon atoms). Cyclic perfluorinated precursors are also smoothly defluorinated to elemental carbon. TEM indicates that these carbons contain about 1% of carbonaceous nanoparticles, i.e. nanotubes and onions. Also small quantity of fullerene C60(≈0.01%) was detected in the toluene extract.

  16. Chain Reacting System

    NASA Astrophysics Data System (ADS)

    Fermi, Enrico; Leverett, Miles C.

    This Patent focuses mainly on the description of an automatic system for the control rods in a nuclear reactor (in the present case made of natural uranium and graphite) reporting, aside from several related theoretical points (already considered in previous Patents), a detailed description of it. Since the reproduction ratio of a lattice structure is reduced by the presence of neutron absorbing impurities, such impurities can be introduced in the lattice in the form of control rods, made of a material such as boron or cadmium, which will absorb large amounts of neutrons. The control procedure is based on the fact that the depth to which the control rod penetrates into the lattice will determine the value of the neutron density in the system. This relatively simple task faces the fact that the reproduction ratio of the structure can change due to changes in temperature and pressure in the system. So, a connection of the control rods with an ionization chamber, measuring neutron density, can give an automatic control of the stability of the chain reaction. Moreover, an emergency circuit for operating the safety rods is illustrated in this Patent, and, in case of failure of both the control and emergency circuits, a third automatic circuit is depicted which causes the dump of a portion of the lattice structure for interrupting the neutron density rise. In a system of the type considered, about 92 percent of the total heat generated originates in the uranium toward the center of the lattice, about 6 percent originates in the graphite used as slowing medium, and the remaining 2 percent is generated in the structures surrounding the pile. Accordingly, the permissible power output of the reactor is limited by the rate of heat removal, so that, to prevent the accumulation of heat in the chain reaction pile, a coolant into contact with the uranium must be employed. However, the corrosive effect on uranium of the possible coolants has to be taken into account, because the

  17. Chain Dynamics in Magnetorheological Suspensions

    NASA Technical Reports Server (NTRS)

    Gast, A. P.; Furst, E. M.

    1999-01-01

    Magnetorheological (MR) suspensions are composed of colloidal particles which acquire dipole moments when subjected to an external magnetic field. At sufficient field strengths and concentrations, the dipolar particles rapidly aggregate to form long chains. Subsequent lateral cross-linking of the dipolar chains is responsible for a rapid liquid-to-solid-like rheological transition. The unique, magnetically-activated rheological properties of MR suspensions make them ideal for interfacing mechanical systems to electronic controls. Additionally, the ability to experimentally probe colloidal suspensions interacting through tunable anisotropic potentials is of fundamental interest. Our current experimental work has focused on understanding the fluctuations of dipolar chains. It has been proposed by Halsey and Toor (HT) that the strong Landau-Peierls thermal fluctuations of dipolar chains could be responsible for long-range attractions between chains. Such interactions will govern the long-time relaxation of MR suspensions. We have synthesized monodisperse neutrally buoyant MR suspensions by density matching stabilized ferrofluid emulsion droplets with D2O. This allows us to probe the dynamics of the dipolar chains using light scattering without gravitational, interfacial, and polydispersity effects to resolve the short-wavelength dynamics of the dipolar chains. We used diffusing wave spectroscopy to measure these dynamics. The particle displacements at short times that show an independence to the field strength, but at long times exhibit a constrained, sub-diffusive motion that slows as the dipole strength is increased. The experiments are in good qualitative agreement with Brownian dynamics simulations of dipolar chains. Although there have been several important and detailed studies of the structure and interactions in MR suspensions, there has not been conclusive evidence that supports or contradicts the HT model prediction that long-range interactions exist between

  18. Cavity enhanced atomic magnetometry.

    PubMed

    Crepaz, Herbert; Ley, Li Yuan; Dumke, Rainer

    2015-10-20

    Atom sensing based on Faraday rotation is an indispensable method for precision measurements, universally suitable for both hot and cold atomic systems. Here we demonstrate an all-optical magnetometer where the optical cell for Faraday rotation spectroscopy is augmented with a low finesse cavity. Unlike in previous experiments, where specifically designed multipass cells had been employed, our scheme allows to use conventional, spherical vapour cells. Spherical shaped cells have the advantage that they can be effectively coated inside with a spin relaxation suppressing layer providing long spin coherence times without addition of a buffer gas. Cavity enhancement shows in an increase in optical polarization rotation and sensitivity compared to single-pass configurations.

  19. Cavity enhanced atomic magnetometry

    PubMed Central

    Crepaz, Herbert; Ley, Li Yuan; Dumke, Rainer

    2015-01-01

    Atom sensing based on Faraday rotation is an indispensable method for precision measurements, universally suitable for both hot and cold atomic systems. Here we demonstrate an all-optical magnetometer where the optical cell for Faraday rotation spectroscopy is augmented with a low finesse cavity. Unlike in previous experiments, where specifically designed multipass cells had been employed, our scheme allows to use conventional, spherical vapour cells. Spherical shaped cells have the advantage that they can be effectively coated inside with a spin relaxation suppressing layer providing long spin coherence times without addition of a buffer gas. Cavity enhancement shows in an increase in optical polarization rotation and sensitivity compared to single-pass configurations. PMID:26481853

  20. Optical atomic clocks

    NASA Astrophysics Data System (ADS)

    Poli, N.; Oates, C. W.; Gill, P.; Tino, G. M.

    2013-12-01

    In the last ten years extraordinary results in time and frequency metrology have been demonstrated. Frequency-stabilization techniques for continuous-wave lasers and femtosecond optical frequency combs have enabled a rapid development of frequency standards based on optical transitions in ultra-cold neutral atoms and trapped ions. As a result, today's best performing atomic clocks tick at an optical rate and allow scientists to perform high-resolution measurements with a precision approaching a few parts in 1018. This paper reviews the history and the state of the art in optical-clock research and addresses the implementation of optical clocks in a possible future redefinition of the SI second as well as in tests of fundamental physics.

  1. Atom Interferometry Progress

    DTIC Science & Technology

    1990-04-19

    Casher effect . RECENT PUBLICATION Atom Optics, David W. Keith and David E. Pritchard, New frontiers in QED and Quantumoptics, (Plenum Press, New York...frequencies (< 10 Hz) where the passive system is least effective . The reduction of relative motion provided by the active system will allow us to use much...experimental objective will probably be a demonstration of Berry’s phase with bosons. Another possibility would be an improved measurement of the Aharonov

  2. High Pressure Atomization.

    DTIC Science & Technology

    1982-03-01

    water and tetradecane (factor of 10 in viscosity, 4 in surface ten- sion, 1.5 in liquid density); Pentane, hexane, and ethanol (factor of 3 surface...be of the order of centimeters and sensitive to conditions. In particular it * decreases with increasing injection pressure, gas temperature, and gas...nozzle inlet and with decreasing smaller than the jet diameter are formed. The liquid viscosity and nozzle length; divergence mechanism of Atomization

  3. Atomic emission spectroscopy

    NASA Technical Reports Server (NTRS)

    Andrew, K. H.

    1975-01-01

    The relationship between the Slater-Condon theory and the conditions within the atom as revealed by experimental data was investigated. The first spectrum of Si, Rb, Cl, Br, I, Ne, Ar, and Xe-136 and the second spectrum of As, Cu, and P were determined. Methods for assessing the phase stability of fringe counting interferometers and the design of an autoranging scanning system for digitizing the output of an infrared spectrometer and recording it on magnetic tape are described.

  4. Atomic lighthouse effect

    NASA Astrophysics Data System (ADS)

    Máximo, C. E.; Kaiser, R.; Courteille, Ph. W.; Bachelard, R.

    2014-11-01

    We investigate the deflection of light by a cold atomic cloud when the light-matter interaction is locally tuned via the Zeeman effect using magnetic field gradients. This "lighthouse" effect is strongest in the single-scattering regime, where deviation of the incident field is largest. For optically dense samples, the deviation is reduced by collective effects, as the increase in linewidth leads to a decrease of the magnetic field efficiency.

  5. Atomic lighthouse effect.

    PubMed

    Máximo, C E; Kaiser, R; Courteille, Ph W; Bachelard, R

    2014-11-01

    We investigate the deflection of light by a cold atomic cloud when the light-matter interaction is locally tuned via the Zeeman effect using magnetic field gradients. This "lighthouse" effect is strongest in the single-scattering regime, where deviation of the incident field is largest. For optically dense samples, the deviation is reduced by collective effects, as the increase in linewidth leads to a decrease in magnetic field efficiency.

  6. Strange exotic atoms

    NASA Astrophysics Data System (ADS)

    Friedman, E.

    1998-08-01

    Exotic atoms of K- and Σ- are analyzed using density-dependent optical potentials constrained by a low-density limit. Emphasis is placed on radial sensitivities of the real potential. A potential depth of 180MeV inside nuclei is confirmed for K-. For Σ- a shallow attractive potential outside the nuclear surface becomes repulsive in the interior. The information content of limited data sets is demonstrated.

  7. Atomic and molecular theory

    SciTech Connect

    Inokuti, Mitio.

    1990-01-01

    The multifaceted role of theoretical physics in understanding the earliest stages of radiation action is discussed. Scientific topics chosen for the present discourse include photoabsorption, electron collisions, and ionic collisions, and electron transport theory, Connections of atomic and molecular physics with condensed-matter physics are also discussed. The present article includes some historical perspective and an outlook for the future. 114 refs., 3 figs.

  8. Atomic Weights and Isotopic Compositions

    National Institute of Standards and Technology Data Gateway

    SRD 144 Atomic Weights and Isotopic Compositions (Web, free access)   The atomic weights are available for elements 1 through 111, and isotopic compositions or abundances are given when appropriate.

  9. Real and Hybrid Atomic Orbitals.

    ERIC Educational Resources Information Center

    Cook, D. B.; Fowler, P. W.

    1981-01-01

    Demonstrates that the Schrodinger equation for the hydrogenlike atom separates in both spheroconal and prolate spheroidal coordinates and that these separations provide a sound theoretical basis for the real and hybrid atomic orbitals. (Author/SK)

  10. Atom-Light Hybrid Interferometer

    NASA Astrophysics Data System (ADS)

    Chen, Bing; Qiu, Cheng; Chen, Shuying; Guo, Jinxian; Chen, L. Q.; Ou, Z. Y.; Zhang, Weiping

    2015-07-01

    A new type of hybrid atom-light interferometer is demonstrated with atomic Raman amplification processes replacing the beam splitting elements in a traditional interferometer. This nonconventional interferometer involves correlated optical and atomic waves in the two arms. The correlation between atoms and light developed with the Raman process makes this interferometer different from conventional interferometers with linear beam splitters. It is observed that the high-contrast interference fringes are sensitive to the optical phase via a path change as well as the atomic phase via a magnetic field change. This new atom-light correlated hybrid interferometer is a sensitive probe of the atomic internal state and should find wide applications in precision measurement and quantum control with atoms and photons.

  11. Atomic phenomena in dense plasmas

    SciTech Connect

    Weisheit, J.C.

    1981-03-01

    The following chapters are included: (1) the plasma environment, (2) perturbations of atomic structure, (3) perturbations of atomic collisions, (4) formation of spectral lines, and (5) dielectronic recombination. (MOW)

  12. Atom-Light Hybrid Interferometer.

    PubMed

    Chen, Bing; Qiu, Cheng; Chen, Shuying; Guo, Jinxian; Chen, L Q; Ou, Z Y; Zhang, Weiping

    2015-07-24

    A new type of hybrid atom-light interferometer is demonstrated with atomic Raman amplification processes replacing the beam splitting elements in a traditional interferometer. This nonconventional interferometer involves correlated optical and atomic waves in the two arms. The correlation between atoms and light developed with the Raman process makes this interferometer different from conventional interferometers with linear beam splitters. It is observed that the high-contrast interference fringes are sensitive to the optical phase via a path change as well as the atomic phase via a magnetic field change. This new atom-light correlated hybrid interferometer is a sensitive probe of the atomic internal state and should find wide applications in precision measurement and quantum control with atoms and photons.

  13. Quantum tweezer for atoms

    NASA Astrophysics Data System (ADS)

    Dudarev, Artem; Schreck, Florian; Meyrath, Todd; Hanssen, Jay; Chuu, Chih-Sung; Raizen, Mark; Niu, Qian

    2004-05-01

    We consider a quantum dot well, created by a tightly focused laser beam, placed in the center of a BEC confined in a quasi-one-dimensional configuration [1]. We show that for certain parameters it is possible to extract a single atom from a BEC by raising the depth of the well at a given rate. This is possible due to rapid decoupling of the quantum dot and BEC reservoir when the state with a single atom in the dot is just below a chemical potential of the BEC. The analysis is done for realistic experimental parameters for a ^87Rb condensate where the density is limited by three-body collisions. The realization of atomic number states should enable many applications in quantum state engineering [2]. [1] Roberto B. Diener, Biao Wu, Mark G. Raizen, and Qian Niu, Phys. Rev. Lett. 89, 070401 (2002). [2] Artem M. Dudarev, Roberto B. Diener, Biao Wu, Mark G. Raizen, Qian Niu, Phys. Rev. Lett. 91, 010402 (2003).

  14. Ghost imaging with atoms

    NASA Astrophysics Data System (ADS)

    Khakimov, R. I.; Henson, B. M.; Shin, D. K.; Hodgman, S. S.; Dall, R. G.; Baldwin, K. G. H.; Truscott, A. G.

    2016-12-01

    Ghost imaging is a counter-intuitive phenomenon—first realized in quantum optics—that enables the image of a two-dimensional object (mask) to be reconstructed using the spatio-temporal properties of a beam of particles with which it never interacts. Typically, two beams of correlated photons are used: one passes through the mask to a single-pixel (bucket) detector while the spatial profile of the other is measured by a high-resolution (multi-pixel) detector. The second beam never interacts with the mask. Neither detector can reconstruct the mask independently, but temporal cross-correlation between the two beams can be used to recover a ‘ghost’ image. Here we report the realization of ghost imaging using massive particles instead of photons. In our experiment, the two beams are formed by correlated pairs of ultracold, metastable helium atoms, which originate from s-wave scattering of two colliding Bose-Einstein condensates. We use higher-order Kapitza-Dirac scattering to generate a large number of correlated atom pairs, enabling the creation of a clear ghost image with submillimetre resolution. Future extensions of our technique could lead to the realization of ghost interference, and enable tests of Einstein-Podolsky-Rosen entanglement and Bell’s inequalities with atoms.

  15. Atomic Interferometry with the Micromaser

    NASA Astrophysics Data System (ADS)

    Raithel, G.; Benson, O.; Walther, H.

    1995-11-01

    Atomic interferences are observed in the micromaser when the inversion of the atoms leaving the cavity is measured while the cavity frequency is scanned across the atomic resonance. The interferences are due to the nonadiabatic mixing of dressed states at the entrance and exit holes of the maser cavity. The interference structures are triangular shaped and approximately equidistant. They are associated with the dynamics of the atom-field interaction, show quantum jumps, and demonstrate bistability of the micromaser field.

  16. Respiratory chain proteins.

    PubMed

    Kadenbach, B; Schneyder, B; Mell, O; Stroh, S; Reimann, A

    1991-01-01

    Mammalian mitochondrial DNA codes for 13 proteins, which are all components of energy transducing enzyme complexes of the respiratory chain, i.e. the complexes which translocate protons across the inner mitochondrial membrane. The number of subunits of these enzyme complexes increase with increasing evolutionary stage of the organism. The additional nuclear coded subunits of the enzyme complexes from higher organisms are involved in the regulation of respiration, as demonstrated by the influence of intraliposomal ATP and ADP on the reconstituted cytochrome c oxidase (COX) from bovine heart. This regulation is not found with the reconstituted enzyme from P. denitrificans, which lacks the nuclear coded subunits. Some of the nuclear coded subunits occur in tissue-specific isoforms, as reported for COX and NADH dehydrogenase. Tissue-specific regulation of COX activity is also demonstrated by the differential effects of intraliposomal ADP on the kinetics of reconstituted COX from bovine liver and heart, which differ in subunits VIa, VIIa and VIII. At least 3 different COX isozymes occur in bovine liver, heart or skeletal muscle and smooth muscle. An evolutionary relationship between COX subunits VIa and VIc and between VIIa and VIIb is suggested based on the crossreactivity of monoclonal antibodies, amino acid sequence homology and hybridization at low stringency of PCR-amplified cDNAs for subunits VIa-1, VIa-h and VIc from the rat.

  17. Noninvasive embedding of single Co atoms in Ge(111)2 × 1 surfaces

    NASA Astrophysics Data System (ADS)

    Muzychenko, D. A.; Schouteden, K.; Houssa, M.; Savinov, S. V.; Van Haesendonck, C.

    2012-03-01

    We report on a combined scanning tunneling microscopy (STM) and density functional theory (DFT) based investigation of Co atoms on Ge(111)2 × 1 surfaces. When deposited on cold surfaces, individual Co atoms have a limited diffusivity on the atomically flat areas and apparently reside on top of the upper π-bonded chain rows exclusively. Voltage-dependent STM imaging reveals a highly anisotropic electronic perturbation of the Ge surface surrounding these Co atoms and pronounced one-dimensional confinement along the π-bonded chains. DFT calculations reveal that the individual Co atoms are in fact embedded in the Ge surface, where they occupy a quasistationary position within the big 7-member Ge ring in between the third and fourth atomic Ge layer. The energy needed for the Co atoms to overcome the potential barrier for penetration in the Ge surface is provided by the kinetic energy resulting from the deposition process. DFT calculations further demonstrate that the embedded Co atoms form four covalent Co-Ge bonds, resulting in a Co4+ valence state and a 3d5 electronic configuration. Calculated STM images are in perfect agreement with the experimental atomic resolution STM images for the broad range of applied tunneling voltages.

  18. Atomic-based stabilization for laser-pumped atomic clocks.

    PubMed

    Gerginov, V; Shah, V; Knappe, S; Hollberg, L; Kitching, J

    2006-06-15

    We describe a novel technique for stabilizing frequency shifts in laser-interrogated vapor-cell atomic clocks. The method suppresses frequency shifts due to changes in the laser frequency, intensity, and modulation index as well as atomic vapor density. The clock operating parameters are monitored by using the atoms themselves, rather than by using conventional schemes for laser frequency and cell temperature control. The experiment is realized using a chip-scale atomic clock. The novel atomic-based stabilization approach results in a simpler setup and improved long-term performance.

  19. Stability of atomic clocks based on entangled atoms.

    PubMed

    André, A; Sørensen, A S; Lukin, M D

    2004-06-11

    We analyze the effect of realistic noise sources for an atomic clock consisting of a local oscillator that is actively locked to a spin-squeezed (entangled) ensemble of N atoms. We show that the use of entangled states can lead to an improvement of the long-term stability of the clock when the measurement is limited by decoherence associated with instability of the local oscillator combined with fluctuations in the atomic ensemble's Bloch vector. Atomic states with a moderate degree of entanglement yield the maximal clock stability, resulting in an improvement that scales as N(1/6) compared to the atomic shot noise level.

  20. Building an efficient supply chain.

    PubMed

    Scalise, Dagmara

    2005-08-01

    Realizing at last that supply chain management can produce efficiencies and save costs, hospitals are beginning to adopt practices from other industries, such as the concept of extended supply chains, to improve product flow. They're also investing in enterprise planning resource software, radio frequency identification and other technologies, using quality data to drive standardization and streamlining processes.

  1. Verifying the Hanging Chain Model

    ERIC Educational Resources Information Center

    Karls, Michael A.

    2013-01-01

    The wave equation with variable tension is a classic partial differential equation that can be used to describe the horizontal displacements of a vertical hanging chain with one end fixed and the other end free to move. Using a web camera and TRACKER software to record displacement data from a vibrating hanging chain, we verify a modified version…

  2. The International Atomic Energy Agency

    ERIC Educational Resources Information Center

    Dufour, Joanne

    2004-01-01

    The dropping of atomic bombs on Hiroshima and Nagasaki in World War II inaugurated a new era in world history, the atomic age. After the war, the Soviet Union, eager to develop the same military capabilities as those demonstrated by the United States, soon rivaled the U.S. as an atomic and nuclear superpower. Faced by the possibility of…

  3. Atomizer with liquid spray quenching

    DOEpatents

    Anderson, Iver E.; Osborne, Matthew G.; Terpstra, Robert L.

    1998-04-14

    Method and apparatus for making metallic powder particles wherein a metallic melt is atomized by a rotating disk or other atomizer at an atomizing location in a manner to form molten droplets moving in a direction away from said atomizing location. The atomized droplets pass through a series of thin liquid quenching sheets disposed in succession about the atomizing location with each successive quenching sheet being at an increasing distance from the atomizing location. The atomized droplets are incrementally cooled and optionally passivated as they pass through the series of liquid quenching sheets without distorting the atomized droplets from their generally spherical shape. The atomized, cooled droplets can be received in a chamber having a collection wall disposed outwardly of the series of liquid quenching sheets. A liquid quenchant can be flowed proximate the chamber wall to carry the cooled atomized droplets to a collection chamber where atomized powder particles and the liquid quenchant are separated such that the liquid quenchant can be recycled.

  4. Atomizer with liquid spray quenching

    DOEpatents

    Anderson, I.E.; Osborne, M.G.; Terpstra, R.L.

    1998-04-14

    Method and apparatus are disclosed for making metallic powder particles wherein a metallic melt is atomized by a rotating disk or other atomizer at an atomizing location in a manner to form molten droplets moving in a direction away from said atomizing location. The atomized droplets pass through a series of thin liquid quenching sheets disposed in succession about the atomizing location with each successive quenching sheet being at an increasing distance from the atomizing location. The atomized droplets are incrementally cooled and optionally passivated as they pass through the series of liquid quenching sheets without distorting the atomized droplets from their generally spherical shape. The atomized, cooled droplets can be received in a chamber having a collection wall disposed outwardly of the series of liquid quenching sheets. A liquid quenchant can be flowed proximate the chamber wall to carry the cooled atomized droplets to a collection chamber where atomized powder particles and the liquid quenchant are separated such that the liquid quenchant can be recycled. 6 figs.

  5. Current Trends in Atomic Spectroscopy.

    ERIC Educational Resources Information Center

    Wynne, James J.

    1983-01-01

    Atomic spectroscopy is the study of atoms/ions through their interaction with electromagnetic radiation, in particular, interactions in which radiation is absorbed or emitted with an internal rearrangement of the atom's electrons. Discusses nature of this field, its status and future, and how it is applied to other areas of physics. (JN)

  6. Indirect Determinations of Atomic Radii

    ERIC Educational Resources Information Center

    Walker, Noojin

    1976-01-01

    Describes laboratory activities which relate the mass, volume, density, and radii of atoms through the assumption that the smallest unit of matter is a cubic box containing one atom. From calculations based on macroscopic materials, the author feels that the concept of an atom may be better developed. (CP)

  7. Lasers, Understanding the Atom Series.

    ERIC Educational Resources Information Center

    Hellman, Hal

    This booklet is one of the booklets in the "Understanding the Atom Series" published by the U. S. Atomic Energy Commission for high school science teachers and their students. Basic information for understanding the laser is provided including discussion of the electromagnetic spectrum, radio waves, light and the atom, coherent light, controlled…

  8. Synthesis of a new element with atomic number Z=117

    SciTech Connect

    Oganessian, Yuri Ts.; Abdullin, F. Sh.; Bailey, P. D.; Benker, D. E.; Bennett, M. E.; Dmitriev, S.; Ezold, Julie G.; Hamilton, J. H.; Henderson, R.; Itkis, M. G.; Lobanov, Yu. V.; Mezentsev, A. N.; Moody, K.; Nelson, S. L.; Polyakov, A. N.; Porter, C. E.; Ramayya, A. V.; Riley, F. D.; Roberto, James B; Ryabinin, M. A.; Rykaczewski, Krzysztof Piotr; Sagaidak, R. N.; Shaughnessy, D.; Shirokovsky, I. V.; Stoyer, M.; Subbotin, V. G.; Sudowe, R.; Sukhov, A. M.; Tsyganov, Yu. S.; Utyonkov, V.; Voinov, A. A.; Vostokin, G. K.; Wilk, P. A.

    2010-01-01

    The discovery of a new chemical element with atomic number Z=117 is reported. The isotopes 293117 and 294117 were produced in fusion reactions between 48Ca and 249Bk. Decay chains involving eleven new nuclei were identified by means of the Dubna Gas Filled Recoil Separator. The measured decay properties show a strong rise of stability for heavier isotopes with Z111, validating the concept of the long sought island of enhanced stability for super-heavy nuclei.

  9. Probing starch-iodine interaction by atomic force microscopy.

    PubMed

    Du, Xiongwei; An, Hongjie; Liu, Zhongdong; Yang, Hongshun; Wei, Lijuan

    2014-01-01

    We explored the interaction of iodine with three crystalline type starches, corn, potato, and sweet potato starches using atomic force microscopy. Results revealed that starch molecules aggregated through interaction with iodine solution as well as iodine vapor. Detailed fine structures such as networks, chains, and super-helical structures were found in iodide solution tests. The nanostructures formed due to iodine adsorption could help to understand the formation and properties of the starch-iodine complex.

  10. Synthesis of a new element with atomic number Z = 117.

    PubMed

    Oganessian, Yu Ts; Abdullin, F Sh; Bailey, P D; Benker, D E; Bennett, M E; Dmitriev, S N; Ezold, J G; Hamilton, J H; Henderson, R A; Itkis, M G; Lobanov, Yu V; Mezentsev, A N; Moody, K J; Nelson, S L; Polyakov, A N; Porter, C E; Ramayya, A V; Riley, F D; Roberto, J B; Ryabinin, M A; Rykaczewski, K P; Sagaidak, R N; Shaughnessy, D A; Shirokovsky, I V; Stoyer, M A; Subbotin, V G; Sudowe, R; Sukhov, A M; Tsyganov, Yu S; Utyonkov, V K; Voinov, A A; Vostokin, G K; Wilk, P A

    2010-04-09

    The discovery of a new chemical element with atomic number Z=117 is reported. The isotopes (293)117 and (294)117 were produced in fusion reactions between (48)Ca and (249)Bk. Decay chains involving 11 new nuclei were identified by means of the Dubna gas-filled recoil separator. The measured decay properties show a strong rise of stability for heavier isotopes with Z > or = 111, validating the concept of the long sought island of enhanced stability for superheavy nuclei.

  11. Developing sustainable food supply chains.

    PubMed

    Smith, B Gail

    2008-02-27

    This paper reviews the opportunities available for food businesses to encourage consumers to eat healthier and more nutritious diets, to invest in more sustainable manufacturing and distribution systems and to develop procurement systems based on more sustainable forms of agriculture. The important factors in developing more sustainable supply chains are identified as the type of supply chain involved and the individual business attitude to extending responsibility for product quality into social and environmental performance within their own supply chains. Interpersonal trust and working to standards are both important to build more sustainable local and many conserved food supply chains, but inadequate to transform mainstream agriculture and raw material supplies to the manufactured and commodity food markets. Cooperation among food manufacturers, retailers, NGOs, governmental and farmers' organizations is vital in order to raise standards for some supply chains and to enable farmers to adopt more sustainable agricultural practices.

  12. Mixed valence character of anionic linear beryllium chains: a CAS-SCF and MR-CI study.

    PubMed

    Pastore, Mariachiara; Monari, Antonio; Evangelisti, Stefano; Leininger, Thierry

    2009-12-31

    A theoretical investigation on the mixed valence behavior, or bistability, of a series of anionic linear chains composed of beryllium atoms is presented. Calculations on Be(N)- (with N = 7, ..., 13) were performed at CAS-SCF and MR-CI levels by using an ANO basis set containing 6s4p3d2f contracted orbitals for each atom. Our results show a consistent gradual shift between different classes of mixed valence compounds as the number of beryllium atoms increases, from strong coupling (class III) toward valence-trapped (class II). Indeed, in the largest cases (N > 10), the anionic chains were found to become asymptotically closer to class I, where the coupling vanishes. The intramolecular electron-transfer parameters V(ab), E(barr), and E(opt) were calculated for each atomic chain. It is shown that the decrease of V(ab) with increasing N follows an exponential pattern.

  13. Spin currents and filtering behavior in zigzag graphene nanoribbons with adsorbed molybdenum chains

    NASA Astrophysics Data System (ADS)

    García-Fuente, A.; Gallego, L. J.; Vega, A.

    2015-04-01

    By means of density-functional-theoretic calculations, we investigated the structural, electronic and transport properties of hydrogen-passivated zigzag graphene nanoribbons (ZGNRs) on which a one-atom-thick Mo chain was adsorbed (with or without one or two missing atoms), or in which the passivating hydrogen atoms were replaced by Mo atoms. Mo-passivated ZGNRs proved to be nonmagnetic. ZGNRs with an adsorbed defect-free Mo chain were most stable with the Mo atoms forming dimers above edge bay sites, which suppressed the magnetic moments of the C atoms in that half of the ribbon; around the Fermi level of these systems, each spin component had a transmission channel via the Mo spz band and one had an additional channel created by polarization of the ZGNR π* band, leading to a net spin current. The absence of an Mo dimer from an Mo chain adsorbed at the ZGNR edge made the system a perfect spin filter at low voltage bias by suppressing the Mo spz band channels. Thus this last kind of hybrid system is a potential spin valve.

  14. Chain conformational and physicochemical properties of fucoidans from sea cucumber.

    PubMed

    Xu, Xiaoqi; Xue, Changhu; Chang, Yaoguang; Wang, Jun; Jiang, Kunhao

    2016-11-05

    Although fucoidans from sea cucumber (SC-FUCs) have been proven as potential bioactive polysaccharides and functional food ingridents, their chain conformation and physicochemical properties were still poorly understood. This study investigated the chain conformation of fucoidans from sea cucumber Acaudina molpadioides (Am-FUC), Isostichopus badionotus (Ib-FUC) and Apostichopus japonicus (Aj-FUC), of which primary structure has been recently clarified. Chain conformation parameters demonstrated that studied SC-FUCs adopted random coil conformation in 150mM NaCl solution (pH 7.4). Based on the worm-like cylinder model and atomic force microscopy, the chain stiffness of SC-FUCs was further evaluated as Am-FUC≈Ib-FUC>Aj-FUC. It was suggested that the existence of branch structure increased the chain flexibility, while sulfated pattern exerted limited influence. SC-FUCs demonstrated shear-thinning rheological behavior and negative charge. Am-FUC possessed a higher thermostability than Ib-FUC and Aj-FUC. These results have important implications for understanding the molecular characteristics of SC-FUCs, which could facilitate their further application.

  15. Atomically resolved force microscopy at room temperature

    SciTech Connect

    Morita, Seizo

    2014-04-24

    Atomic force microscopy (AFM) can now not only image individual atoms but also construct atom letters using atom manipulation method even at room temperature (RT). Therefore, the AFM is the second generation atomic tool following the scanning tunneling microscopy (STM). However the AFM can image even insulating atoms, and also directly measure/map the atomic force and potential at the atomic scale. Noting these advantages, we have been developing a bottom-up nanostructuring system at RT based on the AFM. It can identify chemical species of individual atoms and then manipulate selected atom species to the predesigned site one-by-one to assemble complex nanostructures consisted of multi atom species at RT. Here we introduce our results toward atom-by-atom assembly of composite nanostructures based on the AFM at RT including the latest result on atom gating of nano-space for atom-by-atom creation of atom clusters at RT for semiconductor surfaces.

  16. Two-step spin conversion and other effects in the atom-phonon coupling model

    NASA Astrophysics Data System (ADS)

    Nasser, J. A.; Boukheddaden, K.; Linares, J.

    2004-05-01

    We study an atom-phonon coupling model introduced recently for spin-conversion phenomenon. The originality of this model, performed on a linear chain of atoms, is that the elastic force constant values of the spring linking two atoms depends on their electronic states. This leads to introduce naturally in the chain long- and short-range interactions, which appear respectively like a Zeeman and an exchange interactions. The exchange-like interaction can be ferro-, antiferro- or equal to zero. The effects of long-range interactions have already been studied. Here we study those of the short-range interaction. Some parts of the chain phase diagram are analysed and the main features of the experimental behaviours of spin conversion compounds are qualitatively reproduced.

  17. Cancer in atomic bomb survivors

    SciTech Connect

    Shigematsu, I.; Kagan, A.

    1986-01-01

    This book presents information on the following topics: sampling of atomic bomb survivors and method of cancer detection in Hiroshima and Nagasaki; atomic bomb dosimetry for epidemiological studies of survivors in Hiroshima and Nagasaki; tumor and tissue registries in Hiroshima and Nagasaki; the cancer registry in Nagasaki, with atomic bomb survivor data, 1973-1977; cancer mortality; methods for study of delayed health effects of a-bomb radiation; experimental radiation carcinogenesis in rodents; leukemia, multiple myeloma, and malignant lymphoma; cancer of the thyroid and salivary glands; malignant tumors in atomic bomb survivors with special reference to the pathology of stomach and lung cancer; colorectal cancer among atomic bomb survivors; breast cancer in atomic bomb survivors; and ovarian neoplasms in atomic bomb survirors.

  18. Generalizing Atoms in Constraint Logic

    NASA Technical Reports Server (NTRS)

    Page, C. David, Jr.; Frisch, Alan M.

    1991-01-01

    This paper studies the generalization of atomic formulas, or atoms, that are augmented with constraints on or among their terms. The atoms may also be viewed as definite clauses whose antecedents express the constraints. Atoms are generalized relative to a body of background information about the constraints. This paper first examines generalization of atoms with only monadic constraints. The paper develops an algorithm for the generalization task and discusses algorithm complexity. It then extends the algorithm to apply to atoms with constraints of arbitrary arity. The paper also presents semantic properties of the generalizations computed by the algorithms, making the algorithms applicable to such problems as abduction, induction, and knowledge base verification. The paper emphasizes the application to induction and presents a pac-learning result for constrained atoms.

  19. Heat transport through atomic contacts.

    PubMed

    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.

  20. The coupled atom transistor

    NASA Astrophysics Data System (ADS)

    Jehl, X.; Voisin, B.; Roche, B.; Dupont-Ferrier, E.; De Franceschi, S.; Sanquer, M.; Cobian, M.; Niquet, Y.-M.; Sklénard, B.; Cueto, O.; Wacquez, R.; Vinet, M.

    2015-04-01

    We describe the first implementation of a coupled atom transistor where two shallow donors (P or As) are implanted in a nanoscale silicon nanowire and their electronic levels are controlled with three gate voltages. Transport spectroscopy through these donors placed in series is performed both at zero and microwave frequencies. The coherence of the charge transfer between the two donors is probed by Landau-Zener-Stückelberg interferometry. Single-charge transfer at zero bias (electron pumping) has been performed and the crossover between the adiabatic and non-adiabatic regimes is studied.

  1. Atomization and mixing study

    NASA Technical Reports Server (NTRS)

    Ferrenberg, A.; Jaqua, V. W.

    1983-01-01

    The state of the art in atomization and mixing for triplet, pentad, and coaxial injectors is described. Injectors that are applicable for LOX/hydrocarbon propellants and main chamber and fuel rich preburner/gas generator mixture ratios are of special interest. Various applicable correlating equations and parameters as well as test data found in the literature are presented. The validity, utility, and important aspects of these data and correlations are discussed and the measurement techniques used are evaluated. Propellant mixing tests performed are described and summarized, results are reported, and tentative conclusions are included.

  2. Atomic data for fusion

    SciTech Connect

    Hunter, H.T.; Kirkpatrick, M.I.; Alvarez, I.; Cisneros, C.; Phaneuf, R.A.; Barnett, C.F.

    1990-07-01

    This report provides a handbook of recommended cross-section and rate-coefficient data for inelastic collisions between hydrogen, helium and lithium atoms, molecules and ions, and encompasses more than 400 different reactions of primary interest in fusion research. Published experimental and theoretical data have been collected and evaluated, and the recommended data are presented in tabular, graphical and parametrized form. Processes include excitation and spectral line emission, charge exchange, ionization, stripping, dissociation and particle interchange reactions. The range of collision energies is appropriate to applications in fusion-energy research.

  3. Ultraviolet atomic emission detector

    NASA Technical Reports Server (NTRS)

    Braun, W.; Peterson, N. C.; Bass, A. M.; Kurylo, M. J., III (Inventor)

    1972-01-01

    A device and method are provided for performing qualitative and quantitative elemental analysis through the utilization of a vacuum UV chromatographic detector. The method involves the use of a carrier gas at low pressure. The gas carries a sample to a gas chromatograph column; the column output is directed to a microwave cavity. In this cavity, a low pressure microwave discharge produces fragmentation of the compounds present and generates intense atomic emissions in the vacuum ultraviolet. These emissions are isolated by a monochromator and measured by photometer to establish absolute concentration for the elements.

  4. Chameleon induced atomic afterglow

    SciTech Connect

    Brax, Philippe; Burrage, Clare

    2010-11-01

    The chameleon is a scalar field whose mass depends on the density of its environment. Chameleons are necessarily coupled to matter particles and will excite transitions between atomic energy levels in an analogous manner to photons. When created inside an optical cavity by passing a laser beam through a constant magnetic field, chameleons are trapped between the cavity walls and form a standing wave. This effect will lead to an afterglow phenomenon even when the laser beam and the magnetic field have been turned off, and could be used to probe the interactions of the chameleon field with matter.

  5. Stability of vertical magnetic chains

    PubMed Central

    2017-01-01

    A linear stability analysis is performed for a pair of coaxial vertical chains made from permanently magnetized balls under the influence of gravity. While one chain rises from the ground, the other hangs from above, with the remaining ends separated by a gap of prescribed length. Various boundary conditions are considered, as are situations in which the magnetic dipole moments in the two chains are parallel or antiparallel. The case of a single chain attached to the ground is also discussed. The stability of the system is examined with respect to three quantities: the number of balls in each chain, the length of the gap between the chains, and a single dimensionless parameter which embodies the competition between magnetic and gravitational forces. Asymptotic scaling laws involving these parameters are provided. The Hessian matrix is computed in exact form, allowing the critical parameter values at which the system loses stability and the respective eigenmodes to be determined up to machine precision. A comparison with simple experiments for a single chain attached to the ground shows good agreement. PMID:28293135

  6. Stability of vertical magnetic chains

    NASA Astrophysics Data System (ADS)

    Schönke, Johannes; Fried, Eliot

    2017-02-01

    A linear stability analysis is performed for a pair of coaxial vertical chains made from permanently magnetized balls under the influence of gravity. While one chain rises from the ground, the other hangs from above, with the remaining ends separated by a gap of prescribed length. Various boundary conditions are considered, as are situations in which the magnetic dipole moments in the two chains are parallel or antiparallel. The case of a single chain attached to the ground is also discussed. The stability of the system is examined with respect to three quantities: the number of balls in each chain, the length of the gap between the chains, and a single dimensionless parameter which embodies the competition between magnetic and gravitational forces. Asymptotic scaling laws involving these parameters are provided. The Hessian matrix is computed in exact form, allowing the critical parameter values at which the system loses stability and the respective eigenmodes to be determined up to machine precision. A comparison with simple experiments for a single chain attached to the ground shows good agreement.

  7. Plasmon confinement in atomically thin and flat metallic films

    NASA Astrophysics Data System (ADS)

    Nagao, T.; Yaginuma, S.; Liu, C.; Inaoka, T.; Nazarov, V. U.; Nakayama, T.; Aono, M.

    2007-09-01

    We report on the direct measurement of dispersion relations of plasmons confined in atomically thin metal films and wires by electron energy loss spectroscopy in wide energy-momentum range. Ultrathin Ag films are prepared on single crystal Si surfaces by molecular beam epitaxy, and its crystallinity is checked by electron diffraction. For the case of multi-atomic-layer Ag films, two plasmon modes are observed at around 3.9 eV and 1.8 eV which are localized at the top and the bottom surfaces of the films, respectively. For the case of Ag monoatomic layer, a single mode is observed that steeply disperses in the mid-infrared range. Nonlocal and quantum effects are found to be essential in understanding its full plasmon dispersion curve up to the critical wave number of Landau damping. For the case of Au atom chains, an anisotropic sound-wave-like plasmon dispersion is found that clearly shows 1D plasmon confinement in each atom chain.

  8. Imaging atoms from resonance fluorescence spectrum beyond the diffraction limit

    NASA Astrophysics Data System (ADS)

    Liao, Zeyang; Al-Amri, Mohammad; Zubairy, M. Suhail

    2014-03-01

    We calculate the resonance fluorescence spectrum of a linear chain of two-level atoms driven by a gradient coherent laser field. The result shows that we can determine the positions of atoms from the spectrum even when the atoms locate within subwavelength range and the dipole-dipole interaction is significant. This far-field resonance fluorescence localization microscopy method does not require point-by-point scanning and it may be more time-efficient. We also give a possible scheme to extract the position information in an extended region without requiring more peak power of laser. We also briefly discuss how to do a 2D imaging based on our scheme. This work is supported by grants from the King Abdulaziz City for Science and Technology (KACST) and the Qatar National Research Fund (QNRF) under the NPRP project.

  9. An overview of heavy-atom derivatization of protein crystals

    PubMed Central

    Pike, Ashley C. W.; Garman, Elspeth F.; Krojer, Tobias; von Delft, Frank; Carpenter, Elisabeth P.

    2016-01-01

    Heavy-atom derivatization is one of the oldest techniques for obtaining phase information for protein crystals and, although it is no longer the first choice, it remains a useful technique for obtaining phases for unknown structures and for low-resolution data sets. It is also valuable for confirming the chain trace in low-resolution electron-density maps. This overview provides a summary of the technique and is aimed at first-time users of the method. It includes guidelines on when to use it, which heavy atoms are most likely to work, how to prepare heavy-atom solutions, how to derivatize crystals and how to determine whether a crystal is in fact a derivative. PMID:26960118

  10. Charge relaxation resistance at atomic scale: An ab initio calculation

    NASA Astrophysics Data System (ADS)

    Wang, Bin; Wang, Jian

    2008-06-01

    We report an investigation of ac quantum transport properties of a nanocapacitor from first principles. At low frequencies, the nanocapacitor is characterized by a static electrochemical capacitance Cμ and the charge relaxation resistance Rq . We carry out a first principle calculation within the nonequilibrium Green’s function formalism. In particular, we investigate charge relaxation resistance of a single carbon atom as well as two carbon atoms in a nanocapacitor made of a capped carbon nanotube (CNT) and an alkane chain connected to a bulk Si. The nature of charge relaxation resistance is predicted for this nanocapacitor. Specifically, we find that the charge relaxation resistance shows resonant behavior and it becomes sharper as the distance between plates of nanocapacitor increases. If there is only one transmission channel dominating the charge transport through the nanocapacitor, the charge relaxation resistance Rq is half of resistance quantum h/2e2 . This result shows that the theory of charge relaxation resistance applies at atomic scale.

  11. Atomic structure and electronic properties of the two-dimensional (Au ,Al )/Si (111 )2 ×2 compound

    NASA Astrophysics Data System (ADS)

    Gruznev, D. V.; Bondarenko, L. V.; Matetskiy, A. V.; Tupchaya, A. Y.; Chukurov, E. N.; Hsing, C. R.; Wei, C. M.; Eremeev, S. V.; Zotov, A. V.; Saranin, A. A.

    2015-12-01

    A combination of scanning tunneling microscopy, angle-resolved photoelectron spectroscopy, ab initio random structure searching, and density functional theory electronic structure calculations was applied to elucidate the atomic arrangement and electron band structure of the (Au ,Al )/Si (111 )2 ×2 two-dimensional compound formed upon Al deposition onto the mixed 5 ×2 /√{3 }×√{3 } Au/Si(111) surface. It was found that the most stable 2 ×2 -(Au, Al) compound incorporates four Au atoms, three Al atoms, and two Si atoms per 2 ×2 unit cell. Its atomic arrangement can be visualized as an array of meandering Au atomic chains with two-thirds of the Al atoms incorporated into the chains and one-third of the Al atoms interconnecting the chains. The compound is metallic and its electronic properties can be controlled by appropriate Al dosing since energetic location of the bands varies by ˜0.5 eV during increasing of Al contents. The 2 ×2 -(Au, Al) structure appears to be lacking the C3 v symmetry typical for the hexagonal lattices. The consequence of the peculiar atomic structure of the two-dimensional alloy is spin splitting of the metallic states, which should lead to anisotropy of the current-induced in-plane spin polarization.

  12. How to maintain chain drives

    SciTech Connect

    Wright, J.L. )

    1992-06-18

    Properly selected and maintained chain drives can be expected to give thousands of hours of reliable service. Selection is usually done just once. This paper reports on good maintenance which must be done regularly to keep the drive operating. An effective maintenance program for roller chain should include correct type and adequate amounts of lubrication, replacement of worn chains and sprockets, and elimination of drive interferences. It is important to set u a lubrication and inspection/correction schedule to ensure that all required maintenance is carried out.

  13. Spatially Resolved Detection of a Spin-Entanglement Wave in a Bose-Hubbard Chain.

    PubMed

    Fukuhara, Takeshi; Hild, Sebastian; Zeiher, Johannes; Schauß, Peter; Bloch, Immanuel; Endres, Manuel; Gross, Christian

    2015-07-17

    Entanglement is an essential property of quantum many-body systems. However, its local detection is challenging and was so far limited to spin degrees of freedom in ion chains. Here we measure entanglement between the spins of atoms located on two lattice sites in a one-dimensional Bose-Hubbard chain which features both local spin- and particle-number fluctuations. Starting with an initially localized spin impurity, we observe an outwards propagating entanglement wave and show quantitatively how entanglement in the spin sector rapidly decreases with increasing particle-number fluctuations in the chain.

  14. Neuromorphic Atomic Switch Networks

    PubMed Central

    Martin-Olmos, Cristina; Shieh, Hsien Hang; Aono, Masakazu; Stieg, Adam Z.; Gimzewski, James K.

    2012-01-01

    Efforts to emulate the formidable information processing capabilities of the brain through neuromorphic engineering have been bolstered by recent progress in the fabrication of nonlinear, nanoscale circuit elements that exhibit synapse-like operational characteristics. However, conventional fabrication techniques are unable to efficiently generate structures with the highly complex interconnectivity found in biological neuronal networks. Here we demonstrate the physical realization of a self-assembled neuromorphic device which implements basic concepts of systems neuroscience through a hardware-based platform comprised of over a billion interconnected atomic-switch inorganic synapses embedded in a complex network of silver nanowires. Observations of network activation and passive harmonic generation demonstrate a collective response to input stimulus in agreement with recent theoretical predictions. Further, emergent behaviors unique to the complex network of atomic switches and akin to brain function are observed, namely spatially distributed memory, recurrent dynamics and the activation of feedforward subnetworks. These devices display the functional characteristics required for implementing unconventional, biologically and neurally inspired computational methodologies in a synthetic experimental system. PMID:22880101

  15. Neuromorphic atomic switch networks.

    PubMed

    Avizienis, Audrius V; Sillin, Henry O; Martin-Olmos, Cristina; Shieh, Hsien Hang; Aono, Masakazu; Stieg, Adam Z; Gimzewski, James K

    2012-01-01

    Efforts to emulate the formidable information processing capabilities of the brain through neuromorphic engineering have been bolstered by recent progress in the fabrication of nonlinear, nanoscale circuit elements that exhibit synapse-like operational characteristics. However, conventional fabrication techniques are unable to efficiently generate structures with the highly complex interconnectivity found in biological neuronal networks. Here we demonstrate the physical realization of a self-assembled neuromorphic device which implements basic concepts of systems neuroscience through a hardware-based platform comprised of over a billion interconnected atomic-switch inorganic synapses embedded in a complex network of silver nanowires. Observations of network activation and passive harmonic generation demonstrate a collective response to input stimulus in agreement with recent theoretical predictions. Further, emergent behaviors unique to the complex network of atomic switches and akin to brain function are observed, namely spatially distributed memory, recurrent dynamics and the activation of feedforward subnetworks. These devices display the functional characteristics required for implementing unconventional, biologically and neurally inspired computational methodologies in a synthetic experimental system.

  16. Mapping out atom-wall interaction with atomic clocks.

    PubMed

    Derevianko, A; Obreshkov, B; Dzuba, V A

    2009-09-25

    We explore the feasibility of probing atom-wall interaction with atomic clocks based on atoms trapped in engineered optical lattices. Optical lattice is normal to the wall. By monitoring the wall-induced clock shift at individual wells of the lattice, one would measure the dependence of the atom-wall interaction on the atom-wall separation. We find that the induced clock shifts are large and observable at already experimentally demonstrated levels of accuracy. We show that this scheme may uniquely probe the long-range atom-wall interaction in all three qualitatively distinct regimes of the interaction: van der Waals (image-charge interaction), Casimir-Polder (QED vacuum fluctuations), and Lifshitz (thermal-bath fluctuations) regimes.

  17. Mapping Out Atom-Wall Interaction with Atomic Clocks

    SciTech Connect

    Derevianko, A.; Obreshkov, B.; Dzuba, V. A.

    2009-09-25

    We explore the feasibility of probing atom-wall interaction with atomic clocks based on atoms trapped in engineered optical lattices. Optical lattice is normal to the wall. By monitoring the wall-induced clock shift at individual wells of the lattice, one would measure the dependence of the atom-wall interaction on the atom-wall separation. We find that the induced clock shifts are large and observable at already experimentally demonstrated levels of accuracy. We show that this scheme may uniquely probe the long-range atom-wall interaction in all three qualitatively distinct regimes of the interaction: van der Waals (image-charge interaction), Casimir-Polder (QED vacuum fluctuations), and Lifshitz (thermal-bath fluctuations) regimes.

  18. Electronic properties of Fibonacci and random Si-Ge chains.

    PubMed

    Vasconcelos, M S; Azevedo, David L; Hadad, A; Galvão, D S

    2011-10-12

    In this paper we address a theoretical calculation of the electronic spectra of an Si-Ge atomic chain that is arranged in a Fibonacci quasi-periodic sequence, by using a semi-empirical quantum method based on the Hückel extended model. We apply the Fibonacci substitutional sequences in the atomic building blocks A(Si) and B(Ge) through the inflation rule or a recursion relation. In our ab initio calculations we use only a single point, which is sufficient for considering all the orbitals and charge distribution across the entire system. Although the calculations presented here are more complete than the models adopted in the literature which take into account the electronic interaction only up to the second and third neighbors, an interesting property remains in their electronic spectra: the fractality (which is the main signature of this kind of system). We discuss this fractality of the spectra and we compare them with the random arrangement of the Si-Ge atomic chain, and with previous results based on the tight-binding approximation of the Schrödinger equation considering up to the nearest neighbor.

  19. Atom-by-atom assembly of defect-free one-dimensional cold atom arrays

    NASA Astrophysics Data System (ADS)

    Endres, Manuel; Bernien, Hannes; Keesling, Alexander; Levine, Harry; Anschuetz, Eric R.; Krajenbrink, Alexandre; Senko, Crystal; Vuletic, Vladan; Greiner, Markus; Lukin, Mikhail D.

    2016-11-01

    The realization of large-scale fully controllable quantum systems is an exciting frontier in modern physical science. We use atom-by-atom assembly to implement a platform for the deterministic preparation of regular one-dimensional arrays of individually controlled cold atoms. In our approach, a measurement and feedback procedure eliminates the entropy associated with probabilistic trap occupation and results in defect-free arrays of more than 50 atoms in less than 400 milliseconds. The technique is based on fast, real-time control of 100 optical tweezers, which we use to arrange atoms in desired geometric patterns and to maintain these configurations by replacing lost atoms with surplus atoms from a reservoir. This bottom-up approach may enable controlled engineering of scalable many-body systems for quantum information processing, quantum simulations, and precision measurements.

  20. Simulations of Edge Effect in 1D Spin Crossover Compounds by Atom-Phonon Coupling Model

    NASA Astrophysics Data System (ADS)

    Linares, J.; Chiruta, D.; Jureschi, C. M.; Alayli, Y.; Turcu, C. O.; Dahoo, P. R.

    2016-08-01

    We used the atom-phonon coupling model to explain and illustrate the behaviour of a linear nano-chain of molecules. The analysis of the system's behaviour was performed using Free Energy method, and by applying Monte Carlo Metropolis (MCM) method which take into account the phonon contribution. In particular we tested both the MCM algorithm and the dynamic-matrix method and we expose how the thermal behaviour of a 1D spin crossover system varies as a function of different factors. Furthermore we blocked the edge atoms of the chain in its high spin state to study the effect on the system's behaviour.

  1. A kilobyte rewritable atomic memory

    NASA Astrophysics Data System (ADS)

    Kalff, F. E.; Rebergen, M. P.; Fahrenfort, E.; Girovsky, J.; Toskovic, R.; Lado, J. L.; Fernández-Rossier, J.; Otte, A. F.

    2016-11-01

    The advent of devices based on single dopants, such as the single-atom transistor, the single-spin magnetometer and the single-atom memory, has motivated the quest for strategies that permit the control of matter with atomic precision. Manipulation of individual atoms by low-temperature scanning tunnelling microscopy provides ways to store data in atoms, encoded either into their charge state, magnetization state or lattice position. A clear challenge now is the controlled integration of these individual functional atoms into extended, scalable atomic circuits. Here, we present a robust digital atomic-scale memory of up to 1 kilobyte (8,000 bits) using an array of individual surface vacancies in a chlorine-terminated Cu(100) surface. The memory can be read and rewritten automatically by means of atomic-scale markers and offers an areal density of 502 terabits per square inch, outperforming state-of-the-art hard disk drives by three orders of magnitude. Furthermore, the chlorine vacancies are found to be stable at temperatures up to 77 K, offering the potential for expanding large-scale atomic assembly towards ambient conditions.

  2. KAULAKYS: Inelastic collisions between hydrogen atoms and Rydberg atoms

    NASA Astrophysics Data System (ADS)

    Barklem, Paul S.

    2017-01-01

    KAULAKYS calculates cross sections and rate coefficients for inelastic collisions between Rydberg atoms and hydrogen atoms according to the free electron model of Kaulakys (1986, 1991). It is written in IDL and requires the code MSWAVEF (ascl:1701.006) to calculate momentum-space wavefunctions. KAULAKYS can be easily adapted to collisions with perturbers other than hydrogen atoms by providing the appropriate scattering amplitudes.

  3. Can Atomic Force Microscopy Achieve Atomic Resolution in Contact Mode?

    NASA Astrophysics Data System (ADS)

    Jarvis, M. R.; Pérez, Rubén; Payne, M. C.

    2001-02-01

    Atomic force microscopy operating in the contact mode is studied using total-energy pseudopotential calculations. It is shown that, in the case of a diamond tip and a diamond surface, it is possible for a tip terminated by a single atom to sustain forces in excess of 30 nN. It is also shown that imaging at atomic resolution may be limited by blunting of the tip during lateral scanning.

  4. Tetrahedral-atom 3-ring groupings in one-dimensional inorganic chains: Be2AsO4OH-4H2O and Na2ZnPO4OH-7H2O. Technical report, 1 June 1992-31 May 1993

    SciTech Connect

    Harrison, W.T.; Nenoff, T.M.; Gier, T.E.; Stucky, G.D.

    1993-02-15

    The zeolitic MXO4-based framework (M = Zn, Be, X = P, As) structure field has recently been shown to be a very extensive one by ourselves and others. A seemingly general feature of these new zeolitic (Zn/Be,P/As,O)-framework phases is a preference for a 1:1 M to X ratio and strict alternation of MO4 and XO4 tetrahedra, akin to a Lowenstein's rule Al-O-Al avoidance and consequent Si/Al Tetrahedral alternation for 1:1 Si to Al ratio aluminosilicate phases. This feature would appear to militate against Zn/Be,P/As,O molecular sieves with odd- as opposed to even-membered ring systems, and also against phases whose M:X ratio is non-unity. The authors describe the preparations, structures and properties of two new phases; a zincophosphate, Na2ZnPO4OH(dot)7H2O (NaZnPO), and a berylloarsenate, Be2AsO4OH(dot)4H2O (BeAsO), which are non-zeolitic, but contain 1-dimensional chains, whose building blocks include tetrahedral 3-rings.

  5. Cl atom initiated oxidation of 1-alkenes under atmospheric conditions

    NASA Astrophysics Data System (ADS)

    Walavalkar, M.; Sharma, A.; Alwe, H. D.; Pushpa, K. K.; Dhanya, S.; Naik, P. D.; Bajaj, P. N.

    2013-03-01

    In view of the importance of the oxidation pathways of alkenes in the troposphere, and the significance of Cl atom as an oxidant in marine boundary layer (MBL) and polluted industrial atmosphere, the reactions of four 1-alkenes (C6-C9) with Cl atoms are investigated. The rate coefficients at 298 K are measured to be (4.0 ± 0.5), (4.4 ± 0.7), (5.5 ± 0.9) and (5.9 ± 1.7) × 10-10 cm3 molecule-1 s-1 for 1-hexene, 1-heptene, 1-octene and 1-nonene, respectively. The quoted errors include the experimental 2σ, along with the error in the reference rate coefficients. From the systematic increase in the rate coefficients with the number of carbon atoms, an approximate value for the average rate coefficient for hydrogen abstraction per CH2 group in alkenes is estimated to be (4.9 ± 0.3) × 10-11 cm3 molecule-1 s-1. Based on these rate coefficients, the contribution of Cl atom reactions towards the degradation of these molecules is found to be comparable to that of OH radical reactions, under MBL conditions. The products identified in gas phase indicate that Cl atom addition occurs mainly at the terminal carbon, leading to the formation of 1-chloro-2-ketones and 1-chloro-2-ols. The major gas phase products from the alkenyl radicals (formed by H atom abstraction) are different positional isomers of long chain enols and enones. A preference for dissociation leading to an allyl radical, resulting in aldehydes, lower by three carbon atoms, is indicated. The observed relative yields suggest that in general, the increased contribution of the reactions of Cl atoms towards degradation of 1-alkenes in NOx free air does not result in an increase in the generation of small aldehydes (carbon number < 4), including chloroethanal, as compared to that in the reaction of 1-butene.

  6. Markov Chains and Chemical Processes

    ERIC Educational Resources Information Center

    Miller, P. J.

    1972-01-01

    Views as important the relating of abstract ideas of modern mathematics now being taught in the schools to situations encountered in the sciences. Describes use of matrices and Markov chains to study first-order processes. (Author/DF)

  7. Trapped-atom interferometer with ultracold Sr atoms

    NASA Astrophysics Data System (ADS)

    Zhang, Xian; del Aguila, Ruben Pablo; Mazzoni, Tommaso; Poli, Nicola; Tino, Guglielmo M.

    2016-10-01

    We report on a trapped atom interferometer based on Bragg diffraction and Bloch oscillations with alkaline-earth-metal atoms. We use a Ramsey-Bordé Bragg interferometer with 88Sr atoms combined with Bloch oscillations to extend the interferometer time. Thanks to a long coherence time for Bloch oscillations of 88Sr atoms, we observed interference up to 1 s evolution time in the lattice. A detailed study of decoherence sources during the Bloch phase is also presented. While still limited in sensitivity by lattice lifetime and beam inhomogeneity this result opens the way to high contrast trapped interferometers with extended interrogation time.

  8. Efficient atomic clocks operated with several atomic ensembles.

    PubMed

    Borregaard, J; Sørensen, A S

    2013-08-30

    Atomic clocks are typically operated by locking a local oscillator (LO) to a single atomic ensemble. In this Letter, we propose a scheme where the LO is locked to several atomic ensembles instead of one. This results in an exponential improvement compared to the conventional method and provides a stability of the clock scaling as (αN)(-m/2) with N being the number of atoms in each of the m ensembles and α a constant depending on the protocol being used to lock the LO.

  9. Can atom-surface potential measurements test atomic structure models?

    PubMed

    Lonij, Vincent P A; Klauss, Catherine E; Holmgren, William F; Cronin, Alexander D

    2011-06-30

    van der Waals (vdW) atom-surface potentials can be excellent benchmarks for atomic structure calculations. This is especially true if measurements are made with two different types of atoms interacting with the same surface sample. Here we show theoretically how ratios of vdW potential strengths (e.g., C₃(K)/C₃(Na)) depend sensitively on the properties of each atom, yet these ratios are relatively insensitive to properties of the surface. We discuss how C₃ ratios depend on atomic core electrons by using a two-oscillator model to represent the contribution from atomic valence electrons and core electrons separately. We explain why certain pairs of atoms are preferable to study for future experimental tests of atomic structure calculations. A well chosen pair of atoms (e.g., K and Na) will have a C₃ ratio that is insensitive to the permittivity of the surface, whereas a poorly chosen pair (e.g., K and He) will have a ratio of C₃ values that depends more strongly on the permittivity of the surface.

  10. Transport of atom packets in a train of Ioffe-Pritchard traps

    SciTech Connect

    Lahaye, T.; Reinaudi, G.; Wang, Z.; Couvert, A.; Guery-Odelin, D.

    2006-09-15

    We demonstrate transport and evaporative cooling of several atomic clouds in a chain of magnetic Ioffe-Pritchard traps moving at a low speed (<1 m/s). The trapping scheme relies on the use of a magnetic guide for transverse confinement and of magnets fixed on a conveyor belt for longitudinal trapping. This experiment introduces a different approach for parallelizing the production of Bose-Einstein condensates as well as for the realization of a continuous atom laser.

  11. Force cycles and force chains.

    PubMed

    Tordesillas, Antoinette; Walker, David M; Lin, Qun

    2010-01-01

    We examine the coevolution of N cycles and force chains as part of a broader study which is designed to quantitatively characterize the role of the laterally supporting contact network to the evolution of force chains. Here, we elucidate the rheological function of these coexisting structures, especially in the lead up to failure. In analogy to force chains, we introduce the concept of force cycles: N cycles whose contacts each bear above average force. We examine their evolution around force chains in a discrete element simulation of a dense granular material under quasistatic biaxial loading. Three-force cycles are shown to be stabilizing structures that inhibit relative particle rotations and provide strong lateral support to force chains. These exhibit distinct behavior from other cycles. Their population decreases rapidly during the initial stages of the strain-hardening regime-a trend that is suddenly interrupted and reversed upon commencement of force chain buckling prior to peak shear stress. Results suggest that the three-force cycles are called upon for reinforcements to ward off failure via shear banding. Ultimately though, the resistance to buckling proves futile; buckling wins under the combined effects of dilatation and increasing compressive load. The sudden increase in three-force cycles may thus be viewed as an indicator of imminent failure via shear bands.

  12. Reinforcement learning in supply chains.

    PubMed

    Valluri, Annapurna; North, Michael J; Macal, Charles M

    2009-10-01

    Effective management of supply chains creates value and can strategically position companies. In practice, human beings have been found to be both surprisingly successful and disappointingly inept at managing supply chains. The related fields of cognitive psychology and artificial intelligence have postulated a variety of potential mechanisms to explain this behavior. One of the leading candidates is reinforcement learning. This paper applies agent-based modeling to investigate the comparative behavioral consequences of three simple reinforcement learning algorithms in a multi-stage supply chain. For the first time, our findings show that the specific algorithm that is employed can have dramatic effects on the results obtained. Reinforcement learning is found to be valuable in multi-stage supply chains with several learning agents, as independent agents can learn to coordinate their behavior. However, learning in multi-stage supply chains using these postulated approaches from cognitive psychology and artificial intelligence take extremely long time periods to achieve stability which raises questions about their ability to explain behavior in real supply chains. The fact that it takes thousands of periods for agents to learn in this simple multi-agent setting provides new evidence that real world decision makers are unlikely to be using strict reinforcement learning in practice.

  13. Optical angular momentum and atoms.

    PubMed

    Franke-Arnold, Sonja

    2017-02-28

    Any coherent interaction of light and atoms needs to conserve energy, linear momentum and angular momentum. What happens to an atom's angular momentum if it encounters light that carries orbital angular momentum (OAM)? This is a particularly intriguing question as the angular momentum of atoms is quantized, incorporating the intrinsic spin angular momentum of the individual electrons as well as the OAM associated with their spatial distribution. In addition, a mechanical angular momentum can arise from the rotation of the entire atom, which for very cold atoms is also quantized. Atoms therefore allow us to probe and access the quantum properties of light's OAM, aiding our fundamental understanding of light-matter interactions, and moreover, allowing us to construct OAM-based applications, including quantum memories, frequency converters for shaped light and OAM-based sensors.This article is part of the themed issue 'Optical orbital angular momentum'.

  14. Optical angular momentum and atoms

    NASA Astrophysics Data System (ADS)

    Franke-Arnold, Sonja

    2017-02-01

    Any coherent interaction of light and atoms needs to conserve energy, linear momentum and angular momentum. What happens to an atom's angular momentum if it encounters light that carries orbital angular momentum (OAM)? This is a particularly intriguing question as the angular momentum of atoms is quantized, incorporating the intrinsic spin angular momentum of the individual electrons as well as the OAM associated with their spatial distribution. In addition, a mechanical angular momentum can arise from the rotation of the entire atom, which for very cold atoms is also quantized. Atoms therefore allow us to probe and access the quantum properties of light's OAM, aiding our fundamental understanding of light-matter interactions, and moreover, allowing us to construct OAM-based applications, including quantum memories, frequency converters for shaped light and OAM-based sensors. This article is part of the themed issue 'Optical orbital angular momentum'.

  15. Magnetic trap for thulium atoms

    SciTech Connect

    Sukachev, D D; Sokolov, A V; Chebakov, K A; Akimov, A V; Kolachevskii, N N; Sorokin, Vadim N

    2011-08-31

    For the first time ultra-cold thulium atoms were trapped in a magnetic quadrupole trap with a small field gradient (20 Gs cm{sup -1}). The atoms were loaded from a cloud containing 4x10{sup 5} atoms that were preliminarily cooled in a magneto-optical trap to the sub-Doppler temperature of 80 {mu}K. As many as 4x10{sup 4} atoms were trapped in the magnetic trap at the temperature of 40 {mu}K. By the character of trap population decay the lifetime of atoms was determined (0.5 s) and an upper estimate was obtained for the rate constant of inelastic binary collisions for spin-polarised thulium atoms in the ground state (g{sub in} < 10{sup -11}cm{sup 3} s{sup -1}). (magnetic traps)

  16. Primary Atomic Clock Reference System

    NASA Technical Reports Server (NTRS)

    2001-01-01

    An artist's concept of the Primary Atomic Clock Reference System (PARCS) plarned to fly on the International Space Station (ISS). PARCS will make even more accurate atomic time available to everyone, from physicists testing Einstein's Theory of Relativity, to hikers using the Global Positioning System to find their way. In ground-based atomic clocks, lasers are used to cool and nearly stop atoms of cesium whose vibrations are used as the time base. The microgravity of space will allow the atoms to be suspended in the clock rather than circulated in an atomic fountain, as required on Earth. PARCS is being developed by the Jet Propulsion Laboratory with principal investigators at the National Institutes of Standards and Technology and the University of Colorado, Boulder. See also No. 0103191

  17. Primary Atomic Clock Reference System

    NASA Technical Reports Server (NTRS)

    2001-01-01

    An artist's concept of the Primary Atomic Clock Reference System (PARCS) plarned to fly on the International Space Station (ISS). PARCS will make even more accurate atomic time available to everyone, from physicists testing Einstein's Theory of Relativity, to hikers using the Global Positioning System to find their way. In ground-based atomic clocks, lasers are used to cool and nearly stop atoms of cesium whose vibrations are used as the time base. The microgravity of space will allow the atoms to be suspended in the clock rather than circulated in an atomic fountain, as required on Earth. PARCS is being developed by the Jet Propulsion Laboratory with principal investigators at the National Institutes of Standards and Technology and the University of Colorado, Boulder. See also No. 0100120.

  18. ATOMIC POWER PLANT

    DOEpatents

    Daniels, F.

    1957-11-01

    This patent relates to neutronic reactor power plants and discloses a design of a reactor utilizing a mixture of discrete units of a fissionable material, such as uranium carbide, a neutron moderator material, such as graphite, to carry out the chain reaction. A liquid metal, such as bismuth, is used as the coolant and is placed in the reactor chamber with the fissionable and moderator material so that it is boiled by the heat of the reaction, the boiling liquid and vapors passing up through the interstices between the discrete units. The vapor and flue gases coming off the top of the chamber are passed through heat exchangers, to produce steam, for example, and thence through condensers, the condensed coolant being returned to the chamber by gravity and the non- condensible gases being carried off through a stack at the top of the structure.

  19. Homogeneous Atomic Fermi Gases

    NASA Astrophysics Data System (ADS)

    Mukherjee, Biswaroop; Yan, Zhenjie; Patel, Parth B.; Hadzibabic, Zoran; Yefsah, Tarik; Struck, Julian; Zwierlein, Martin W.

    2017-03-01

    We report on the creation of homogeneous Fermi gases of ultracold atoms in a uniform potential. In the momentum distribution of a spin-polarized gas, we observe the emergence of the Fermi surface and the saturated occupation of one particle per momentum state: the striking consequence of Pauli blocking in momentum space for a degenerate gas. Cooling a spin-balanced Fermi gas at unitarity, we create homogeneous superfluids and observe spatially uniform pair condensates. For thermodynamic measurements, we introduce a hybrid potential that is harmonic in one dimension and uniform in the other two. The spatially resolved compressibility reveals the superfluid transition in a spin-balanced Fermi gas, saturation in a fully polarized Fermi gas, and strong attraction in the polaronic regime of a partially polarized Fermi gas.

  20. Atoms in astronomy

    NASA Technical Reports Server (NTRS)

    Blanchard, P. A.

    1976-01-01

    Aspects of electromagnetic radiation and atomic physics needed for an understanding of astronomical applications are explored. Although intended primarily for teachers, this brochure is written so that it can be distributed to students if desired. The first section, Basic Topics, is suitable for a ninth-grade general science class; the style is simple and repetitive, and no mathematics or physics background is required. The second section, Intermediate and Advanced Topics, requires a knowledge of the material in the first section and assumes a generally higher level of achievement and motivation on the part of the student. These latter topics might fit well into junior-level physics, chemistry, or earth-science courses. Also included are a glossary, a list of references and teaching aids, class exercises, and a question and answer section.

  1. Atomic and gravitational clocks

    NASA Technical Reports Server (NTRS)

    Canuto, V. M.; Goldman, I.

    1982-01-01

    Atomic and gravitational clocks are governed by the laws of electrodynamics and gravity, respectively. While the strong equivalence principle (SEP) assumes that the two clocks have been synchronous at all times, recent planetary data seem to suggest a possible violation of the SEP. Past analysis of the implications of an SEP violation on different physical phenomena revealed no disagreement. However, these studies assumed that the two different clocks can be consistently constructed within the framework. The concept of scale invariance, and the physical meaning of different systems of units, are now reviewed and the construction of two clocks that do not remain synchronous - whose rates are related by a non-constant function beta sub a - is demonstrated. The cosmological character of beta sub a is also discussed.

  2. Atomic Basic Blocks

    NASA Astrophysics Data System (ADS)

    Scheler, Fabian; Mitzlaff, Martin; Schröder-Preikschat, Wolfgang

    Die Entscheidung, einen zeit- bzw. ereignisgesteuerten Ansatz für ein Echtzeitsystem zu verwenden, ist schwierig und sehr weitreichend. Weitreichend vor allem deshalb, weil diese beiden Ansätze mit äußerst unterschiedlichen Kontrollflussabstraktionen verknüpft sind, die eine spätere Migration zum anderen Paradigma sehr schwer oder gar unmöglich machen. Wir schlagen daher die Verwendung einer Zwischendarstellung vor, die unabhängig von der jeweils verwendeten Kontrollflussabstraktion ist. Für diesen Zweck verwenden wir auf Basisblöcken basierende Atomic Basic Blocks (ABB) und bauen darauf ein Werkzeug, den Real-Time Systems Compiler (RTSC) auf, der die Migration zwischen zeit- und ereignisgesteuerten Systemen unterstützt.

  3. Phase shift due to atom-atom interactions in a light-pulse atom interferometer

    NASA Astrophysics Data System (ADS)

    Jannin, Raphaël; Cladé, Pierre; Guellati-Khélifa, Saïda

    2015-07-01

    We present a theoretical model allowing precise calculation of the phase shift induced by atom-atom interactions in a light-pulse atom interferometer based on two-photon Raman atom optics. This model is in good agreement with numerical simulations based on solving the Gross-Pitaevskii equation. The atom interferometer exhibits an atom-atom-interaction-induced phase shift when there is asymmetry between the two arms of the interferometer. In the case of a Ramsey-Bordé atom interferometer ({π /2 -π /2 }-{π /2 -π /2 } pulse configuration), the asymmetry comes from the fact that the number of atoms in each arm of the interferometer is not constant. In the case of a Mach-Zehnder ({π /2 -π -π /2 } pulse sequence), if the pulses are perfect, the number of atoms is constant in the interferometer. We study the effect due to imperfections of the light pulses as well as the effect due to the expansion of the cloud. Our model leads to precise and simple formulas of the mean-field phase shift as a function of the experimental parameters.

  4. Folding of proteins with an all-atom Go-model.

    PubMed

    Wu, L; Zhang, J; Qin, M; Liu, F; Wang, W

    2008-06-21

    The Go-like potential at a residual level has been successfully applied to the folding of proteins in many previous works. However, taking into consideration more detailed structural information in the atomic level, the definition of contacts used in these traditional Go-models may not be suitable for all-atom simulations. Here, in this work, we develop a rational definition of contacts considering the screening effect in the crowded intramolecular environment. In such a scheme, a large amount of screened atom pairs are excluded and the number of contacts is decreased compared to the case of the traditional definition. These contacts defined by such a new definition are compatible with the all-atom representation of protein structures. To verify the rationality of the new definition of contacts, the folding of proteins CI2 and SH3 is simulated by all-atom molecular dynamics simulations. A high folding cooperativity and good correlation of the simulated Phi-values with those obtained experimentally, especially for CI2, are found. This suggests that the all-atom Go-model is improved compared to the traditional Go-model. Based on the comparison of the Phi-values, the roles of side chains in the folding are discussed, and it is concluded that the side-chain structures are more important for local contacts in determining the transition state structures. Moreover, the relations between side chain and backbone orderings are also discussed.

  5. Atomic laser-beam finder.

    PubMed

    Viering, Kirsten; Medellin, David; Mo, Jianyong; Raizen, Mark G

    2012-11-05

    We report on an experimental method to align a laser beam to a cloud of atoms trapped in a magneto-optical trap (MOT). We show how balanced lock-in detection leads to a very sensitive method to align the laser beam to the atoms in the plane perpendicular to the propagation direction. This provides a very reliable and fast way of aligning laser beams to atoms trapped in a MOT.

  6. Atomic transportation via carbon nanotubes.

    PubMed

    Wang, Quan

    2009-01-01

    The transportation of helium atoms in a single-walled carbon nanotube is reported via molecular dynamics simulations. The efficiency of the atomic transportation is found to be dependent on the type of the applied loading and the loading rate as well as the temperature in the process. Simulations show the transportation is a result of the van der Waals force between the nanotube and the helium atoms through a kink propagation initiated in the nanotube.

  7. Switching function of the diphenylacetylene molecule between carbon nanotubes & carbon chain: A DFT study

    NASA Astrophysics Data System (ADS)

    Kumar, Maneesh

    2017-01-01

    Using first-principles density functional theory and nonequilibrium Green's function formalism, we investigate theoretically how the twist of torsional angle effect on the electronic transport properties of the diphenylacetylene (DPA) molecule bridged between a (5,5) capped carbon nanotubes (CCNTs) and linear carbon atomic chains. The tunneling current through the (5,5) capped CNT-DPA-linear carbon atomic chain system was found larger current when the torsional angle is 0° (coplanar conformation). BY increasing the torsional angle equal to 90° (perpendicular conformation), between two benzene rings, the current is strongly suppressed. These results suggest that the (5,5) capped CNT-DPA-linear carbon atomic chain system is a potential candidate for molecular switches. The physical origin of the switching behavior of the (5,5) capped CNT-DPA-linear carbon atomic chain system is systematically studied by analyses of transmission spectrum, energy gaps, the spatial distribution of frontier molecular orbital and current-voltage characteristics of the systems.

  8. A new assessment of the alleged link between element 115 and element 117 decay chains

    NASA Astrophysics Data System (ADS)

    Forsberg, U.; Rudolph, D.; Fahlander, C.; Golubev, P.; Sarmiento, L. G.; Åberg, S.; Block, M.; Düllmann, Ch. E.; Heßberger, F. P.; Kratz, J. V.; Yakushev, A.

    2016-09-01

    A novel rigorous statistical treatment is applied to available data (May 9, 2016) from search and spectroscopy experiments on the elements with atomic numbers Z = 115 and Z = 117. The present analysis implies that the hitherto proposed cross-reaction link between α-decay chains associated with the isotopes 293117 and 289115 is highly improbable.

  9. SPRITE and ASSAM: web servers for side chain 3D-motif searching in protein structures

    PubMed Central

    Nadzirin, Nurul; Gardiner, Eleanor J.; Willett, Peter; Artymiuk, Peter J.; Firdaus-Raih, Mohd

    2012-01-01

    Similarities in the 3D patterns of amino acid side chains can provide insights into their function despite the absence of any detectable sequence or fold similarities. Search for protein sites (SPRITE) and amino acid pattern search for substructures and motifs (ASSAM) are graph theoretical programs that can search for 3D amino side chain matches in protein structures, by representing the amino acid side chains as pseudo-atoms. The geometric relationship of the pseudo-atoms to each other as a pattern can be represented as a labeled graph where the pseudo-atoms are the graph's nodes while the edges are the inter-pseudo-atomic distances. Both programs require the input file to be in the PDB format. The objective of using SPRITE is to identify matches of side chains in a query structure to patterns with characterized function. In contrast, a 3D pattern of interest can be searched for existing occurrences in available PDB structures using ASSAM. Both programs are freely accessible without any login requirement. SPRITE is available at http://mfrlab.org/grafss/sprite/ while ASSAM can be accessed at http://mfrlab.org/grafss/assam/. PMID:22573174

  10. Many-Body Atomic Physics

    NASA Astrophysics Data System (ADS)

    Boyle, J. J.; Pindzola, M. S.

    1998-09-01

    Preface; Contributors; Introduction; Part I. Atomic Structure: 1. Development of atomic many-body theory Ingvar Lindgren; 2. Relativistic MBPT for highly charged ions W. R. Johnson; 3. Parity nonconservation in atoms S. A. Blundell, W. R. Johnson, and J. Sapirstein; Part II. Photoionization of Atoms: 4. Single photoionization processes J. J. Boyle, and M. D. Kutzner; 5. Photoionization dominated by double excitation T. N. Chang; 6. Direct double photoionization in atoms Z. W. Liu; 7. Photoelectron angular distributions Steven T. Manson; Part III. A. Atomic Scattering - General Considerations: 8. The many-body approach to electron-atom collisions M. Ya Amusia; 9. Theoretical aspects of electron impact ionization P. L. Altick; Part III. B. Atomic Scattering - Low-Order Applications: 10. Perturbation series methods D. H. Madison; 11. Target dependence of the triply differential cross section Cheng Pan and Anthony F. Starace; 12. Overview of Thomas processes for fast mass transfer J. H. McGuire, Jack C. Straton and T. Ishihara; Part III. C. Atomic Scattering - All-Order Applications: 13. R-matrix Theory: Some Recent Applications Philip G. Burke: 14. Electron scattering: application of Dirac R-matrix theory Wasantha Wijesundera, Ian Grant and Patrick Norrington; 15. Close coupling and distorted-wave theory D. C. Griffin and M. S. Pindzola; Appendix: Units and notation; References; Index.

  11. Many-Body Atomic Physics

    NASA Astrophysics Data System (ADS)

    Boyle, J. J.; Pindzola, M. S.

    2005-11-01

    Preface; Contributors; Introduction; Part I. Atomic Structure: 1. Development of atomic many-body theory Ingvar Lindgren; 2. Relativistic MBPT for highly charged ions W. R. Johnson; 3. Parity nonconservation in atoms S. A. Blundell, W. R. Johnson, and J. Sapirstein; Part II. Photoionization of Atoms: 4. Single photoionization processes J. J. Boyle, and M. D. Kutzner; 5. Photoionization dominated by double excitation T. N. Chang; 6. Direct double photoionization in atoms Z. W. Liu; 7. Photoelectron angular distributions Steven T. Manson; Part III. A. Atomic Scattering - General Considerations: 8. The many-body approach to electron-atom collisions M. Ya Amusia; 9. Theoretical aspects of electron impact ionization P. L. Altick; Part III. B. Atomic Scattering - Low-Order Applications: 10. Perturbation series methods D. H. Madison; 11. Target dependence of the triply differential cross section Cheng Pan and Anthony F. Starace; 12. Overview of Thomas processes for fast mass transfer J. H. McGuire, Jack C. Straton and T. Ishihara; Part III. C. Atomic Scattering - All-Order Applications: 13. R-matrix Theory: Some Recent Applications Philip G. Burke: 14. Electron scattering: application of Dirac R-matrix theory Wasantha Wijesundera, Ian Grant and Patrick Norrington; 15. Close coupling and distorted-wave theory D. C. Griffin and M. S. Pindzola; Appendix: Units and notation; References; Index.

  12. Versatile cold atom target apparatus

    SciTech Connect

    Goetz, Simone; Hoeltkemeier, Bastian; Hofmann, Christoph S.; Litsch, Dominic; DePaola, Brett D.; Weidemueller, Matthias

    2012-07-15

    We report on a compact and transportable apparatus that consists of a cold atomic target at the center of a high resolution recoil ion momentum spectrometer. Cold rubidium atoms serve as a target which can be operated in three different modes: in continuous mode, consisting of a cold atom beam generated by a two-dimensional magneto-optical trap, in normal mode in which the atoms from the beam are trapped in a three-dimensional magneto-optical trap (3D MOT), and in high density mode in which the 3D MOT is operated in dark spontaneous optical trap configuration. The targets are characterized using photoionization.

  13. HPAM: Hirshfeld partitioned atomic multipoles

    NASA Astrophysics Data System (ADS)

    Elking, Dennis M.; Perera, Lalith; Pedersen, Lee G.

    2012-02-01

    An implementation of the Hirshfeld (HD) and Hirshfeld-Iterated (HD-I) atomic charge density partitioning schemes is described. Atomic charges and atomic multipoles are calculated from the HD and HD-I atomic charge densities for arbitrary atomic multipole rank l on molecules of arbitrary shape and size. The HD and HD-I atomic charges/multipoles are tested by comparing molecular multipole moments and the electrostatic potential (ESP) surrounding a molecule with their reference ab initio values. In general, the HD-I atomic charges/multipoles are found to better reproduce ab initio electrostatic properties over HD atomic charges/multipoles. A systematic increase in precision for reproducing ab initio electrostatic properties is demonstrated by increasing the atomic multipole rank from l=0 (atomic charges) to l=4 (atomic hexadecapoles). Both HD and HD-I atomic multipoles up to rank l are shown to exactly reproduce ab initio molecular multipole moments of rank L for L⩽l. In addition, molecular dipole moments calculated by HD, HD-I, and ChelpG atomic charges only ( l=0) are compared with reference ab initio values. Significant errors in reproducing ab initio molecular dipole moments are found if only HD or HD-I atomic charges used. Program summaryProgram title: HPAM Catalogue identifier: AEKP_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKP_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License v2 No. of lines in distributed program, including test data, etc.: 500 809 No. of bytes in distributed program, including test data, etc.: 13 424 494 Distribution format: tar.gz Programming language: C Computer: Any Operating system: Linux RAM: Typically, a few hundred megabytes Classification: 16.13 External routines: The program requires 'formatted checkpoint' files obtained from the Gaussian 03 or Gaussian 09 quantum chemistry program. Nature of problem: An ab initio

  14. Structural and magnetic properties of FeMnx chains (x =1 -6 ) supported on Cu2N /Cu (100)

    NASA Astrophysics Data System (ADS)

    Choi, Deung-Jang; Robles, Roberto; Gauyacq, Jean-Pierre; Ternes, Markus; Loth, Sebastian; Lorente, Nicolás

    2016-08-01

    Heterogeneous atomic magnetic chains are built by atom manipulation on a Cu2N /Cu (100) substrate. Their magnetic properties are studied and rationalized by a combined scanning tunneling microscopy (STM) and density functional theory (DFT) work completed by model Hamiltonian studies. The chains are built using Fe and Mn atoms ontop of the Cu atoms along the N rows of the Cu2N surface. Here, we present results for FeMnx chains (x =1 -6 ) emphasizing the evolution of the geometrical, electronic, and magnetic properties with chain size. By fitting our results to a Heisenberg Hamiltonian we have studied the exchange-coupling matrix elements J for different chains. For the shorter chains, x ≤2 , we have included spin-orbit effects in the DFT calculations, extracting the magnetic anisotropy energy. Our results are also fitted to a simple anisotropic spin Hamiltonian and we have extracted values for the longitudinal-anisotropy D and transversal-anisotropy E constants. These parameters together with the values for J allow us to compute the magnetic excitation energies of the system and to compare them with the experimental data.

  15. QSTR with extended topochemical atom indices. 10. Modeling of toxicity of organic chemicals to humans using different chemometric tools.

    PubMed

    Roy, Kunal; Ghosh, Gopinath

    2008-11-01

    In this communication, we have developed quantitative predictive models using human lethal concentration values of 26 organic compounds including some pharmaceuticals with extended topochemical atom (ETA) indices applying different chemometric tools and compared the extended topochemical atom models with the models developed from non-extended topochemical atom ones. Extended topochemical atom descriptors were also tried in combination with non-extended topochemical atom descriptors to develop better predictive models. The use of extended topochemical atom descriptors along with non-extended topochemical atom ones improved equation statistics and cross-validation quality. The best model with sound statistical quality was developed from partial least squares regression using extended topochemical atom descriptors in combination non-extended topochemical atom ones. Finally, to check true predictability of the ETA parameters, the data set was divided into training (n = 19) and test (n = 7) sets. Partial least squares and genetic partial least squares models were developed from the training set using extended topochemical atom indices and the models were validated using the test set. The extended topochemical atom models developed from different statistical tools suggest that the toxicity increases with bulk, chloro functionality, presence of electronegative atoms within a chain or ring and unsaturation, and decreases with hydroxy functionality and branching. The results suggest that the extended topochemical atom descriptors are sufficiently rich in chemical information to encode the structural features for QSAR/QSPR/QSTR modeling.

  16. Self-Organized Growth, Structure, and Magnetism of Monatomic Transition-Metal Oxide Chains

    NASA Astrophysics Data System (ADS)

    Ferstl, Pascal; Hammer, Lutz; Sobel, Christopher; Gubo, Matthias; Heinz, Klaus; Schneider, M. Alexander; Mittendorfer, Florian; Redinger, Josef

    2016-07-01

    We report on the self-organized growth of monatomic transition-metal oxide chains of (3 ×1 ) periodicity and unusual M O2 stoichiometry (M =Ni , Co, Fe, Mn) on Ir(100). We analyze their structural and magnetic properties by means of quantitative LEED, STM, and density functional theory (DFT) calculations. LEED analyses reveal a fascinating common atomic structure in which the transition-metal atoms sit above a missing-row structure of the surface and are coupled to the substrate only via oxygen atoms. This structure is confirmed by DFT calculations with structural parameters deviating by less than 1.7 pm. The DFT calculations predict that the NiO2 chains are nonmagnetic, CoO2 chains are ferromagnetic, while FeO2 and MnO2 are antiferromagnetic. All structures show only weak magnetic interchain coupling. Further, we demonstrate the growth of oxide chains of binary alloys of Co and Ni or Fe on Ir(100), which allows us to produce well-controlled ensembles of ferromagnetic chains of different lengths separated by nonmagnetic or antiferromagnetic segments.

  17. Linear Atom Guides: Guiding Rydberg Atoms and Progress Toward an Atom Laser

    NASA Astrophysics Data System (ADS)

    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

  18. Classical and quantum aspects of spin interaction in 3 d chains on a C u3N -Cu(110) molecular network

    NASA Astrophysics Data System (ADS)

    Bazhanov, D. I.; Stepanyuk, O. V.; Farberovich, O. V.; Stepanyuk, V. S.

    2016-01-01

    We present a study of the magnetic states and exchange coupling in transition-metal Mn, Fe, and Co atomic chains deposited on a self-corrugated C u3N -Cu(110) molecular network by means of first-principles calculations based on the density functional theory. The various adsorption sites on a bumping area of a self-corrugated C u3N layer are investigated where the atomic chains are formed at the initial stage of nanowire growth. We demonstrate, by calculating the ground-state magnetic configurations, that the exchange coupling, magnetic order, and anisotropies in atomic chains depend sensitively on their chemical composition and adsorption sites on the C u3N network. We find that the exchange interactions in atomic chains could lead to ferromagnetic or antiferromagnetic coupling of atomic spins depending on the position of the chain on the surface. The classical spin dynamics is investigated by means of the kinetic Monte Carlo method based on transition-state theory. Moreover we evaluate the Heisenberg-Dirac-Van Vleck quantum spin Hamiltonian for calculations of the magnetic susceptibility, in order to demonstrate the existence of quantum entanglement in the antiferromagnetic atomic chains at low temperatures.

  19. A Quantum Model of Atoms (the Energy Levels of Atoms).

    ERIC Educational Resources Information Center

    Rafie, Francois

    2001-01-01

    Discusses the model for all atoms which was developed on the same basis as Bohr's model for the hydrogen atom. Calculates the radii and the energies of the orbits. Demonstrates how the model obeys the de Broglie's hypothesis that the moving electron exhibits both wave and particle properties. (Author/ASK)

  20. Recent developments in atomizers for electrothermal atomic absorption spectrometry.

    PubMed

    Frech, W

    1996-06-01

    This review first describes general requirements to be met for suitable base materials used to produce electrothermal atomizers (ETAs). In this connection the physical and chemical properties of adequate types of graphite and metals are discussed. Further, various atomizer designs, their temperature dynamics during atomization and general performance characteristics are critically reviewed. For end-heated Massmann-type atomizers, discussions are focused on recent developments of, e.g., contoured tubes to achieve improved temperature homogeneity over the tube length, second surface atomizers to realize temporally isothermal atomization and tubes with graphite filters to reduce interference effects. The state-of-the-art of platform equipped, side-heated atomizers with integrated contacting bridges are characterized mainly with respect to heating dynamics, as well as susceptibility to interference- and memory effects. In contrast to end-heated ETAs, the tube ends of side-heated ETAs are freely located in the furnace compartment and, as a consequence of this configuration, convective gas flows can easily appear. The magnitude and effect of these flows on analytical performance are discussed and measures are suggested, permitting operation under diffusion controlled conditions. A critical comparison of classical constant temperature atomizers with state-of-the-art platform equipped ETAs is made and from this it is concluded that future ETA developments are likely to involve only minor modifications aiming at, e.g., the reduction of cycling times or the improvement of tube surface properties.

  1. Testing Atom and Neutron Neutrality with Atom Interferometry

    SciTech Connect

    Arvanitaki, Asimina; Dimopoulos, Savas; Geraci, Andrew A.; Hogan, Jason; Kasevich, Mark; /Stanford U., Phys. Dept.

    2008-01-07

    We propose an atom-interferometry experiment based on the scalar Aharonov-Bohm effect which detects an atom charge at the 10{sup -28} e level, and improves the current laboratory limits by 8 orders of magnitude. This setup independently probes neutron charges down to 10{sup 28} e, 7 orders of magnitude below current bounds.

  2. How to Test Atom and Neutron Neutrality with Atom Interferometry

    SciTech Connect

    Arvanitaki, Asimina; Dimopoulos, Savas; Geraci, Andrew A.; Hogan, Jason; Kasevich, Mark

    2008-03-28

    We propose an atom-interferometry experiment based on the scalar Aharonov-Bohm effect which detects an atom charge at the 10{sup -28}e level, and improves the current laboratory limits by 8 orders of magnitude. This setup independently probes neutron charges down to 10{sup -28}e, 7 orders of magnitude below current bounds.

  3. Microdroplet Sample Application in Electrothermal Atomization for Atomic Absorption Spectrometry.

    DTIC Science & Technology

    1982-03-29

    ad ideftify by Week amber) atomic absorption spectroscopy microsampl ing graphite- furnace AAS automation C> 20. AOSTRACT (Coninuhe an reveresi de It...furnace and spectrometer system as well as for partial support of this project. REFERENCES 1. J. D. Winefordner, Atomic Absorption Spectroscopy , G. F

  4. Intermolecular atom-atom bonds in crystals - a chemical perspective.

    PubMed

    Thakur, Tejender S; Dubey, Ritesh; Desiraju, Gautam R

    2015-03-01

    Short atom-atom distances between molecules are almost always indicative of specific intermolecular bonding. These distances may be used to assess the significance of all hydrogen bonds, including the C-H⋯O and even weaker C-H⋯F varieties.

  5. Aligning incentives in supply chains.

    PubMed

    Narayanan, V G; Raman, Ananth

    2004-11-01

    Most companies don't worry about the behavior of their supply chain partners. Instead, they expect the supply chain to work efficiently without interference, as if guided by Adam Smith's famed invisible hand. In their study of more than 50 supply networks, V.G. Narayanan and Ananth Raman found that companies often looked out for their own interests and ignored those of their network partners. Consequently, supply chains performed poorly. Those results aren't shocking when you consider that supply chains extend across several functions and many companies, each with its own priorities and goals. Yet all those functions and firms must pull in the same direction for a chain to deliver goods and services to consumers quickly and cost-effectively. According to the authors, a supply chain works well only if the risks, costs, and rewards of doing business are distributed fairly across the network. In fact, misaligned incentives are often the cause of excess inventory, stock-outs, incorrect forecasts, inadequate sales efforts, and even poor customer service. The fates of all supply chain partners are interlinked: If the firms work together to serve consumers, they will all win. However, they can do that only if incentives are aligned. Companies must acknowledge that the problem of incentive misalignment exists and then determine its root cause and align or redesign incentives. They can improve alignment by, for instance, adopting revenue-sharing contracts, using technology to track previously hidden information, or working with intermediaries to build trust among network partners. It's also important to periodically reassess incentives, because even top-performing networks find that changes in technology or business conditions alter the alignment of incentives.

  6. Phase diagram and entanglement of two interacting topological Kitaev chains

    NASA Astrophysics Data System (ADS)

    Herviou, Loïc; Mora, Christophe; Le Hur, Karyn

    2016-04-01

    A superconducting wire described by a p -wave pairing and a Kitaev Hamiltonian exhibits Majorana fermions at its edges and is topologically protected by symmetry. We consider two Kitaev wires (chains) coupled by a Coulomb-type interaction and study the complete phase diagram using analytical and numerical techniques. A topological superconducting phase with four Majorana fermions occurs until moderate interactions between chains. For large interactions, both repulsive and attractive, by analogy with the Hubbard model, we identify Mott phases with Ising-type magnetic order. For repulsive interactions, the Ising antiferromagnetic order favors the occurrence of orbital currents spontaneously breaking time-reversal symmetry. By strongly varying the chemical potentials of the two chains, quantum phase transitions towards fully polarized (empty or full) fermionic chains occur. In the Kitaev model, the quantum critical point separating the topological superconducting phase and the polarized phase belongs to the universality class of the critical Ising model in two dimensions. When increasing the Coulomb interaction between chains, then we identify an additional phase corresponding to two critical Ising theories (or two chains of Majorana fermions). We confirm the existence of such a phase from exact mappings and from the concept of bipartite fluctuations. We show the existence of negative logarithmic corrections in the bipartite fluctuations, as a reminiscence of the quantum critical point in the Kitaev model. Other entanglement probes such as bipartite entropy and entanglement spectrum are also used to characterize the phase diagram. The limit of large interactions can be reached in an equivalent setup of ultracold atoms and Josephson junctions.

  7. Tuning coercivity via iron chains in phthalocyanine thin films

    NASA Astrophysics Data System (ADS)

    Werber, Mathew Stephen

    We investigated the properties of magnetic hysteresis loops of Iron Phthalocyanine (FePc) thin films using a Vibrating Sample Magnetometer (VSM). The FePc thin films were deposited onto heated silicon substrates. During deposition the FePc molecules self-assemble into small crystallites ranging in size from 30 to 300 nm on average. Due to the planar shape of the molecule, chains of iron atoms are formed. The magnetic interaction within a chain is much stronger than between chains, making these thin films quasi-one-dimensional magnetic systems. The average length of the major axis of the grains increases with the temperature of the substrate (deposition temperature). Essentially the thin films are made up of many randomly oriented iron chains of variable length, which are parallel to the substrate surface. We show that the coercivity of hysteresis loops measured at 2 K increases linearly with the average major axis grain length. From interpolation, the minimum average grain length for hysteresis to occur is 8 nm, and every additional nano-meter in length increases the coercivity by 72 Oe. By measuring hysteresis loops of many thin films of varying thickness we found that the saturation magnetization is 31 emu/cm3. This corresponds to 2.0 +/- 0.6 micro B per iron ion, as compared to 2.22 microB for iron in a 3D lattice at 0 K. The choice of substrate also affects the hysteresis properties. Samples deposited on silicon substrates that had first been coated in gold with a rms roughness of approximately 1 nm will show much lower coercivity than corresponding silicon substrate samples. The planar gold surface allows for a different growth pattern in which the chains form vertically, perpendicular to the substrate. This lower coercivity suggests that the chains are shorter when vertically oriented.

  8. Study of the electronic structure of short chain oligothiophenes

    NASA Astrophysics Data System (ADS)

    Grazioli, C.; Baseggio, O.; Stener, M.; Fronzoni, G.; de Simone, M.; Coreno, M.; Guarnaccio, A.; Santagata, A.; D'Auria, M.

    2017-02-01

    The electronic structure of short-chain thiophenes (thiophene, 2,2'-bithiophene, and 2,2':5',2″-terthiophene) in the gas phase has been investigated by combining the outcomes of Near-Edge X-ray-Absorption Fine-Structure (NEXAFS) and X-ray Photoemission Spectroscopy (XPS) at the C K-edge with those of density functional theory (DFT) calculations. The calculated NEXAFS spectra provide a comprehensive description of the main experimental features and allow their attribution. The evolution of the C1s NEXAFS spectral features is analyzed as a function of the number of thiophene rings; a tendency to stabilization for increasing chain length is found. The computation of the binding energy allows to assign the experimental XPS peaks to the different carbon sites on the basis of both the inductive effects generated by the presence of the S atom as well as of the differential aromaticity effects.

  9. Exfoliated graphite oxide decorated by PDMAEMA chains and polymer particles.

    PubMed

    Yang, Yongfang; Wang, Jie; Zhang, Jian; Liu, Jinchuan; Yang, Xinglin; Zhao, Hanying

    2009-10-06

    Exfoliated graphite oxide (GO) sheets with hydroxyl groups and amine groups on the surface were prepared by modification of graphite. Atom transfer radical polymerization (ATRP) initiator molecules were grafted onto the GO sheets by reactions of 2-bromo-2-methylpropionyl bromide with hydroxyl groups and amine groups. Poly(2-(dimethylamino)ethyl methacrylate) (PDMAEMA) chains on the surface of GO sheets were synthesized by in-situ ATRP. X-ray photoelectron spectroscopy, thermogravimetric analysis, and transmission electron microscopy (TEM) results all demonstrated that polymer chains were successfully produced. After grafting of PDMAEMA, the dispersity of GO sheets in solvents was improved significantly. Poly(ethylene glycol dimethacrylate-co-methacrylic acid) particles were deposited on GO sheets via hydrogen bonding between MAA units on polymer particles and amine groups of PDMAEMA. TEM and scanning electron microscopy were used to characterize the structure of the nanocomposites.

  10. Coherent Atom Optics with fast metastable rare gas atoms

    SciTech Connect

    Grucker, J.; Baudon, J.; Karam, J.-C.; Perales, F.; Vassilev, G.; Ducloy, M.; Bocvarski, V.

    2006-12-01

    Coherent atom optics experiments making use of an ultra-narrow beam of fast metastable atoms generated by metastability exchange are reported. The transverse coherence of the beam (coherence radius of 1.7 {mu}m for He*, 1.2 {mu}m for Ne*, 0.87 {mu}m for Ar*) is demonstrated via the atomic diffraction by a non-magnetic 2{mu}m-period reflection grating. The combination of the non-scalar van der Waals (vdW) interaction with the Zeeman interaction generated by a static magnetic field gives rise to ''vdW-Zeeman'' transitions among Zeeman sub-levels. Exo-energetic transitions of this type are observed with Ne*(3P2) atoms traversing a copper micro-slit grating. They can be used as a tunable beam splitter in an inelastic Fresnel bi-prism atom interferometer.

  11. Manipulation of Ultracold Atoms using Double-Loop Microtraps

    NASA Astrophysics Data System (ADS)

    van Wijngaarden, William; Jian, Bin; Mouraviev, Andrei

    2016-05-01

    Ultracold atoms created using microtraps are being used in an increasing number of diverse applications. This talk discusses exciting work demonstrating a double-loop microtrap which consists of two concentric circular wire loops carrying oppositely oriented currents. This generates a magnetic field configuration that traps a magnetic dipole in three dimensions. The position of the trapped atoms relative to the atom chip surface containing the microwire loops, can be precisely controlled by applying different currents in the two lops or alternatively using a so called bias magnetic field oriented perpendicular to the chip surface. An important advantage of the double-loop microtrap is that it can be daisy chained in series to create a one or two dimensional microtrap array. Future possibilities are presented as to how atoms can be transferred between adjacent microtraps as well as the use of an additional micro sized Ioffe coil to create a trap having a nonzero magnetic field minimum to reduce atom loss by suppressing Majorana transitions.

  12. Manipulation of ultracold atoms using double-loop microtraps

    NASA Astrophysics Data System (ADS)

    van Wijngaarden, W. A.; Jian, B.; Mouraviev, A.

    2016-05-01

    Ultracold atoms created using microtraps are being used in an increasing number of diverse applications. This paper reviews the double-loop microtrap which consists of two concentric circular wire loops carrying oppositely oriented currents. This generates a magnetic field configuration that traps a magnetic dipole in three-dimensions. The position of the trapped atoms relative to the atom chip surface containing the microwire loops, can be precisely controlled by applying different currents in the two loops or alternatively using a so called bias magnetic field oriented perpendicular to the chip surface. Double-loop microtraps can be daisy chained in series to create a one- or two-dimensional microtrap array. Experiments that have demonstrated a double-loop microtrap array are discussed. Future possibilities are presented as to how atoms can be transferred between adjacent microtraps as well as the use of an additional micro sized Ioffe coil to create a trap having a nonzero magnetic field minimum to reduce atom loss by suppressing Majorana transitions.

  13. Prediction of conformationally dependent atomic multipole moments in carbohydrates.

    PubMed

    Cardamone, Salvatore; Popelier, Paul L A

    2015-12-15

    The conformational flexibility of carbohydrates is challenging within the field of computational chemistry. This flexibility causes the electron density to change, which leads to fluctuating atomic multipole moments. Quantum Chemical Topology (QCT) allows for the partitioning of an "atom in a molecule," thus localizing electron density to finite atomic domains, which permits the unambiguous evaluation of atomic multipole moments. By selecting an ensemble of physically realistic conformers of a chemical system, one evaluates the various multipole moments at defined points in configuration space. The subsequent implementation of the machine learning method kriging delivers the evaluation of an analytical function, which smoothly interpolates between these points. This allows for the prediction of atomic multipole moments at new points in conformational space, not trained for but within prediction range. In this work, we demonstrate that the carbohydrates erythrose and threose are amenable to the above methodology. We investigate how kriging models respond when the training ensemble incorporating multiple energy minima and their environment in conformational space. Additionally, we evaluate the gains in predictive capacity of our models as the size of the training ensemble increases. We believe this approach to be entirely novel within the field of carbohydrates. For a modest training set size of 600, more than 90% of the external test configurations have an error in the total (predicted) electrostatic energy (relative to ab initio) of maximum 1 kJ mol(-1) for open chains and just over 90% an error of maximum 4 kJ mol(-1) for rings.

  14. Hybrid atom-membrane optomechanics

    NASA Astrophysics Data System (ADS)

    Treutlein, Philipp

    We have realized a hybrid mechanical system in which ultracold atoms and a micromechanical membrane are coupled by radiation pressure forces. The atoms are trapped in an optical lattice, formed by retro-reflection of a laser beam from an optical cavity that contains the membrane as mechanical element. When we laser cool the atoms, we observe that the membrane is sympathetically cooled from ambient to millikelvin temperatures through its interaction with the atoms. Sympathetic cooling with ultracold atoms or ions has previously been used to cool other microscopic systems such as atoms of a different species or molecular ions up to the size of proteins. Here we use it to efficiently cool the fundamental vibrational mode of a macroscopic solid-state system, whose mass exceeds that of the atomic ensemble by ten orders of magnitude. Our hybrid system operates in a regime of large atom-membrane cooperativity. With technical improvements such as cryogenic pre-cooling of the membrane, it enables ground-state cooling and quantum control of mechanical oscillators in a regime where purely optomechanical techniques cannot reach the ground state. References: A. Jöckel, A. Faber, T. Kampschulte, M. Korppi, M. T. Rakher, and P. Treutlein, Sympathetic cooling of a membrane oscillator in a hybrid mechanical-atomic system, Nature Nanotechnology 10, 55 (2015). B. Vogell, T. Kampschulte, M. T. Rakher, A. Faber, P. Treutlein, K. Hammerer, and P. Zoller, Long distance coupling of a quantum mechanical oscillator to the internal states of an atomic ensemble, New J. Phys. 17, 043044 (2015). B. Vogell, K. Stannigel, P. Zoller, K. Hammerer, M. T. Rakher, M. Korppi, A. Jöckel, and P. Treutlein, Cavity-enhanced long-distance coupling of an atomic ensemble to a micromechanical membrane, Phys. Rev. A 87, 023816 (2013).

  15. Characterization of esterified cassava starch with long alkyl side chains and different substitution degrees.

    PubMed

    Barrios, Simón E; Giammanco, Giuseppe; Contreras, Jesús M; Laredo, Estrella; López-Carrasquero, Francisco

    2013-08-01

    The present work describes the characterization and thermal properties of hydrophobic starch obtained by the esterification of cassava starch with acyl imidazoles, acid chlorides and methyl ester derivatives of fatty acids with n-alkyl chains with 12-22 carbon atoms, in order to compare the dependence of their properties as a function of the length of the side chain and the methodology used for their synthesis. The n-acyl starches presented degrees of substitution (DS) between 0.06 and 1.2. Most of the derivatives obtained with acyl imidazoles were found to be stable at temperatures up to 300°C, whereas those synthesized with acid chlorides or methyl ester decomposed below. Finally, when the n-acyl starches were substituted with n-alkyl side chains of 16 or more carbon atoms, they were capable to crystallize in separate paraffinic phases independent of the starch backbone.

  16. Thermodynamic analysis of chain-melting transition temperatures for monounsaturated phospholipid membranes: dependence on cis-monoenoic double bond position.

    PubMed Central

    Marsh, D

    1999-01-01

    Unsaturated phospholipid is the membrane component that is essential to the dynamic environment needed for biomembrane function. The dependence of the chain-melting transition temperature, T(t), of phospholipid bilayer membranes on the position, n(u), of the cis double bond in the glycerophospholipid sn-2 chain can be described by an expression of the form T(t) = T(t)(c)(1 + h'(c)|n(u) - n(c)|)/(1 + s'(c)|n(u) - n(c)|), where n(c) is the chain position of the double bond corresponding to the minimum transition temperature, T(t)(c), for constant diacyl lipid chain lengths. This implies that the incremental transition enthalpy (and entropy) contributed by the sn-2 chain is greater for whichever of the chain segments, above or below the double-bond position, is the longer. The critical position, n(c), of the double bond is offset from the center of the sn-2 chain by an approximately constant amount, deltan(c) approximately 1. 5 C-atom units. The dependence of the parameters T(t)(c), h'(c), and s'(c) on sn-1 and sn-2 chain lengths can be interpreted consistently when allowance is made for the chain packing mismatch between the sn-1 and sn-2 chains. The length of the sn-2 chain is reduced by approximately 0.8 C-atom units by the cis double bond, in addition to a shortening by approximately 1.3 C-atom units by the bent configuration at the C-2 position. Based on this analysis, a general thermodynamic expression is proposed for the dependence of the chain-melting transition temperature on the position of the cis double bond and on the sn-1 and sn-2 chain lengths. The above treatment is restricted mostly to double-bond positions close to the center of the sn-2 chain. For double bonds positioned closer to the carboxyl or terminal methyl ends of the sn-2 chain, the effects on transition enthalpy can be considerably larger. They may be interpreted by the same formalism, but with different characteristic parameters, h'(c) and s'(c), such that the shorter of the chain segments

  17. Semiflexible chains in confined spaces

    NASA Astrophysics Data System (ADS)

    Morrison, Greg; Thirumalai, D.

    2009-01-01

    We develop an analytical method for studying the properties of a noninteracting wormlike chain (WLC) in confined geometries. The mean-field-like theory replaces the rigid constraints of confinement with average constraints, thus allowing us to develop a tractable method for treating a WLC wrapped on the surface of a sphere, and fully encapsulated within it. The efficacy of the theory is established by reproducing the exact correlation functions for a WLC confined to the surface of a sphere. In addition, the coefficients in the free energy are exactly calculated. We also describe the behavior of a surface-confined chain under external tension that is relevant for single molecule experiments on histone-DNA complexes. The force-extension curves display spatial oscillations, and the extension of the chain, whose maximum value is bounded by the sphere diameter, scales as f-1 at large forces, in contrast to the unconfined chain that approaches the contour length as f-1/2 . A WLC encapsulated in a sphere, that is relevant for the study of the viral encapsulation of DNA, can also be treated using the mean-field approach. The predictions of the theory for various correlation functions are in excellent agreement with Langevin simulations. We find that strongly confined chains are highly structured by examining the correlations using a local winding axis. The predicted pressure of the system is in excellent agreement with simulations but, as is known, is significantly lower than the pressures seen for DNA packaged in viral capsids.

  18. Data-driven backward chaining

    NASA Technical Reports Server (NTRS)

    Haley, Paul

    1991-01-01

    The C Language Integrated Production System (CLIPS) cannot effectively perform sound and complete logical inference in most real-world contexts. The problem facing CLIPS is its lack of goal generation. Without automatic goal generation and maintenance, forward chaining can only deduce all instances of a relationship. Backward chaining, which requires goal generation, allows deduction of only that subset of what is logically true which is also relevant to ongoing problem solving. Goal generation can be mimicked in simple cases using forward chaining. However, such mimicry requires manual coding of additional rules which can assert an inadequate goal representation for every condition in every rule that can have corresponding facts derived by backward chaining. In general, for N rules with an average of M conditions per rule the number of goal generation rules required is on the order of N*M. This is clearly intractable from a program maintenance perspective. We describe the support in Eclipse for backward chaining which it automatically asserts as it checks rule conditions. Important characteristics of this extension are that it does not assert goals which cannot match any rule conditions, that 2 equivalent goals are never asserted, and that goals persist as long as, but no longer than, they remain relevant.

  19. Atomic arrangement of alkali adatoms on the Si(001)-2 × 1 surface

    NASA Astrophysics Data System (ADS)

    Kobayashi, K.; Blügel, S.; Ishida, H.; Terakura, K.

    1991-02-01

    Adsorption sites of Na and Li on the Si(001)-2 × 1 surface at the saturation coverage are determined theoretically by using the simulated annealing method proposed by Williams and Soler. For Na, the most stable configuration is the combination of the hollow site along the dimer chain and the trough site on top of the third layer Si atom in contradiction to an earlier calculation. The substrate relaxation is a crucial factor for stabilizing this configuration. On the other hand Li atoms are adsorbed at low symmetry positions. For both of Na and Li, we observe a significant movement of the substrate atoms towards the ideal surface configuration.

  20. One-dimensional Si-in-Si(001) template for single-atom wire growth

    NASA Astrophysics Data System (ADS)

    Owen, J. H. G.; Bianco, F.; Köster, S. A.; Mazur, D.; Bowler, D. R.; Renner, Ch.

    2010-08-01

    Single atom metallic wires of arbitrary length are of immense technological and scientific interest. We present atomic-resolution scanning tunneling microscope data of a silicon-only template, which modeling predicts to enable the self-organized growth of isolated micrometer long surface and subsurface single-atom chains. It consists of a one-dimensional, defect-free Si reconstruction four dimers wide—the Haiku core—formed by hydrogenation of self-assembled Bi-nanolines on Si(001) terraces, independent of any step edges. We discuss the potential of this Si-in-Si template as an appealing alternative to vicinal surfaces for nanoscale patterning.

  1. Ion-Atom Cold Collisions and Atomic Clocks

    NASA Technical Reports Server (NTRS)

    Prestage, John D.; Maleki, Lute; Tjoelker, Robert L.

    1997-01-01

    Collisions between ultracold neutral atoms have for some time been the subject of investigation, initially with hydrogen and more recently with laser cooled alkali atoms. Advances in laser cooling and trapping of neutral atoms in a Magneto-Optic Trap (MOT) have made cold atoms available as the starting point for many laser cooled atomic physics investigations. The most spectacularly successful of these, the observation of Bose-Einstein Condensation (BEC) in a dilute ultra-cold spin polarized atomic vapor, has accelerated the study of cold collisions. Experimental and theoretical studies of BEC and the long range interaction between cold alkali atoms is at the boundary of atomic and low temperature physics. Such studies have been difficult and would not have been possible without the development and advancement of laser cooling and trapping of neutral atoms. By contrast, ion-atom interactions at low temperature, also very difficult to study prior to modern day laser cooling, have remained largely unexplored. But now, many laboratories worldwide have almost routine access to cold neutral atoms. The combined technologies of ion trapping, together with laser cooling of neutrals has made these studies experimentally feasible and several very important, novel applications might come out of such investigations . This paper is an investigation of ion-atom interactions in the cold and ultra-cold temperature regime. Some of the collisional ion-atom interactions present at room temperature are very much reduced in the low temperature regime. Reaction rates for charge transfer between unlike atoms, A + B(+) approaches A(+) + B, are expected to fall rapidly with temperature, approximately as T(sup 5/2). Thus, cold mixtures of atoms and ions are expected to coexist for very long times, unlike room temperature mixtures of the same ion-atom combination. Thus, it seems feasible to cool ions via collisions with laser cooled atoms. Many of the conventional collisional interactions

  2. Atomic Quantum Sensors in Space

    NASA Astrophysics Data System (ADS)

    van Zoest, T.; Müller, T.; Wendrich, T.; Gilowski, M.; Rasel, E. M.; Ertmer, W.; Könemann, T.; Lämmerzahl, C.; Dittus, H. J.; Vogel, A.; Bongs, K.; Sengstock, K.; Lewoczko-Adamczyk, W.; Peters, A.; Steinmetz, T.; Reichel, J.; Nandi, G.; Schleich, W.; Walser, R.

    In this article we present actual projects concerning high resolution measurements developed for future space missions based on ultracold atoms at the Institut für Quantenoptik (IQ) of the University of Hannover. This work involves the realization of a Bose-Einstein condensate in a microgravitational environment and of an inertial atomic quantum sensor.

  3. The Stair-Step Atom.

    ERIC Educational Resources Information Center

    Jordan, Thomas M.; And Others

    1992-01-01

    Presents a model of a generic atom that is used to represent the movement of electrons from lower to higher levels and vice-versa due to excitation and de-excitation of the atom. As the process of de-excitation takes place, photons represented by colored ping-pong balls are emitted, indicating the emission of light. (MDH)

  4. Fuel Injector With Shear Atomizer

    NASA Technical Reports Server (NTRS)

    Beal, George W.; Mills, Virgil L.; Smith, Durward B., II; Beacom, William F.

    1995-01-01

    Atomizer for injecting liquid fuel into combustion chamber uses impact and swirl to break incoming stream of fuel into small, more combustible droplets. Slanted holes direct flow of liquid fuel to stepped cylindrical wall. Impact on wall atomizes liquid. Air flowing past vanes entrains droplets of liquid in swirling flow. Fuel injected at pressure lower than customarily needed.

  5. Building Atoms Shell by Shell.

    ERIC Educational Resources Information Center

    Sussman, Beverly

    1993-01-01

    Describes an atom-building activity where students construct three-dimensional models of atoms using a styrofoam ball as the nucleus and pom-poms, gum drops, minimarshmallows, or other small items of two different colors to represent protons and neutrons attached. Rings of various sizes with pom-poms attached represent electron shells and…

  6. Atomic Spectroscopic Databases at NIST

    NASA Technical Reports Server (NTRS)

    Reader, J.; Kramida, A. E.; Ralchenko, Yu.

    2006-01-01

    We describe recent work at NIST to develop and maintain databases for spectra, transition probabilities, and energy levels of atoms that are astrophysically important. Our programs to critically compile these data as well as to develop a new database to compare plasma calculations for atoms that are not in local thermodynamic equilibrium are also summarized.

  7. Thin film atomic hydrogen detectors

    NASA Technical Reports Server (NTRS)

    Gruber, C. L.

    1977-01-01

    Thin film and bead thermistor atomic surface recombination hydrogen detectors were investigated both experimentally and theoretically. Devices were constructed on a thin Mylar film substrate. Using suitable Wheatstone bridge techniques sensitivities of 80 microvolts/2x10 to the 13th power atoms/sec are attainable with response time constants on the order of 5 seconds.

  8. Fast Atom Bombardment Mass Spectrometry.

    ERIC Educational Resources Information Center

    Rinehart, Kenneth L., Jr.

    1982-01-01

    Discusses reactions and characteristics of fast atom bombardment (FAB) mass spectroscopy in which samples are ionized in a condensed state by bombardment with xenon or argon atoms, yielding positive/negative secondary ions. Includes applications of FAB to structural problems and considers future developments using the technique. (Author/JN)

  9. Algorithms for international atomic time.

    PubMed

    Panfilo, Gianna; Arias, E Felicitas

    2010-01-01

    This article reviews the creation and technical evolution of atomic time scales. In particular, we focus our attention on the method of calculation and the characteristics of International Atomic Time (TAI), and show how it is disseminated at the ultimate level of precision.

  10. Chain reconfiguration in active noise

    NASA Astrophysics Data System (ADS)

    Samanta, Nairhita; Chakrabarti, Rajarshi

    2016-05-01

    In a typical single molecule experiment, the dynamics of an unfolded protein is studied by determining the reconfiguration time using long-range Förster resonance energy transfer, where the reconfiguration time is the characteristic decay time of the position correlation between two residues of the protein. In this paper we theoretically calculate the reconfiguration time for a single flexible polymer in the presence of active noise. The study suggests that though the mean square displacement grows faster, the chain reconfiguration is always slower in the presence of long-lived active noise with exponential temporal correlation. Similar behavior is observed for a worm-like semi-flexible chain and a Zimm chain. However it is primarily the characteristic correlation time of the active noise and not the strength that controls the increase in the reconfiguration time. In brief, such active noise makes the polymer move faster but the correlation loss between the monomers becomes slow.

  11. Ligand chain length conveys thermochromism.

    PubMed

    Ganguly, Mainak; Panigrahi, Sudipa; Chandrakumar, K R S; Sasmal, Anup Kumar; Pal, Anjali; Pal, Tarasankar

    2014-08-14

    Thermochromic properties of a series of non-ionic copper compounds have been reported. Herein, we demonstrate that Cu(II) ion with straight-chain primary amine (A) and alpha-linolenic (fatty acid, AL) co-jointly exhibit thermochromic properties. In the current case, we determined that thermochromism becomes ligand chain length-dependent and at least one of the ligands (A or AL) must be long chain. Thermochromism is attributed to a balanced competition between the fatty acids and amines for the copper(II) centre. The structure-property relationship of the non-ionic copper compounds Cu(AL)2(A)2 has been substantiated by various physical measurements along with detailed theoretical studies based on time-dependent density functional theory. It is presumed from our results that the compound would be a useful material for temperature-sensor applications.

  12. Atom mapping with constraint programming.

    PubMed

    Mann, Martin; Nahar, Feras; Schnorr, Norah; Backofen, Rolf; Stadler, Peter F; Flamm, Christoph

    2014-01-01

    Chemical reactions are rearrangements of chemical bonds. Each atom in an educt molecule thus appears again in a specific position of one of the reaction products. This bijection between educt and product atoms is not reported by chemical reaction databases, however, so that the "Atom Mapping Problem" of finding this bijection is left as an important computational task for many practical applications in computational chemistry and systems biology. Elementary chemical reactions feature a cyclic imaginary transition state (ITS) that imposes additional restrictions on the bijection between educt and product atoms that are not taken into account by previous approaches. We demonstrate that Constraint Programming is well-suited to solving the Atom Mapping Problem in this setting. The performance of our approach is evaluated for a manually curated subset of chemical reactions from the KEGG database featuring various ITS cycle layouts and reaction mechanisms.

  13. Quantum Electrodynamics of Atomic Resonances

    NASA Astrophysics Data System (ADS)

    Ballesteros, Miguel; Faupin, Jérémy; Fröhlich, Jürg; Schubnel, Baptiste

    2015-07-01

    A simple model of an atom interacting with the quantized electromagnetic field is studied. The atom has a finite mass m, finitely many excited states and an electric dipole moment, , where and is proportional to the elementary electric charge. The interaction of the atom with the radiation field is described with the help of the Ritz Hamiltonian, , where is the electric field, cut off at large frequencies. A mathematical study of the Lamb shift, the decay channels and the life times of the excited states of the atom is presented. It is rigorously proven that these quantities are analytic functions of the momentum of the atom and of the coupling constant , provided and and are sufficiently small. The proof relies on a somewhat novel inductive construction involving a sequence of `smooth Feshbach-Schur maps' applied to a complex dilatation of the original Hamiltonian, which yields an algorithm for the calculation of resonance energies that converges super-exponentially fast.

  14. Relativistic effects in atom gravimeters

    NASA Astrophysics Data System (ADS)

    Tan, Yu-Jie; Shao, Cheng-Gang; Hu, Zhong-Kun

    2017-01-01

    Atom interferometry is currently developing rapidly, which is now reaching sufficient precision to motivate laboratory tests of general relativity. Thus, it is extremely significant to develop a general relativistic model for atom interferometers. In this paper, we mainly present an analytical derivation process and first give a complete vectorial expression for the relativistic interferometric phase shift in an atom interferometer. The dynamics of the interferometer are studied, where both the atoms and the light are treated relativistically. Then, an appropriate coordinate transformation for the light is performed crucially to simplify the calculation. In addition, the Bordé A B C D matrix combined with quantum mechanics and the "perturbation" approach are applied to make a methodical calculation for the total phase shift. Finally, we derive the relativistic phase shift kept up to a sensitivity of the acceleration ˜1 0-14 m/s 2 for a 10 -m -long atom interferometer.

  15. Hyperthermal atomic oxygen generator

    NASA Technical Reports Server (NTRS)

    Khandelwal, Govind S.; Wu, Dongchuan

    1990-01-01

    Characterization of the transport properties of oxygen through silver was continued. Specifically, experiments measuring the transport through Ag(111), Ag(110), Ag(100) single crystals and through Ag0.05 Zr alloy were completed. In addition, experiments using glow discharge excitation of oxygen to assist in the transport were completed. It was found that the permeability through the different orientations of single crystal Ag was the same, but significant differences existed in the diffusivity. The experimental ratio of diffusivities, however, was in reasonable agreement with theoretical estimates. Since the solubilities of orientations must be the same, this suggests some problems with the assumption K = DS. The glow discharge experiments show that there is a substantial increase in transport (factor of six) when the upstream pressure is dissociated to some fraction of atoms (which have a much higher sticking coefficient). These results indicate that there is a significant surface limitation because of dissociative adsorption of the molecules. Experiments with the Ag0.05 Zr alloy and its high-grain boundary and defect density show a permeability of greater than a factor of two over ordinary polycrystalline Ag, but it is unclear as to whether this is because of enhanced transport through these defects or whether the Zr and defects on the surface increased the sticking coefficient and therefore the transport.

  16. Atoms in flux

    SciTech Connect

    Damian, M.

    1996-07-01

    In 1953, President Eisenhower offered the United Nations his vision for peaceful uses of atomic energy, which included the construction of nuclear power plants to generate electricity. However, in the four decades since the infancy of the nuclear-energy industry, its creators` dream of cheap, abundant, and safe source of energy has not been fully realized, says Michel Damian, research associate with the Institut d`Economie et de Politique de l`Energie in France. Though some observers cite such nuclear mishaps as Three Mile Island and Chernobyl as the reason for the slowdown in the nuclear industry, Damian lays the blame largely on the inflated estimates of the future need for electricity made in the 1960`s. {open_quotes}In fact, declining demand for electricity may be a more critical factor in the slow growth of commercial nuclear power worldwide than the poor track record of nuclear power-plant construction and operation,{close_quotes} he notes. No clear resolution to the woes of the nuclear-energy industry is in sight, Damian says. {open_quotes}Indeed, that will occur only when engineers design a risk-free reactor and find a safe, long-term disposal method for nuclear waste.{close_quotes}

  17. Collisional atomic mixing

    NASA Astrophysics Data System (ADS)

    Biersack, Jochen P.

    The collisional mixing of thin metal markers in silicon is investigated with the computer program TRIM-DYNAMIC (T-DYN). This code assumes that at high dose irradiation, the substrate Si or Ge, will get fully amorphized, and the recoil atom can stop in any position after slowing down below a certain final energy Ef (taken here as 3 eV). In order to avoid chemical effects, the system Au marker in a silicon matrix was chosen for the TRIM simulation. The results are in good agreement with the experimental findings, as compiled in the review article by Paine and Averback. Similar collisional mixing effects occur in the process of SIMS or Auger electron depth profiling, and cannot be avoided. An example is given here for a thin layer of arsenic vapor deposited on Si and covered by amorphous silicon. The analysing ion beam in this case was 14.5 keV Cs+ incident at 37° towards the surface normal. In comparison with the SIMS measurements by modern depth profiling equipment, again good agreement was found between the T-DYN results and the experiment.

  18. Deep atomic force microscopy

    SciTech Connect

    Barnard, H.; Drake, B.; Randall, C.; Hansma, P. K.

    2013-12-15

    The Atomic Force Microscope (AFM) possesses several desirable imaging features including the ability to produce height profiles as well as two-dimensional images, in fluid or air, at high resolution. AFM has been used to study a vast selection of samples on the scale of angstroms to micrometers. However, current AFMs cannot access samples with vertical topography of the order of 100 μm or greater. Research efforts have produced AFM scanners capable of vertical motion greater than 100 μm, but commercially available probe tip lengths are still typically less than 10 μm high. Even the longest probe tips are below 100 μm and even at this range are problematic. In this paper, we present a method to hand-fabricate “Deep AFM” probes with tips of the order of 100 μm and longer so that AFM can be used to image samples with large scale vertical topography, such as fractured bone samples.

  19. Leading a supply chain turnaround.

    PubMed

    Slone, Reuben E

    2004-10-01

    Just five years ago, salespeople at Whirlpool were in the habit of referring to their supply chain organization as the "sales disablers." Now the company excels at getting products to the right place at the right time--while managing to keep inventories low. How did that happen? In this first-person account, Reuben Slone, Whirlpool's vice president of Global Supply Chain, describes how he and his colleagues devised the right supply chain strategy, sold it internally, and implemented it. Slone insisted that the right focal point for the strategy was the satisfaction of consumers at the end of the supply chain. Most supply chain initiatives do the opposite: They start with the realities of a company's manufacturing base and proceed from there. Through a series of interviews with trade customers large and small, his team identified 27 different capabilities that drove industry perceptions of Whirlpool's performance. Knowing it was infeasible to aim for world-class performance across all of them, Slone weighed the costs of excelling at each and found the combination of initiatives that would provide overall competitive advantage. A highly disciplined project management office and broad training in project management were key to keeping work on budget and on benefit. Slone set an intense pace--three "releases" of new capabilities every month--that the group maintains to this day. Lest this seem like a technology story, however, Slone insists it is just as much a "talent renaissance." People are proud today to be part of Whirlpool's supply chain organization, and its new generation of talent will give the company a competitive advantage for years to come.

  20. The Atomic and Nuclear Physics of Atomic EDMs

    NASA Astrophysics Data System (ADS)

    Chupp, Timothy

    2016-09-01

    Atomic Electric-Dipole-Moment (EDM) measurements employ low-energy atomic and precision-measurement techniques to measure the effects of elementary particle forces that affect the distribution of charge and mass in the nucleus, which is probed by the atomic electrons. Experiments and their interpretation strongly overlap atomic and nuclear physics in the experimental and theoretical problems presented. On the experimental side, the atomic EDM couples to electric fields while the magnetic dipole moment couples to magnetic fields requiring exquisite control and characerization of the magnetic fields. Measuring the tiny frequency shifts requires clock-comparisons and a large signal-to-noise ratio for frequency resolution much smaller than the linewidths, which are lmitied by observation times. To address the experimental challenges, I will discuss systematic effects related to magnetic fields and techniques of magnetometry and co-magntometery as well as optical pumping and related techniques that enhance signal-to-noise. I will also address the interpretation of atomic EDMs in terms of a set of low-energy parameters that relate to effective-field-theory coefficients, and I will empshaize the need for improved calculations from both atomic-theory and nuclear theory.