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Sample records for 1d zigzag chain

  1. 1D ferrimagnetism in homometallic chains

    NASA Astrophysics Data System (ADS)

    Coronado, E.; Gómez-García, C. J.; Borrás-Almenar, J. J.

    1990-05-01

    The magnetic properties of the cobalt zigzag chain Co(bpy)(NCS)2 (bpy=2,2'-bipyridine) are discussed on the basis of an Ising-chain model that takes into account alternating Landé factors. It is emphasized, for the first time, that a homometallic chain containing only one type of site can give rise to a 1D ferrimagneticlike behavior.

  2. Hierarchical looping of zigzag nucleosome chains in metaphase chromosomes

    PubMed Central

    Grigoryev, Sergei A.; Bascom, Gavin; Buckwalter, Jenna M.; Schubert, Michael B.; Woodcock, Christopher L.; Schlick, Tamar

    2016-01-01

    The architecture of higher-order chromatin in eukaryotic cell nuclei is largely unknown. Here, we use electron microscopy-assisted nucleosome interaction capture (EMANIC) cross-linking experiments in combination with mesoscale chromatin modeling of 96-nucleosome arrays to investigate the internal organization of condensed chromatin in interphase cell nuclei and metaphase chromosomes at nucleosomal resolution. The combined data suggest a novel hierarchical looping model for chromatin higher-order folding, similar to rope flaking used in mountain climbing and rappelling. Not only does such packing help to avoid tangling and self-crossing, it also facilitates rope unraveling. Hierarchical looping is characterized by an increased frequency of higher-order internucleosome contacts for metaphase chromosomes compared with chromatin fibers in vitro and interphase chromatin, with preservation of a dominant two-start zigzag organization associated with the 30-nm fiber. Moreover, the strong dependence of looping on linker histone concentration suggests a hierarchical self-association mechanism of relaxed nucleosome zigzag chains rather than longitudinal compaction as seen in 30-nm fibers. Specifically, concentrations lower than one linker histone per nucleosome promote self-associations and formation of these looped networks of zigzag fibers. The combined experimental and modeling evidence for condensed metaphase chromatin as hierarchical loops and bundles of relaxed zigzag nucleosomal chains rather than randomly coiled threads or straight and stiff helical fibers reconciles aspects of other models for higher-order chromatin structure; it constitutes not only an efficient storage form for the genomic material, consistent with other genome-wide chromosome conformation studies that emphasize looping, but also a convenient organization for local DNA unraveling and genome access. PMID:26787893

  3. Hierarchical looping of zigzag nucleosome chains in metaphase chromosomes.

    PubMed

    Grigoryev, Sergei A; Bascom, Gavin; Buckwalter, Jenna M; Schubert, Michael B; Woodcock, Christopher L; Schlick, Tamar

    2016-02-01

    The architecture of higher-order chromatin in eukaryotic cell nuclei is largely unknown. Here, we use electron microscopy-assisted nucleosome interaction capture (EMANIC) cross-linking experiments in combination with mesoscale chromatin modeling of 96-nucleosome arrays to investigate the internal organization of condensed chromatin in interphase cell nuclei and metaphase chromosomes at nucleosomal resolution. The combined data suggest a novel hierarchical looping model for chromatin higher-order folding, similar to rope flaking used in mountain climbing and rappelling. Not only does such packing help to avoid tangling and self-crossing, it also facilitates rope unraveling. Hierarchical looping is characterized by an increased frequency of higher-order internucleosome contacts for metaphase chromosomes compared with chromatin fibers in vitro and interphase chromatin, with preservation of a dominant two-start zigzag organization associated with the 30-nm fiber. Moreover, the strong dependence of looping on linker histone concentration suggests a hierarchical self-association mechanism of relaxed nucleosome zigzag chains rather than longitudinal compaction as seen in 30-nm fibers. Specifically, concentrations lower than one linker histone per nucleosome promote self-associations and formation of these looped networks of zigzag fibers. The combined experimental and modeling evidence for condensed metaphase chromatin as hierarchical loops and bundles of relaxed zigzag nucleosomal chains rather than randomly coiled threads or straight and stiff helical fibers reconciles aspects of other models for higher-order chromatin structure; it constitutes not only an efficient storage form for the genomic material, consistent with other genome-wide chromosome conformation studies that emphasize looping, but also a convenient organization for local DNA unraveling and genome access. PMID:26787893

  4. Encapsulating "armchair" carbon nanotubes with "zigzag" chains of Fe atoms

    NASA Astrophysics Data System (ADS)

    Boutko, V. G.; Gusev, A. A.; Shevtsova, T. N.; Pashkevich, Yu. G.

    2016-05-01

    Ab initio calculations of structural, electron, and magnetic properties of "armchair" carbon nanotubes (NT) encapsulated by a "zigzag" chain of Fe atoms Fe2@(n,n)m (m = 1, 2; n = 4, 5, 6, 7, 8, 9), are performed within the framework of the density functional theory. It is shown that optimizing the structure along the NT axis can significantly impact the binding energy of the NT and the Fe atom chain. It follows from the calculations that Fe2@(5,5) is the most stable of all the investigated encapsulated nanotubes. A two-fold decrease in the concentration of Fe in an encapsulated NT converts the system from exothermic to endothermic (Fe2@(5,5)m) and vice versa (Fe2@(6,6)m)). For large radii of an encapsulated NT (>4.13 Å) the binding energy of the NT and the Fe atom chain goes to zero, and the magnetic moments of the Fe atoms and the deviation of the Fe atoms from the NT axis go toward analogous values of the free "zigzag" Fe atom chain.

  5. Fast and slow light in zigzag microring resonator chains.

    PubMed

    Chamorro-Posada, P; Fraile-Pelaez, F J

    2009-03-01

    We analyze fast- and slow-light transmission in a zigzag microring resonator chain. In the superluminal case, a new light-transmission effect is found whereby the input optical pulse is reproduced in an almost-simultaneous manner at the various system outputs. When the input carrier is tuned to a different frequency, the system permits to slow down the propagating optical signal. Between these two extreme cases, the relative delay can be tuned within a broad range. We propose, and analyze numerically, a laser-array configuration for the stable operation of active devices. PMID:19252573

  6. Quench dynamics of two coupled zig-zag ion chains

    NASA Astrophysics Data System (ADS)

    Klumpp, Andrea; Liebchen, Benno; Schmelcher, Peter

    2016-08-01

    We explore the non-equilibrium dynamics of two coupled zig-zag chains of trapped ions in a double well potential. Following a quench of the potential barrier between both wells, the induced coupling between both chains due to the long-range interaction of the ions leads to the complete loss of order in the radial direction. The resulting dynamics is however not exclusively irregular but leads to phases of motion during which various ordered structures appear with ions arranged in arcs, lines and crosses. We quantify the emerging order by introducing a suitable measure and complement our analysis of the ion dynamics using a normal mode analysis showing a decisive population transfer between only a few distinguished modes.

  7. Entanglement Entropy in 1-D integrable chains

    NASA Astrophysics Data System (ADS)

    Franchini, Fabio; Evangelisti, Stefano; Ercolessi, Elisa; Ravanini, Francesco; de Luca, Andrea

    2012-02-01

    We study analytically the Renyi entropy of a bipartite lattice in the limit of two semi-infinite chains joined at the origin, for a few integrable 1-dimensional models, by using the techniques of Corner Transfer Matrices of the corresponding 2-D classical systems, namely the 8-vertex model and the RSOS. In the scaling limit, close to a conformal point, we reproduce the leading behavior expected from CFT prediction. The sub-leading corrections, however, differ from na"ive expectations and we show that lattice effect can give rise to additional relevant terms in any numerical approach. Moreover, in the vicinity of a non-conformal (ferromagnetic) point, we observe a violation of universality and a behavior of the entropy characteristic of an essential singularity.

  8. Pressure-induced zigzag phosphorus chain and superconductivity in boron monophosphide

    PubMed Central

    Zhang, Xinyu; Qin, Jiaqian; Liu, Hanyu; Zhang, Shiliang; Ma, Mingzhen; Luo, Wei; Liu, Riping; Ahuja, Rajeev

    2015-01-01

    We report on the prediction of the zinc-blende structure BP into a novel C2/m phase from 113 to 208 GPa which possesses zigzag phosphorus chain structure, followed by another P42/mnm structure above 208 GPa above using the particle-swarm search method. Strong electron-phonon coupling λ in compressed BP is found, in particular for C2/m phase with the zigzag phosphorus chain, which has the highest λ (0.56–0.61) value among them, leading to its high superconducting critical temperature Tc (9.4 K–11.5 K), which is comparable with the 4.5 K to 13 K value of black phosphorus phase I (orthorhombic, Cmca). This is the first system in the boron phosphides which shows superconductivity from the present theoretical calculations. Our results show that pressure-induced zigzag phosphorus chain in BP exhibit higher superconducting temperature TC, opening a new route to search and design new superconductor materials with zigzag phosphorus chains. PMID:25737341

  9. Kibble-Zurek Mechanism in Topologically Nontrivial Zigzag Chains of Polariton Micropillars.

    PubMed

    Solnyshkov, D D; Nalitov, A V; Malpuech, G

    2016-01-29

    We consider a zigzag chain of coupled micropillar cavities, taking into account the polarization of polariton states. We show that the TE-TM splitting of photonic cavity modes yields topologically protected polariton edge states. During the strongly nonadiabatic process of polariton condensation, the Kibble-Zurek mechanism leads to a random choice of polarization, equivalent to the dimerization of polymer chains. We show that dark-bright solitons appear as domain walls between polarization domains, analogous to the Su-Schrieffer-Heeger solitons in polymers. The soliton density scales as a power law with respect to the quenching parameter. PMID:26871346

  10. Magnetic behavior of some 1D Cu chains

    NASA Astrophysics Data System (ADS)

    Willett, Roger D.; Gomez-García, Carlos J.; Ghosh, Ashutosh

    2004-05-01

    The magnetic properties of three 1D copper(II) salts are reported. The compound Cu(14ane)Cu(N 3) 4 contains alternating site chains with weak FM coupling with J/k=0.635 K . Magnetization studies are reported on Cu(TIM)CuCl 4, an alternating site, alternating FM/AFM exchange system with J FM/k=29.7 K and J AFM/k=-8.66 K. (HPy) 2Cu 3Cl 8.2H 2O contains FM chains composed of alternating Cu 2Cl 62- dimers and CuCl 2(H 2O) 2 monomers, with intradimer coupling J 1/k=17.35 K and dimer-monomer coupling J 2/k=1.93 K .

  11. MX chains: 1-D analog of CuO planes

    SciTech Connect

    Gammel, J.T.; Batistic, I.; Bishop, A.R.; Loh, E.Y. Jr.; Marianer, S.

    1989-01-01

    We study a two-band Peierls-Hubbard model for halogen-bridged mixed-valence transition metal linear chain complexes (MX chains). We include electron-electron correlations (both Hubbard and PPP-like expressions) using several techniques including calculations in the zero-hopping limit, exact diagonalization of small systems, mean field approximation, and a Gutzwiller-like Ansatz for quantum phonons. The adiabatic optical absorption and phonon spectra for both photo-excited and doping induced defects (kinks, polarons, bipolarons, and excitons) are discussed. A long period phase which occurs even at commensurate filling for certain parameter values may be related to twinning. The effect of including the electron-phonon in addition to the electron-electron interaction on the polaron/bipolaron (pairing) competition is especially interesting when this class of compounds is viewed as a 1-D analog of high-temperature superconductors. 6 refs., 4 figs.

  12. Structural and electronic properties of a single Si chain doped zigzag AlN nanoribbon

    NASA Astrophysics Data System (ADS)

    Zhang, Jian-Min; Zhang, Jing; Xu, Ke-Wei

    2015-04-01

    The first-principles projector-augmented wave (PAW) potentials within the density function theory (DFT) framework have been used to determine the geometry structures and electronic properties of the zigzag edge AlN nanoribbons (ZAlNNRs) doped with a single Si chain under generalized gradient approximation (GGA). The average Al-Si, Si-Si, Al-N, Si-N, Al-H and N-H bond lengths are 2.39, 2.16, 1.83, 1.74, 1.59 and 1.03 Å, respectively. Pure 7-ZAlNNR is an indirect semiconductor with a large band gap of 2.235 eV, while a semiconductor to metal transformation is taken place after a single Si chain substituting for a single Al-N chain at various positions. In pure 7-ZAlNNR, the HVB and LCB are mainly attributed to the edge N and Al atoms, respectively, while in a single Si chain substituting doped 7-ZAlNNR, the HVB and LCB are mainly attributed to the Si atoms. The Al-N, Al-H and Al-Si bonds are ionic bond, the Si-Si and Si-H bonds are covalent bond, the N-H and N-Si bonds are covalent bond modified ionic bond.

  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. Internal magnetic field in the zigzag-chain family (Na,Ca)Cr2O4

    NASA Astrophysics Data System (ADS)

    Nozaki, H.; Sakurai, H.; Harada, M.; Higuchi, Y.; Brewer, J. H.; Ansaldo, E. J.; Sugiyama, J.

    2014-12-01

    In order to elucidate the magnetic nature for a novel one-dimensional zigzag chain compound, NaCr2O4, we have measured μ+SR spectra using a powder sample in the temperature range between 2 and 200 K. Weak transverse field (wTF-) μ+SR measurements indicated that the whole volume of the sample enters into an antiferromagnetic (AF) phase below TN = 125 K. The zero field (ZF-) μ+SR spectrum obtained below TN exhibits a clear oscillation with a single muon-spin precession frequency (fμ). This suggests that static AF order is formed below TN and that all the implanted muons sense the same internal magnetic field. The temperature dependence of fμ was found to be very similar to that for the intensity of the magnetic Bragg peak in neutron diffraction (ND) measurements. On the other hand, the ZF-μ+SR spectrum for the isostructural compound, β-CaCr2O4, showed a rapidly damped oscillation below TN = 21 K, supporting the formation of incommensurate AF order, as proposed by ND.

  15. Spin-stripe phase in a frustrated zigzag spin-1/2 chain

    PubMed Central

    Pregelj, M.; Zorko, A.; Zaharko, O.; Nojiri, H.; Berger, H.; Chapon, L. C.; Arčon, D.

    2015-01-01

    Motifs of periodic modulations are encountered in a variety of natural systems, where at least two rival states are present. In strongly correlated electron systems, such behaviour has typically been associated with competition between short- and long-range interactions, for example, between exchange and dipole–dipole interactions in the case of ferromagnetic thin films. Here we show that spin-stripe textures may develop also in antiferromagnets, where long-range dipole–dipole magnetic interactions are absent. A comprehensive analysis of magnetic susceptibility, high-field magnetization, specific heat and neutron diffraction measurements unveils β-TeVO4 as a nearly perfect realization of a frustrated (zigzag) ferromagnetic spin-1/2 chain. Notably, a narrow spin-stripe phase develops at elevated magnetic fields due to weak frustrated short-range interchain exchange interactions, possibly assisted by the symmetry-allowed electric polarization. This concept provides an alternative route for the stripe formation in strongly correlated electron systems and may help understanding of other widespread, yet still elusive, stripe-related phenomena. PMID:26068618

  16. Two isotypic diphosphates Li M2H 3(P 2O 7) 2 ( M=Ni, Co) containing ferromagnetic zigzag MO 6 chains

    NASA Astrophysics Data System (ADS)

    Yang, Tao; Yang, Sihai; Liao, Fuhui; Lin, Jianhua

    2008-06-01

    Two new isotypic phosphates LiNi 2H 3(P 2O 7) 2 ( 1) and LiCo 2H 3(P 2O 7) 2 ( 2) have been hydrothermally synthesized and structurally characterized by the single-crystal X-ray diffraction technique. They crystallize in the monoclinic space group C2/ c with the lattice: a=10.925(2) Å, b=12.774(3) Å, c=8.8833(18) Å, β=123.20(3)° for 1 and a=10.999(2) Å, b=12.863(3) Å, c=8.9419(18) Å, β=123.00(3)° for 2. The transition metal atoms are octahedrally coordinated, whereas the lithium and phosphorus atoms are all tetrahedrally coordinated. As the lithium-induced derivatives of MH 2P 2O 7 ( M=Ni, Co), 1 and 2 possess the same structure with MH 2P 2O 7 in terms of topology, comprising the MO 6 zigzag chains and P 2O 7 as the interchain groups. The magnetisms of 1 and 2 could be interpreted by adopting a quasi-one-dimensional (1D) zigzag chain model as that in their parent compounds: both 1 and 2 have ferromagnetic (FM) NiO 6/CoO 6 chains; 1 shows a FM cluster glass behavior at low temperatures, which is originated from the possible antiferromagnetic (AFM) next-nearest-neighbour intrachain interactions; 2 shows a AFM ordering at TN=2.6 K and a metamagnetic transition at HC=4.2 kOe at 1.8 K.

  17. Dicynamide bridged two new zig-zag 1-D Zn(II) coordination polymers of pyrimidine derived Schiff base ligands: Synthesis, crystal structures and fluorescence studies

    NASA Astrophysics Data System (ADS)

    Konar, Saugata

    2015-07-01

    Two new zigzag 1-D polymeric Zn(II) coordination polymers {[Zn(L1)(μ1,5-dca)](H2O)}n (1), {[Zn(L2)(μ1,5-dca)](ClO4)}n (2) of two potentially tridentate NNO-, NNN-, donor Schiff base ligands [2-(2-(4,6-dimethylpyrimidin-2-yl)hydrazono)methyl)phenol] (L1), [1-(4,6-dimethylpyrimidin-2-yl)-2-(dipyridin-2ylmethylene)hydrazine] (L2) have been synthesized and characterized by elemental analyses, IR and 1H NMR, fluorescence spectroscopy and single crystal X-ray crystallography. The dicyanamide ions act as linkers (μ1,5 mode) in the formation of these coordination polymers. Both the complexes 1 and 2 have same distorted square pyramidal geometry around the Zn(II) centres. The weak forces like π⋯π, Csbnd H⋯π, anion⋯π interactions lead to various supramolecular architectures. Complex 1 shows high chelation enhanced fluorescence compared to that of 2. The fluorescence spectral changes observed high selectivity towards Zn(II) over other metal ions such as Mn(II), Co(II), Ni(II), Cu(II).

  18. Polymeric forms of carbon in dense Li2C2: from zigzag chains to cubic gauche network

    SciTech Connect

    Chen, Xingqiu; Fu, Chong Long; Franchini, C.

    2010-01-01

    Although various allotropes of carbon (e.g., diamond, nanotubes, graphene, etc.) are among the best known materials, it remains challenging to stabilize carbon in the one-dimensional form because of the difficulty to suitably saturate the dangling bonds of carbon. Here, we show through first- principles calculations that ordered polymeric carbon chains can be stabilized in solid Li2C2 under pressure. This pressure-induced phase (above 5 GPa), consisting of parallel arrays of twofold zigzag carbon chains embedded in the lithium cages, is found to be metallic, as this phase is stabilized by the presence of partially occupied carbon lone-pair states in sp2 like hybrids. With the increasing stability of near-tetrahedral sp3-like hybrids at higher pressures, an insulating cubic phase with the single-bonded threefold-coordinated carbon network is formed above 215 GPa.

  19. Co-assembly of Zn(SPh){sub 2} and organic linkers into helical and zig-zag polymer chains

    SciTech Connect

    Liu Yi; Yu Lingmin; Loo, Say Chye Joachim; Blair, Richard G.; Zhang Qichun

    2012-07-15

    Two novel one-dimensional coordination polymers, single helicate [Zn(SPh){sub 2}(TPyTA)(EG)]{sub n} (EG=ethylene glycol) (1) and zig-zag structure [Zn(SPh){sub 2}(BPyVB)]{sub n} (2), were synthesized under solvothermal conditions at 150 Degree-Sign C or room temperature by the co-assembly of Zn(SPh){sub 2} and organic linkers such as 2,4,6-tri(4-pyridyl)-1,3,5-triazine (TPyTA) and 1,3-bis(trans-4-pyridylvinyl)benzene (BPyVB). X-ray crystallography study reveals that both polymers 1 and 2 crystallize in space group P2{sub 1}/c of the monoclinic system. The solid-state UV-vis absorption spectra show that 1 and 2 have maxium absorption onsets at 400 nm and 420 nm, respectively. TGA analysis indicates that 1 and 2 are stable up to 110 Degree-Sign C and 210 Degree-Sign C. - Graphical abstract: Two novel one-dimensional coordination polymers, single helicate [Zn(SPh){sub 2}(TPyTA)(EG)]{sub n} (1) and zig-zag structure [Zn(SPh){sub 2}(BPyVB)]{sub n} (2), were synthesized. Solid-state UV-vis absorptions show that 1 and 2 have maxium absorption onsets at 400 nm and 420 nm, respectively. TGA analysis indicates that 1 and 2 are stable up to 110 Degree-Sign C and 210 Degree-Sign C. Highlights: Black-Right-Pointing-Pointer Two novel one-dimensional coordination polymers have been synthesized. Black-Right-Pointing-Pointer TPyTA results in helical structures in 1 while BPyVB leads to zig-zag chains in 2. Black-Right-Pointing-Pointer Solid-state UV-vis absorption spectra and TGA analysis of the title polymers were studied.

  20. Infinite ladder-like chains organized into a three-dimensional zigzag supramolecular architecture in 9-deazahypoxanthine.

    PubMed

    Novotná, Radka; Trávníček, Zdeněk

    2013-02-01

    The asymmetric unit of the title compound, C(6)H(5)N(3)O, consists of discrete molecules of 9-deazahypoxanthine [systematic name: 3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one]. The structure displays N-H···O hydrogen bonding, connecting the molecules into centrosymmetric dimers. These dimers are then connected by N-H···N hydrogen bonds into a ladder-like chain along the c axis. The secondary structure is stabilized by weak noncovalent contacts of the C-H···O and C-H···C types, as well as by π-π stacking interactions, which organize the structure into a zigzag architecture. PMID:23377683

  1. Cooperative microexcitations in 2+1D chain-bundle dusty plasma liquids

    SciTech Connect

    Io, C.-W.; Chan, C.-L.; Lin I

    2010-05-15

    Through direct visualization at the discrete level, the microexcitations in cold 2+1D dusty plasma liquids formed by negatively charged dusts suspended in low pressure gaseous discharges were experimentally investigated, in which the downward ion flow wake field induces strong vertical coupling and chain bundle structure. It is found that the horizontal structure and motion are similar to those of the two-dimensional liquid. Different types of basic cooperative chain excitations: straight vertical chains with small amplitude jittering, chain tilting-restraightening, bundle twisting-restraightening, and chain breaking-reconnection, are observed. The region with good (poor) horizontal structural order prefers the straight (tilted or broken) chains with little (large) titling and tilting rate.

  2. Half-metallic ferromagnetism in Fe-chain-embedded zigzag boron-nitride nanoribbons with line defect

    NASA Astrophysics Data System (ADS)

    Luo, Kai-Wu; Xu, Liang; Wang, Ling-Ling; Li, Quan; Huang, Wei-Qing; Huang, Gui-Fang; Li, Xiao-Fei

    2015-11-01

    Using first-principles calculations, we investigate the electronic structures and magnetic properties of Fe-chain-embedded zigzag boron nitride nanoribbons (ZBNNRs) with different dimers (B2, N2, C2) in pentagon-octagon-pentagon line defects. The calculations show that Fe atoms spontaneously embed into the center of octagonal rings and form an atomic chain along the line defects. The ferromagnetic states are their ground state. The hydrogen-passivated systems with B2 or N2 dimers are semiconductors with small band gaps, while the C2 dimer result in half-metallic behavior. The strong interaction between the Fe-3d orbitals and the C-2p orbitals turns the ZBNNRs into half-metal from semiconductor. The half-metallic ferromagnetism are also found in other transition-metals embedded ZBNNRs, depending on the types of metals and line defects. Our results provide a means to significantly reduce the band gap of ZBNNRs, and the half-metallic ferromagnetism can be applied to devise spintronics devices.

  3. Thermoelectric transport through a zigzag like chain: Influence of the chain length, the interdot tunneling and the intradot Coulomb interaction

    NASA Astrophysics Data System (ADS)

    Li, Rui-Xue; Ni, Yun; Li, Hai-Dong; Tian, Xing-Ling; Yao, Kai-Lun; Fu, Hua-Hua

    2016-07-01

    We have studied the thermoelectric transport through a zigzaglike chain in the linear response regime using the non-equilibrium Green's function method. This model consists of the main zigzaglike chain and the side radicals coupled with the main chain at the next-near-neighbor sites. The finite-scale effect on the thermoelectric properties has been studied, our results show that thermoelectric efficiency can be enhanced by increasing the chain length. The thermopower and the figure of merit can be enhanced by strengthening the interdot tunneling coupling between the main chain and the side radicals. However, increase of the interdot tunneling coupling in the main chain can weaken the thermoelectric efficiency. Moreover, the thermoelectric efficiency is also strongly dependent on the intradot Coulomb interaction. These results can provide a guidance for the synthesis of thermal devices with high thermoelectric efficiency.

  4. Propagation of excitation in long 1D chains: Transition from regular quantum dynamics to stochastic dynamics

    SciTech Connect

    Benderskii, V. A.; Kats, E. I.

    2013-01-15

    The quantum dynamics problem for a 1D chain consisting of 2N + 1 sites (N Much-Greater-Than 1) with the interaction of nearest neighbors and an impurity site at the middle differing in energy and in coupling constant from the sites of the remaining chain is solved analytically. The initial excitation of the impurity is accompanied by the propagation of excitation over the chain sites and with the emergence of Loschmidt echo (partial restoration of the impurity site population) in the recurrence cycles with a period proportional to N. The echo consists of the main (most intense) component modulated by damped oscillations. The intensity of oscillations increases with increasing cycle number and matrix element C of the interaction of the impurity site n = 0 with sites n = {+-}1 (0 < C {<=} 1; for the remaining neighboring sites, the matrix element is equal to unity). Mixing of the components of echo from neighboring cycles induces a transition from the regular to stochastic evolution. In the regular evolution region, the wave packet propagates over the chain at a nearly constant group velocity, embracing a number of sites varying periodically with time. In the stochastic regime, the excitation is distributed over a number of sites close to 2N, with the populations varying irregularly with time. The model explains qualitatively the experimental data on ballistic propagation of the vibrational energy in linear chains of CH{sub 2} fragments and predicts the possibility of a nondissipative energy transfer between reaction centers associated with such chains.

  5. Intra-chain superexchange couplings in quasi-1D 3d transition-metal magnetic compounds.

    PubMed

    Xiang, Hongping; Tang, Yingying; Zhang, Suyun; He, Zhangzhen

    2016-07-13

    The electronic structure and magnetic properties of the quasi-1D transition-metal borates PbMBO4 (M  =  Ti, V, Cr, Mn, Fe, Co) have been investigated by density functional theory, including electronic correlation. The results evidence PbCrBO4 and PbFeBO4 as antiferromagnetic (AFM) semiconductors (intra-chain AFM and inter-chain FM) and PbMnBO4 as a ferromagnetic (FM) semiconductor (both intra- and inter-chain FM) in accordance with experimental observations. For non-synthesized PbTiBO4, PbVBO4, and PbCoBO4, the ground-state magnetic structures are paramagnetic, FM, and paramagnetic, respectively. In this series of compounds, there are two kinds of superexchange couplings dominating their magnetic properties, i.e. the direction M-M delocalization superexchange and indirect M-O-M correlation superexchange. For PbMBO4 with M (3+) d  (n) , n  ⩽  3 (M  =  V and Cr), the main intra-chain spin coupling is the M-M t 2g-t 2g direct delocalization superexchange, while for PbMBO4 with M (3+) d  (n) , n  >  3 (M  =  Mn and Fe), the main intra-chain spin coupling is the near 90° M-O-M e g-p-e g indirect correlation superexchange. PMID:27213502

  6. Intra-chain superexchange couplings in quasi-1D 3d transition-metal magnetic compounds

    NASA Astrophysics Data System (ADS)

    Xiang, Hongping; Tang, Yingying; Zhang, Suyun; He, Zhangzhen

    2016-07-01

    The electronic structure and magnetic properties of the quasi-1D transition-metal borates PbMBO4 (M  =  Ti, V, Cr, Mn, Fe, Co) have been investigated by density functional theory, including electronic correlation. The results evidence PbCrBO4 and PbFeBO4 as antiferromagnetic (AFM) semiconductors (intra-chain AFM and inter-chain FM) and PbMnBO4 as a ferromagnetic (FM) semiconductor (both intra- and inter-chain FM) in accordance with experimental observations. For non-synthesized PbTiBO4, PbVBO4, and PbCoBO4, the ground-state magnetic structures are paramagnetic, FM, and paramagnetic, respectively. In this series of compounds, there are two kinds of superexchange couplings dominating their magnetic properties, i.e. the direction M–M delocalization superexchange and indirect M–O–M correlation superexchange. For PbMBO4 with M 3+ d  n , n  ⩽  3 (M  =  V and Cr), the main intra-chain spin coupling is the M–M t 2g–t 2g direct delocalization superexchange, while for PbMBO4 with M 3+ d  n , n  >  3 (M  =  Mn and Fe), the main intra-chain spin coupling is the near 90° M–O–M e g–p–e g indirect correlation superexchange.

  7. Vibron properties in quasi 1D molecular structures: the case of two parallel unshifted macromolecuar chains

    NASA Astrophysics Data System (ADS)

    Čevizović, D.; Petković, S.; Galović, S.; Reshetnyak, A.; Chizhov, A.

    2016-01-01

    We study the hopping mechanism of the vibron excitation transport in the system of two parallel unshifted 1D macromolecuar chains in the framework of non-adiabatic polaron theory. We suppose that the vibron interaction with thermal oscillations of the macromolecular structural elements will result in vibron self-trapping and the formation of the partial dressed vibron state. We also suppose that quasiparticle motion takes place via a sequence of random sitejumps, in each of which the quasiparticle can migrate either to the first neighbor site of the macromolecular chain. With use of the modified Holstein polaron model, we calculate the vibron effective mass in dependence of the basic system parameters and temperature. Special attention is paid to the influence of interchain coupling on vibron dressing. We find that for certain values of the system parameters the quasiparticle mass abruptly changes.

  8. Chromatin higher-order structure: two-start double superhelix formed by zig-zag shaped nucleosome chain with folded linker DNA.

    PubMed

    Osipova, T N; Karpova, E V; Vorob'ev, V I

    1990-08-01

    Hydrodynamic properties of chromatins differing in linker DNA length and in transcriptional activity have been studied by the method of sedimentation velocity. Oligonucleosomes of different chain length were isolated from chromatins of pigeon brain cortical neurones, rat thymus and sea urchin sperm characterized by nucleosome DNA repeat length of 165, 198 and 248 base pairs respectively. The hydrodynamic behaviour of oligonucleosomes in the dependence on the number of nucleosomes in the chain and on the ionic strength has been analysed on the basis of cylinder model. The data obtained allows one to calculate the main structural parameters of the oligonucleosomal chain: its mass per unit length, the hydrodynamic diameter of the chain, the length of the chain per nucleosome and DNA packing ratio. It is shown that hydrodynamic behaviour of nucleosome oligomers from all types of chromatins investigated at low ionic strength can be well described by the model of three-dimensional zig-zag chain with similar diameter and length of the chain per nucleosome, DNA packing ratio growing with the increase of linker DNA length. It can be achieved by unfolding the short linker DNA in neurone chromatin and by coiling the long linker DNA of sea urchin sperm chromatin into a loop. With the increase of ionic strength zig-zag shaped nucleosomal chain is condensed into a two-start double superhelix with closely arranged nucleosomes and linker DNA loops packed inside the superhelix. The suggested model is in good agreement with available experimental data and overcomes a number of difficulties which arise for the solenoid model and other models of the 30-nm chromatin fibril. PMID:2275789

  9. TCTEX1D4 Interactome in Human Testis: Unraveling the Function of Dynein Light Chain in Spermatozoa

    PubMed Central

    Freitas, Maria João; Korrodi-Gregório, Luís; Morais-Santos, Filipa; da Cruz e Silva, Edgar

    2014-01-01

    Abstract Studies were designed to identify the TCTEX1D4 interactome in human testis, with the purpose of unraveling putative protein complexes essential to male reproduction and thus novel TCTEX1D4 functions. TCTEX1D4 is a dynein light chain that belongs to the DYNT1/TCTEX1 family. In spermatozoa, it appears to be important to sperm motility, intraflagellar transport, and acrosome reaction. To contribute to the knowledge on TCTEX1D4 function in testis and spermatozoa, a yeast two-hybrid assay was performed in testis, which allowed the identification of 40 novel TCTEX1D4 interactors. Curiously, another dynein light chain, TCTEX1D2, was identified and its existence demonstrated for the first time in human spermatozoa. Immunofluorescence studies proved that TCTEX1D2 is an intra-acrosomal protein also present in the midpiece, suggesting a role in cargo movement in human spermatozoa. Further, an in silico profile of TCTEX1D4 revealed that most TCTEX1D4 interacting proteins were not previously characterized and the ones described present a very broad nature. This reinforces TCTEX1D4 as a dynein light chain that is capable of interacting with a variety of functionally different proteins. These observations collectively contribute to a deeper molecular understanding of the human spermatozoa function. PMID:24606217

  10. Spin-liquid ground state in the frustrated J1-J2 zigzag chain system BaTb2O4

    DOE PAGESBeta

    Aczel, A. A.; Li, L.; Garlea, V. O.; Yan, J. -Q.; Weickert, F.; Zapf, V. S.; Movshovich, R.; Jaime, M.; Baker, P. J.; Keppens, V.; et al

    2015-07-13

    We have investigated polycrystalline samples of the zigzag chain system BaTb2O4 with magnetic susceptibility, heat capacity, neutron powder diffraction, and muon spin relaxation measurements. No magnetic transitions are observed in the bulk measurements, while neutron diffraction reveals low-temperature, short-range, intrachain magnetic correlations between Tb3+ ions. Muon spin relaxation measurements indicate that these correlations are dynamic, as the technique detects no signatures of static magnetism down to 0.095 K. Altogether these findings provide strong evidence for a spin liquid ground state in BaTb2O4.

  11. Markov Chain Monte Carlo Sampling Methods for 1D Seismic and EM Data Inversion

    2008-09-22

    This software provides several Markov chain Monte Carlo sampling methods for the Bayesian model developed for inverting 1D marine seismic and controlled source electromagnetic (CSEM) data. The current software can be used for individual inversion of seismic AVO and CSEM data and for joint inversion of both seismic and EM data sets. The structure of the software is very general and flexible, and it allows users to incorporate their own forward simulation codes and rockmore » physics model codes easily into this software. Although the softwae was developed using C and C++ computer languages, the user-supplied codes can be written in C, C++, or various versions of Fortran languages. The software provides clear interfaces for users to plug in their own codes. The output of this software is in the format that the R free software CODA can directly read to build MCMC objects.« less

  12. Magnetic Ground State of Novel Zigzag Chain Compounds, NaCr2O4 and Ca1-xNaxCr2O4, Determined with Muons and Neutrons

    NASA Astrophysics Data System (ADS)

    Sugiyama, Jun; Nozaki, Hiroshi; Harada, Masashi; Higuchi, Yuki; Sakurai, Hiroya; Ansaldo, Eduardo J.; Brewer, Jess H.; Keller, Lukas; Pomjakushin, Vladimir; Månsson, Martin

    The magnetic nature of a novel one-dimensional compound NaCr2O4 with zigzag CrO2 chains has been studied by muon spin rotation and relaxation (μ+SR) and neutron diffraction (ND). It is found that NaCr2O4 undergoes an antiferromagnetic transition at TN = 125 K, below which the Cr moments in each zigzag chain align ferromagnetically along the c-axis but antiferromagnetically along the a-axis between adjacent zigzag chains. For the solid solution system Ca1-xNaxCr2O4, μ+SR measurements reveal the evolution of a complex magnetic order with increasing Ca content (1-x), which finally enters into an incommensurate AF ordered state below TN = 21 for CaCr2O4.

  13. Measurement-induced disturbance and thermal negativity in 1D optical lattice chain

    SciTech Connect

    Guo, Jin-Liang; Lin-Wang; Long, Gui-Lu

    2013-03-15

    We study the measurement-induced disturbance (MID) in a 1D optical lattice chain with nonlinear coupling. Special attention is paid to the difference between the thermal entanglement and MID when considering the influences of the linear coupling constant, nonlinear coupling constant and external magnetic field. It is shown that MID is more robust than thermal entanglement against temperature T and external magnetic field B, and MID may reveal more properties about quantum correlations of the system, which can be seen from the point of view that MID can be nonzero when there is no thermal entanglement and MID can detect the critical point of quantum phase transition at finite temperature. - Highlights: Black-Right-Pointing-Pointer The nonlinear coupling constant can strengthen the quantum correlation. Black-Right-Pointing-Pointer MID is more robust than entanglement against temperature and magnetic field. Black-Right-Pointing-Pointer MID exhibits more information about quantum correlation than entanglement. Black-Right-Pointing-Pointer MID can detect the critical point of quantum phase transition at finite temperature.

  14. Quantum Creep and Quantum-Creep Transitions in 1D Sine-Gordon Chains.

    PubMed

    Krajewski, Florian R; Müser, Martin H

    2004-01-23

    Discrete sine-Gordon (SG) chains are studied with path-integral molecular dynamics. Chains commensurate with the substrate show the transition from pinning to quantum creep at bead masses slightly larger than in the continuous SG model. Within the creep regime, a field-driven transition from creep to complete depinning is identified. The effects of disorder on the chain's dynamics depend on the potential's roughness exponent H. For example, quantum fluctuations are generally too small to depin the chain if H=1/2, while an H=0 chain can be pinned or unpinned depending on the bead masses. Thermal fluctuations always depin the chain. PMID:14753858

  15. The Relationship Between the Sloshing and Breathing Frequencies in a 1D Vertically Aligned Dust Particle Chain

    NASA Astrophysics Data System (ADS)

    Kong, Jie; Qiao, Ke; Sabo, Hannah; Matthews, Lorin; Hyde, Truell

    2013-10-01

    When confined in a glass box placed on the lower powered electrode of a GEC rf reference cell, dust particles immersed in plasma can form vertically aligned 1D chains. Both the formation and subsequent structural changes within this vertically aligned dust chain are controlled by the rf power, since the rf power effects the ionization rate in the cell, the screening parameter and the charge on the dust particles. In this study, oscillations of a 1D vertically aligned dust particle chain are employed to investigate the dust charge and screening length through measurement of the resonance frequency. It will be shown that the relationship between the sloshing and breathing frequencies indicates that the ion streaming effect plays an important role in vertical oscillations and must be included in any structural analysis of the system.

  16. From 1D chain to 3D network: A theoretical study on TiO2 low dimensional structures

    NASA Astrophysics Data System (ADS)

    Guo, Ling-ju; Zeng, Zhi; He, Tao

    2015-06-01

    We have performed a systematic study on a series of low dimensional TiO2 nanostructures under density functional theory methods. The geometries, stabilities, growth mechanism, and electronic structures of 1D chain, 2D ring, 2D ring array, and 3D network of TiO2 nanostructures are analyzed. Based on the Ti2O4 building unit, a series of 1D TiO2 nano chains and rings can be built. Furthermore, 2D ring array and 3D network nanostructures can be constructed from 1D chains and rings. Among non-periodic TiO2 chain and ring structures, one series of ring structures is found to be more stable. The geometry model of the 2D ring arrays and 3D network structures in this work has provided a theoretical understanding on the structure information in experiments. Based on these semiconductive low dimensional structures, moreover, it can help to understand and design new hierarchical TiO2 nanostructure in the future.

  17. From 1D chain to 3D network: A theoretical study on TiO{sub 2} low dimensional structures

    SciTech Connect

    Guo, Ling-ju; He, Tao; Zeng, Zhi

    2015-06-14

    We have performed a systematic study on a series of low dimensional TiO{sub 2} nanostructures under density functional theory methods. The geometries, stabilities, growth mechanism, and electronic structures of 1D chain, 2D ring, 2D ring array, and 3D network of TiO{sub 2} nanostructures are analyzed. Based on the Ti{sub 2}O{sub 4} building unit, a series of 1D TiO{sub 2} nano chains and rings can be built. Furthermore, 2D ring array and 3D network nanostructures can be constructed from 1D chains and rings. Among non-periodic TiO{sub 2} chain and ring structures, one series of ring structures is found to be more stable. The geometry model of the 2D ring arrays and 3D network structures in this work has provided a theoretical understanding on the structure information in experiments. Based on these semiconductive low dimensional structures, moreover, it can help to understand and design new hierarchical TiO{sub 2} nanostructure in the future.

  18. Single molecule magnet behavior observed in a 1-D dysprosium chain with quasi-D5h symmetry.

    PubMed

    Huang, Xing-Cai; Zhang, Ming; Wu, Dayu; Shao, Dong; Zhao, Xin-Hua; Huang, Wei; Wang, Xin-Yi

    2015-12-28

    Two one-dimensional (1-D) chain complexes with pentagonal bipyramidal Dy(III) centers have been synthesized and magnetically characterized. Field-induced single molecule magnet behavior has been revealed in both compounds, which is still rarely reported in a lanthanide compound with a pentagonal bipyramidal coordination geometry. Their crystal field parameters and orientations of the magnetic easy axes were obtained from the simulation of the magnetic data and the electrostatic model calculation. PMID:26593051

  19. First-principles calculations of half-metallic ferromagnetism in zigzag boron-nitride nanoribbons jointed with a single Fe-chain

    NASA Astrophysics Data System (ADS)

    Kaiwu, Luo; Lingling, Wang; Quan, Li; Tong, Chen; Liang, Xu

    2015-08-01

    First-principles calculations have been used to research the electronic structure and magnetic properties of zigzag boron nitride nanoribbons (ZBNNRs) terminated/jointed by armchair dimer-Fe chains (respectively called Fe-terminated ZBNNRs and Fe-jointed ZBNNRs). The Fe-terminated ZBNNRs is a semiconductor for different ribbon widths, and the Fe-jointed ZBNNRs become half-metallic regardless of the ribbon width. The magnetism of both structures mainly stems from the Fe atoms. It is found that the self-metallicity of the Fe-jointed ZBNNRs results from the strong interaction between the 3d orbitals of Fe atoms and the 2p orbitals of N atoms. The stability of the Fe-jointed ZBNNRs under room temperature has been confirmed by molecular dynamics simulation. This kind of half-metal property means a selectivity for the two different electrons, it can be applied to spintronics devices. Other transition-metal jointed ZBNNRs are also studied, which can be metals, half-metals or semiconductors with different ground states. Project supported by the National Natural Science Foundation of China (Nos. 61176116, 11074069), and the Specialized Research Fund for the Doctoral Program of Higher Education of China (No. 20120161130003).

  20. Terahertz excitations in the 1D Ising chain quantum magnet CoNb2O6

    NASA Astrophysics Data System (ADS)

    Morris, Christopher M.; Valdés Aguilar, R.; Koopayeh, S.; Broholm, C.; Armitage, N. P.

    2012-02-01

    The one-dimensional magnet CoNb2O6 was recently demonstrated to be an excellent realization of a one-dimensional quantum Ising spin chain. It has been shown to undergo a quantum phase transition in a magnetic field oriented transverse to its ferromagnetically aligned spin chains. Low energy spin-flip excitations in the chains were recently observed via inelastic neutron scattering.ootnotetextR. Coldea, et al, Science 327, 177 (2010) The energy spectrum of these excitations was shown to have a interesting energy scaling governed by symmetries of the E8 exceptional Lie group. Here, time-domain terahertz spectroscopy (TDTS) is used to investigate optically active low energy excitations in CoNb2O6. We take advantage of the polarization sensitivity of this technique to characterize both electric and magnetic dipole active excitations in this compound. A connection is made from the q=0 response observed here to the excitations observed by neutron scattering. In addition, we will show preliminary data on the terahertz spectra of this material as it undergoes the magnetic field-tuned quantum phase transition.

  1. Multiple mobility edges in a 1D Aubry chain with Hubbard interaction in presence of electric field: Controlled electron transport

    NASA Astrophysics Data System (ADS)

    Saha, Srilekha; Maiti, Santanu K.; Karmakar, S. N.

    2016-09-01

    Electronic behavior of a 1D Aubry chain with Hubbard interaction is critically analyzed in presence of electric field. Multiple energy bands are generated as a result of Hubbard correlation and Aubry potential, and, within these bands localized states are developed under the application of electric field. Within a tight-binding framework we compute electronic transmission probability and average density of states using Green's function approach where the interaction parameter is treated under Hartree-Fock mean field scheme. From our analysis we find that selective transmission can be obtained by tuning injecting electron energy, and thus, the present model can be utilized as a controlled switching device.

  2. Quantum Bocce: Magnon-magnon collisions between propagating and bound states in 1D spin chains

    NASA Astrophysics Data System (ADS)

    Longo, Paolo; Greentree, Andrew D.; Busch, Kurt; Cole, Jared H.

    2013-08-01

    The dynamics of two magnons in a Heisenberg spin chain under the influence of a non-uniform magnetic field is investigated by means of a numerical wave-function-based approach using a Holstein-Primakoff transformation. The magnetic field is localized in space such that it supports exactly one single-particle bound state. We study the interaction of this bound mode with an incoming spin wave and the interplay between transmittance, energy and momentum matching. We find analytic criteria for maximizing the interconversion between propagating single-magnon modes and true propagating two-magnon states. The manipulation of bound and propagating magnons is an essential step towards quantum magnonics.

  3. Characterizing gapped phases of a 1D spin chain with on-site and spatial symmetries

    NASA Astrophysics Data System (ADS)

    West, Colin; Prakash, Abhishodh; Wei, Tzu-Chieh

    We investigate the phase diagram of a spin-1 chain whose Hamiltonian is invariant under translation, lattice inversion and a global A4 symmetry in the spin degrees of freedom. The classification scheme by Chen, Gu, and Wen allows us to enumerate all possible phases under the given symmetry. Then, we determine which of these phases actually occur in the two-parameter Hamiltonian. Using numerical methods proposed by Pollmann and Turner (2012) we determine the characteristic projective parameters for the Symmetry Protected Topological (SPT) phases. In addition, we present a method for determining the projective commutation parameter in these phases. The resulting phase diagram is rich and contains at least nine different SPT phases. This work was supported in part by the National Science Foundation.

  4. Two unprecedented 1D coordination polymer chains based on tetranuclear copper(II) building blocks

    SciTech Connect

    Li Gaijuan; Xing Yan Song Shuyan; Xu Ning; Liu Xianchun; Su Zhongmin

    2008-09-15

    The reaction of copper(II) sulfate with pyridine in DMF or methanol yield two unprecedented Cu(II) coordination polymers {l_brace}[Cu{sub 4}({mu}{sub 4}-O)(py){sub 4}(SO{sub 4}){sub 4}][{mu}-Cu(py)(DMF){sub 2}]{r_brace}{sub n}(1) and {l_brace}[Cu{sub 4}({mu}{sub 4}-O)(py){sub 4}(SO{sub 4}){sub 4}][{mu}-Cu(py){sub 4}]{r_brace}{sub n}(2), respectively. Single-crystal X-ray diffraction indicated that compound 1 crystallizes in the monoclinic system, space group p2(1)/n, a=14.542(5) A, b=16.359(5) A, c=18.951(5) A, {beta}=92.047(5){sup o}, V=4505(2) A{sup 3}, Z=4 while 2 is monoclinic C2/c, a=23.078(5) A, b=10.214(5) A, c=23.142(5) A, {beta}=115.471(5){sup o}, V=4925(3) A{sup 3}, Z=4. Both of the two compounds consist of tetrahedral tetranuclear [Cu{sub 4}({mu}{sub 4}-O)(py){sub 4}(SO{sub 4}){sub 4}] clusters that are bridged by pentacoordinated Cu atom for 1 or hexacoordinated Cu atoms for 2 through the sulfate oxygen to form the infinite one-dimensional polymer chains. - Graphical abstract: Two unprecedented Cu(II) coordination polymers have been prepared by using solvothermal method; they consist of tetrahedral tetranuclear clusters that are bridged by unique Cu(II) atom through the sulfate oxygen to form the infinite one-dimensional polymer chains (a) for complex 1 and (b) for complex 2.

  5. Halocuprate(I) zigzag chain structures with N-methylated DABCO cations--bright metal-centered luminescence and thermally activated color shifts.

    PubMed

    Maderlehner, Sebastian; Leitl, Markus J; Yersin, Hartmut; Pfitzner, Arno

    2015-11-28

    Two compounds 1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane catena-tetra-μ-halo-dicuprate(I) with DABCOMe2 Cu2X4 (1: X = Br, 2: X = I) were synthesized by hydrothermal reaction of copper(I) halides with the corresponding 1,4-diazoniabicyclo[2.2.2]octane (DABCO) dihydrohalides in an acetonitrile/methanol mixture. Both compounds crystallize monoclinically, 1 with a = 9.169(4) Å, b = 10.916(6) Å, c = 15.349(6) Å, β = 93.93(2)°, V = 1533(1) Å(3), Z = 4, space group P2(1)/n (no. 14) and 2 with a = 15.826(9) Å, b = 9.476(5) Å, c = 22.90(2) Å, β = 90.56(5)°, V = 3434(5) Å(3), Z = 8, space group P2(1) (no. 4), respectively (lattice constants refined from powder diffraction data measured at 293 K). The cations in both compounds are formed by in situ N-methylation of DABCOH2(2+) cations by methanol in a S(N)2 reaction. Both compounds contain an anionic copper(I) halide chain structure consisting of trans edge-sharing CuX4 tetrahedra. The chains are strongly kinked at every 2(nd) junction thus forming a zigzag structure. The shortest halide-halide distances are observed between the halide ions of adjacent tetrahedra which are approaching each other due to the kinking. This structure type shows a specific luminescence behavior. Under optical excitation, the compounds exhibit yellow (1) and green (2) emission with photoluminescence quantum yields of Φ(PL) = 52 and 4%, respectively, at ambient temperature. According to DFT and TDDFT calculations, the emission is assigned to be a phosphorescence essentially involving a metal centered transition between the HOMO consisting mainly of copper 3d and halide p orbitals and the LUMO consisting mainly of copper 4s and 4p orbitals. The temperature dependence of the emission spectra, decay times, and quantum yields has been investigated in detail, especially for 1. From the resulting trends it can be concluded that the emission for T≤ 100 K stems from energetically lower lying copper halide segments. Such segments represent

  6. The role of solitons in charge and energy transfer in 1D molecular chains

    NASA Astrophysics Data System (ADS)

    Ivić , Zoran

    1998-03-01

    The idea that polarons and solitons could play the crucial role in the transport processes in biological structures, has been critically reexamined on the basis of the general theory of self-trapping phenomena. The criteria which enable one to determine conditions for the existence and stability of polarons and solitons and to determine their character, in dependence of the values of the basic physical parameters of the system, were formulated. Validity of the so-called Davydov's soliton model was discussed on the basis of these criteria. It was found that the original Davydov's proposal, based upon the idea of the soliton creation due to the single excitation (particle, vibron, etc.) self-trapping, cannot explain the intramolecular energy transfer in α-helix and acetanilide. However, Davydov theory is flexible enough to describe the single electron transfer in some systems (α-helix and acetanilide for example). In the many-particle systems, dressing effect, due to the quantum nature of phonons, may cause the creation of the bound states of the several excitons in the molecular chain. The possibility of creation of the soliton states of this type is discussed for the simple Fröhlich's one-dimensional model. The regions of the system parameter space where different mechanisms dominate the behaviour of such entities are characterized.

  7. A hierarchy of ``meson'' bound state excitations in the 1D ferromagnetic Ising chain CoNb2O6

    NASA Astrophysics Data System (ADS)

    Morris, Christopher; Koopayeh, Seyed; Ghosh, Anirban; Tchernyshyov, Oleg; McQueen, Tyrel M.; Armitage, N. Peter; Valdés Aguilar, Rolando; Krizan, Jason; Cava, Robert J.

    2014-03-01

    The quantum magnet CoNb2O6 was recently demonstrated to be an excellent realization of the one-dimensional ferromagnetic Ising spin chain. Low energy spin-flip excitations in the chains were recently observed via inelastic neutron scattering.[2] The energy spectrum of these excitations was shown to have a interesting energy scaling governed by symmetries of the E8 exceptional Lie group. Here, time-domain terahertz spectroscopy (TDTS) is used to investigate these optically active spin flip excitations in CoNb2O6. A series of nine spin flip bound states is observed, whose energies can be modeled exceedingly well by the Airy function solutions to a 1D Schrödinger equation. Additionally, a novel bound state of excitations on neighboring chains is observed just below the onset of a two particle continuum. Work supported by The Institute of Quantum Matter under DOE grant DE-FG02-08ER46544 and by the Gordon and Betty Moore Foundation through Grant GBMF2628.

  8. Two-step spin transition in a 1D Fe(II) 1,2,4-triazole chain compound.

    PubMed

    Dîrtu, Marinela M; Schmit, France; Naik, Anil D; Rusu, Ionela; Rotaru, Aurelian; Rackwitz, Sergej; Wolny, Juliusz A; Schünemann, Volker; Spinu, Leonard; Garcia, Yann

    2015-04-01

    A thermochromic 1D spin crossover coordination (SCO) polymer [Fe(βAlatrz)3](BF4)2⋅2 H2O (1⋅2 H2O), whose precursor βAlatrz, (1,2,4-triazol-4-yl-propionate) has been tailored from a β-amino acid ester is investigated in detail by a set of superconducting quantum interference device (SQUID), (57)Fe Mössbauer, differential scanning calorimetry, infrared, and Raman measurements. An hysteretic abrupt two-step spin crossover (T1/2(↓) = 230 K and T1/2(↑) = 235 K, and T1/2(↓) = 172 K and T1/2(↑) = 188 K, respectively) is registered for the first time for a 1,2,4-triazole-based Fe(II) 1D coordination polymer. The two-step SCO configuration is observed in a 1:2 ratio of low-spin/high-spin in the intermediate phase for a 1D chain. The origin of the stepwise transition was attributed to a distribution of chains of different lengths in 1⋅2 H2O after First Order Reversal Curves (FORC) analyses. A detailed DFT analysis allowed us to propose the normal mode assignment of the Raman peaks in the low-spin and high-spin states of 1⋅2 H2O. Vibrational spectra of 1⋅2 H2O reveal that the BF4(-) anions and water molecules play no significant role on the vibrational properties of the [Fe(βAlatrz)3](2+) polymeric chains, although non-coordinated water molecules have a dramatic influence on the emergence of a step in the spin transition curve. The dehydrated material [Fe(βAlatrz)3](BF4)2 (1) reveals indeed a significantly different magnetic behavior with a one-step SCO which was also investigated. PMID:25736846

  9. Structural variation from heterometallic cluster-based 1D chain to heterometallic tetranuclear cluster: Syntheses, structures and magnetic properties

    SciTech Connect

    Zhang, Shu-Hua; Zhao, Ru-Xia; Li, He-Ping; Ge, Cheng-Min; Li, Gui; Huang, Qiu-Ping; Zou, Hua-Hong

    2014-08-15

    Using the solvothermal method, we present the comparative preparation of ([Co{sub 3}Na(dmaep){sub 3}(ehbd)(N{sub 3}){sub 3}]·DMF){sub n} (1) and [Co{sub 2}Na{sub 2}(hmbd){sub 4}(N{sub 3}){sub 2}(DMF){sub 2}] (2), where Hehbd is 3-ethoxy-2-hydroxy-benzaldehyde, Hhmbd is 3-methoxy-2-hydroxy-benzaldehyde, and Hdmaep is 2-dimethylaminomethyl-6-ethoxy-phenol, which was synthesized by an in-situ reaction. Complexes 1 and 2 were characterized by elemental analysis, IR spectroscopy, and X-ray single-crystal diffraction. Complex 1 is a novel heterometallic cluster-based 1-D chain and 2 is a heterometallic tetranuclear cluster. The (Co{sub 3}{sup II}Na) and (Co{sub 2}{sup II}Na{sub 2}) cores display dominant ferromagnetic interaction from the nature of the binding modes through μ{sub 1,1,1}-N{sub 3}{sup –} (end-on, EO). - Graphical abstract: Two novel cobalt complexes have been prepared. Compound 1 consists of tetranuclear (Co{sub 3}{sup II}Na) units, which further formed a 1-D chain. Compound 2 is heterometallic tetranuclear cluster. Two complexes display dominant ferromagnetic interaction. - Highlights: • Two new heterometallic complexes have been synthesized by solvothermal method. • The stereospecific blockade of the ligands in the synthesis system seems to be the most important synthetic parameter. • The magnetism studies show that 1 and 2 exhibit ferromagnetic interactions. • Complex 1 shows slowing down of magnetization and not blocking of magnetization.

  10. Structure and thermodynamic properties of (C5H12N)CuBr3: a new weakly coupled antiferromagnetic spin-1/2 chain complex lying in the 1D-3D dimensional cross-over regime.

    PubMed

    Pan, Bingying; Wang, Yang; Zhang, Lijuan; Li, Shiyan

    2014-04-01

    Single crystals of a metal organic complex (C5H12N)CuBr3 (C5H12N = piperidinium, pipH for short) have been synthesized, and the structure was determined by single-crystal X-ray diffraction. (pipH)CuBr3 crystallizes in the monoclinic group C2/c. Edging-sharing CuBr5 units link to form zigzag chains along the c axis, and the neighboring Cu(II) ions with spin-1/2 are bridged by bibromide ions. Magnetic susceptibility data down to 1.8 K can be well fitted by the Bonner-Fisher formula for the antiferromagnetic spin-1/2 chain, giving the intrachain magnetic coupling constant J ≈ -17 K. At zero field, (pipH)CuBr3 shows three-dimensional (3D) order below TN = 1.68 K. Calculated by the mean-field theory, the interchain coupling constant J' = -0.91 K is obtained and the ordered magnetic moment m0 is about 0.23 μB. This value of m0 makes (pipH)CuBr3 a rare compound suitable to study the 1D-3D dimensional cross-over problem in magnetism, since both 3D order and one-dimensional (1D) quantum fluctuations are prominent. In addition, specific heat measurements reveal two successive magnetic transitions with lowering temperature when external field μ0H ≥ 3 T is applied along the a' axis. The μ0H-T phase diagram of (pipH)CuBr3 is roughly constructed. PMID:24617285

  11. New Mononuclear Cu(II) Complexes and 1D Chains with 4-Amino-4H-1,2,4-triazole

    PubMed Central

    Dîrtu, Marinela M.; Boland, Yves; Gillard, Damien; Tinant, Bernard; Robeyns, Koen; Safin, Damir A.; Devlin, Eamonn; Sanakis, Yiannis; Garcia, Yann

    2013-01-01

    The crystal structures of two mononuclear Cu(II) NH2trz complexes [Cu(NH2trz)4(H2O)](AsF6)2 (I) and [Cu(NH2trz)4(H2O)](PF6)2 (II) as well as two coordination polymers [Cu(μ2-NH2trz)2Cl]Cl·H2O (III) and [Cu(μ2-NH2trz)2Cl] (SiF6)0.5·1.5H2O (IV) are presented. Cationic 1D chains with bridging bis-monodentate μ2-coordinated NH2trz and bridging μ2-coordinated chloride ligands are present in III and IV. In these coordination polymers, the Cu(II) ions are strongly antiferromagnetically coupled with J = −128.4 cm−1 for III and J = −143 cm−1 for IV (H = −J∑SiSi+1), due to the nature of the bridges between spin centers. Inter-chain interactions present in the crystal structures were taken into consideration, as well as g factors, which were determined experimentally, for the quantitative modeling of their magnetic properties. PMID:24300095

  12. Structural characterization, phase transition and switchable dielectric behaviors in a new zigzag chain organic-inorganic hybrid compound: [C3H7NH3]2SbI5.

    PubMed

    Mao, Chen-Yu; Liao, Wei-Qiang; Wang, Zhong-Xia; Li, Peng-Fei; Lv, Xing-Hui; Ye, Heng-Yun; Zhang, Yi

    2016-03-28

    A novel zigzag chain organic-inorganic hybrid compound of the general formula R2MI5, [n-C3H7NH3]2[SbI5] (1), was successfully synthesized, in which the n-propylammonium cations were located in the free cavities between the one-dimensional zigzag chains. Systematic characterization was performed to investigate the phase transition of 1. A pair of sharp peaks at 211.8 K (heating) and 203.7 K (cooling) with a hysteresis 8.1 K were observed in the differential scanning calorimetry (DSC) curve, indicating the first-order phase transition behavior of 1. The temperature dependence dielectric measurement demonstrated a step-like change at around 211.8 K, which makes 1 a potential switchable dielectric material. Frequency dependence measurement revealed that the frequency exerts a weak influence on the dielectric permittivity. Further structural analysis shows that both anionic and cationic moieties contribute to the phase transition, accompanied by weak hydrogen bond interactions between cations and the [SbI5]n(2-) chains. PMID:26893146

  13. Spin coupling in zigzag Wigner crystals.

    SciTech Connect

    Klironomos, A. D.; Meyer, J. S.; Hikihara, T.; Matveev, K. A.; Materials Science Division; Ohio State Univ.; Hokkaido Univ.

    2007-08-01

    We consider interacting electrons in a quantum wire in the case of a shallow confining potential and low electron density. In a certain range of densities, the electrons form a two-row (zigzag) Wigner crystal whose spin properties are determined by nearest and next-nearest neighbor exchange as well as by three- and four-particle ring exchange processes. The phase diagram of the resulting zigzag spin chain has regions of complete spin polarization and partial spin polarization in addition to a number of unpolarized phases, including antiferromagnetism and dimer order as well as a novel phase generated by the four-particle ring exchange.

  14. Self-assembly of three new coordination complexes: Formation of 2-D square grid, 1-D chain and tape structures

    NASA Astrophysics Data System (ADS)

    Indrani, Murugan; Ramasubramanian, Ramasamy; Fronczek, Frank R.; Vasanthacharya, N. Y.; Kumaresan, Sudalaiandi

    2009-08-01

    Three distinct coordination complexes, viz., [Co(imi) 2(tmb) 2] ( 1) [where imi = imidazole], {[Ni(tmb) 2(H 2O) 3]·2H 2O} n ( 2) and [Cu 2(μ-tmb) 4(CH 3OH) 2] ( 3), have been synthesized hydrothermally by the reactions of metal acetates, 2,4,6-trimethylbenzoic acid (Htmb) and with or without appropriate amine. The Ni analogue of 1 and the Co analogue of 2 have also been synthesized. X-ray single-crystal diffraction suggests that complex 1 represents discrete mononuclear species and complex 2 represents a 1D chain coordination polymer in which the Ni(II) ions are connected by the bridging water molecules. Complex 3 represents a neutral dinuclear complex. In 1, the central metal ions are associated by the carboxylate moiety and imidazole ligands, whereas the central metal atom is coordinated to the carboxylate moiety and the respective solvent molecules in 2 and 3. In 3, the four 2,4,6-trimethylbenzoate moieties act as a bridge connecting two copper (II) ions and the O atoms of methanol coordinate in an anti arrangement to form a square pyramidal geometry, with the methanol molecule at the apical position. In all the three structures the central metal atom sits on a crystallographic inversion centre. In all the cases, the coordination entities are further organized via hydrogen bonding interactions to generate multifarious supramolecular networks. Complexes 1, 2 and 3 have also been characterized by spectroscopic (UV/Vis and IR) and thermal analysis (TGA). In addition, the complexes were found to exhibit antimicrobial activity.The magnetic susceptibility measurements, measured from 8 to 300 K, revealed antiferromagnetic interactions between the Co(II) ions in compound 1 and the Ni(II) ions in 1a, respectively.

  15. Topological degeneracy (Majorana zero-mode) and 1 + 1D fermionic topological order in a magnetic chain on superconductor via spontaneous Z₂(f) symmetry breaking.

    PubMed

    Klassen, Joel; Wen, Xiao-Gang

    2015-10-14

    We study a chain of ferromagnetic sites, ie nano-particles, molecules or atoms, on a substrate of fully gapped superconductors. We find that under quite realistic conditions, the fermion-number-parity symmetry Z₂(f) can spontaneously break. In other words, such a chain can realize a 1  +  1D fermionic topologically ordered state and the corresponding two-fold topological degeneracy on an open chain. Such a topological degeneracy becomes the so called Majorana zero mode in the non-interacting limit. PMID:26401725

  16. Direct evidence of a zigzag spin-chain structure in the honeycomb lattice: A neutron and x-ray diffraction investigation of single-crystal Na2IrO3

    SciTech Connect

    Ye, Feng; Chi, Songxue; Cao, Huibo; Chakoumakos, Bryan C; Fernandez-Baca, Jaime A; Custelcean, Radu; Qi, Tongfei; Korneta, O. B.; Cao, Gang

    2012-01-01

    We have combined single crystal neutron and x-ray diffractions to investigate the magnetic and crystal structures of the honeycomb lattice $\\rm Na_2IrO_3$. The system orders magnetically below $18.1(2)$~K with Ir$^{4+}$ ions forming zigzag spin chains within the layered honeycomb network with ordered moment of $\\rm 0.22(1)~\\mu_B$/Ir site. Such a configuration sharply contrasts the N{\\'{e}}el or stripe states proposed in the Kitaev-Heisenberg model. The structure refinement reveals that the Ir atoms form nearly ideal 2D honeycomb lattice while the $\\rm IrO_6$ octahedra experience a trigonal distortion that is critical to the ground state. The results of this study provide much-needed experimental insights into the magnetic and crystal structure crucial to the understanding of the exotic magnetic order and possible topological characteristics in the 5$d$-electron based honeycomb lattice.

  17. Synthesis, Structure, and Properties of the Fullerene C60 Salt of Crystal Violet, (CV(+) )(C60 (.-) )⋅0.5 C6 H4 Cl2 , which Contained Closely Packed Zigzagged C60 (.-) Chains.

    PubMed

    Konarev, Dmitri V; Kuzmin, Alexey V; Khasanov, Salavat S; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N

    2016-06-01

    The reduction of fullerene C60 by zinc dust in the presence of crystal violet cations (CV(+) ) yielded a deep-blue solution, from which crystals of (CV(+) )(C60 (.-) )⋅0.5 C6 H4 Cl2 (1) were obtained by slow mixing with n-hexane. The salt contained isolated, closely packed zigzagged chains that were composed of C60 (.-) radical anions with a uniform interfullerene center-to-center distance of 9.98 Å. In spite of the close proximity of the fullerenes, they did not dimerize, owing to spatial separation by the phenyl substituents of CV(+) . The room-temperature conductivity of compound 1 was 3×10(-2)  S cm(-1) along the fullerene chains. The salt exhibited semiconducting behavior, with an activation energy of Ea =167 meV. Spins localized on C60 (.-) were antiferromagnetically coupled within the fullerene chains, with a Weiss temperature of -19 K without long-range magnetic ordering down to 1.9 K. PMID:27062654

  18. Structural and Magnetic Behavior of a Quasi-1D Antiferromagnetic Chain Compound Cu(NCS)(2)(PYZ)

    SciTech Connect

    Bordallo, H. N.; Chapon, L. C.; Manson, Jamie L; Qualls, J. S.; Hall, D.; Argyriou, D. N.

    2003-01-01

    Synchrotron X-ray diffraction (XRD) and neutron powder diffraction (NPD) were used to determine the structure of Cu(NCS){sub 2}(pyz) (pyz=pyrazine=C{sub 4}N{sub 2}H{sub 4}), which consists of a stacking of Cu-pyz-Cu chains. While NPD measurements showed no evidence of long-range magnetic ordering, the temperature dependence of the magnetic susceptibility and magnetization suggests that the system can be adequately described on the local scale as a spin-1/2 antiferromagnet (AFM) chain with an intrachain exchange interaction J/k{sub B} = -8 K ({approx}0.7 meV). Comparison of isothermal magnetization data acquired up to 30 T at 1.6 K to a linear chain model shows excellent agreement, making this material a nearly ideal example of an isotropic Heisenberg AFM chain.

  19. Thermally triggered reversible transformation between parallel staggered stacking and plywood-like stacking of 1D coordination polymer chains.

    PubMed

    Sun, Jian-Ke; Jin, Xu-Hui; Chen, Chao; Zhang, Jie

    2010-08-01

    An unusual example showing reversible interconversion of chain-like isomers under controlled experimental settings is reported, which illustrates the key role of assembly conditions for the target packing architecture with related properties. The reaction of Mn(II) ions with an organic ligand 2-hydroxypyrimidine-4,6-dicarboxylic acid (H(3)hpdc) at room temperature gives a coordination polymer {[Mn(3)(hpdc)(2)(H(2)O)(6)] x 2 H(2)O}(n) containing parallel staggered stacking, whereas the reaction under hydrothermal conditions at 150 degrees C affords a compound {[Mn(3)(hpdc)(2)(H(2)O)(6)] x H(2)O}(n) possessing plywood-like stacking. Interestingly, two compounds contain similar one-dimensional chain components with different orientations that can be controlled by thermodynamic factors. Thermally triggered reversible interconversion of the two compounds was verified by X-ray powder, IR, and element analysis. The spin-canted antiferromagnetic behaviors are observed in as-synthesized samples, and the influence of chain orientations on magnetic properties has been detected. PMID:20608747

  20. Mössbauer spectroscopy monitoring the spin transition of a FeII 1D chain with a fluorinated 4-R-1,2,4-triazole

    NASA Astrophysics Data System (ADS)

    Railliet, Antoine P.; Naik, Anil D.; Rotaru, Aurelian; Garcia, Yann

    2014-04-01

    The spin transition properties of [Fe(fletrz)3](BF4)2•2H2O are described. Fletrz (4-(2'-fluoroethyl)-4H-1,2,4-triazole) is a novel fluorine substituted 1,2,4-triazole ligand which forms 1D chain upon self-assembly with FeII ions. This coordination polymer exhibits reversible abrupt thermochromic spin transition that has been probed by SQUID magnetometry, variable temperature 57Fe Mossbauer spectroscopy (77-300 K) and differential scanning calorimetry (100-300 K).

  1. Supramolecular open-framework based on 1-D iron phosphate-diphosphate chains assembled through hydrogen bonding

    SciTech Connect

    Salvado, Miguel A.; Pertierra, Pilar; Trobajo, Camino; Garcia, Jose R.

    2008-05-15

    Fe(H{sub 2}PO{sub 4})(H{sub 2}P{sub 2}O{sub 7}).C{sub 5}H{sub 5}N, a new iron(III) phosphate with an open-framework has been synthesized hydrothermally using pyridine as organic template. The crystal structure was solved ab initio using conventional powder X-ray diffraction data. The unit cell is orthorhombic, a=9.5075(2), b=10.1079(1), c=13.3195(2) A, space group P2{sub 1}2{sub 1}2{sub 1}, Z=4. The structure consists of FeO{sub 6} octahedra joined by H{sub 2}PO{sub 4} and H{sub 2}P{sub 2}O{sub 7} groups forming linear chains interconnected by hydrogen bonding to give rise to a supramolecular framework enclosing tunnels in which the pyridine molecules reside. - Graphical abstract: The low temperature hydrothermal synthesis offers many possibilities in the preparation of new materials with mixed octahedral-tetrahedral open-frameworks. Fe(H{sub 2}PO{sub 4})(H{sub 2}P{sub 2}O{sub 7}).C{sub 5}H{sub 5}N is constituted by linear chains of FeO{sub 6} octahedra joined through of both dihydrogenphosphate and dihydrogendiphosphate bridges, interconnected by hydrogen bonds, originating channels where the pyridine molecules are located.

  2. Dzyaloshinskii-Moriya interaction and chiral magnetism in 3d-5d zigzag chains: Tight-binding model and ab initio calculations

    NASA Astrophysics Data System (ADS)

    Kashid, Vikas; Schena, Timo; Zimmermann, Bernd; Mokrousov, Yuriy; Blügel, Stefan; Shah, Vaishali; Salunke, H. G.

    2014-08-01

    We investigate the chiral magnetic order in freestanding planar 3d-5d biatomic metallic chains (3d: Fe, Co; 5d: Ir, Pt, Au) using first-principles calculations based on density functional theory. We find that the antisymmetric exchange interaction, commonly known as the Dzyaloshinskii-Moriya interaction (DMI), contributes significantly to the energetics of the magnetic structure. For the Fe-Pt and Co-Pt chains, the DMI can compete with the isotropic Heisenberg-type exchange interaction and the magnetocrystalline anisotropy energy, and for both cases a homogeneous left-rotating cycloidal chiral spin-spiral with a wavelength of 51 Å and 36 Å, respectively, was found. The sign of the DMI, which determines the handedness of the magnetic structure, changes in the sequence of the 5d atoms Ir(+), Pt(-), Au(+). We use the full-potential linearized augmented plane wave method and perform self-consistent calculations of homogeneous spin spirals, calculating the DMI by treating the effect of spin-orbit interaction in the basis of the spin-spiral states in first-order perturbation theory. To gain insight into the DMI results of our ab initio calculations, we develop a minimal tight-binding model of three atoms and four orbitals that contains all essential features: the spin canting between the magnetic 3d atoms, the spin-orbit interaction at the 5d atoms, and the structure inversion asymmetry facilitated by the triangular geometry. We find that spin canting can lead to spin-orbit active eigenstates that split in energy due to the spin-orbit interaction at the 5d atom. We show that the sign and strength of the hybridization, the bonding or antibonding character between d orbitals of the magnetic and nonmagnetic sites, the bandwidth, and the energy difference between occupied and unoccupied states of different spin projection determine the sign and strength of the DMI. The key features observed in the trimer model are also found in the first-principles results.

  3. Synthesis and characterization of a 1D chain-like Cu{sub 6} substituted sandwich-type phosphotungstate with pendant dinuclear Cu–azido complexes

    SciTech Connect

    Li, Yan-Ying; Zhao, Jun-Wei; Wei, Qi; Yang, Bai-Feng; Yang, Guo-Yu

    2014-02-15

    A novel Cu–azido complex modified hexa-Cu{sup II} substituted sandwich-type phosphotungstate [Cu(en){sub 2}]([Cu{sub 2}(en){sub 2}(μ-1,1-N{sub 3}){sub 2}(H{sub 2}O)]{sub 2}[Cu{sub 6}(en){sub 2}(H{sub 2}O){sub 2}(B-α-PW{sub 9}O{sub 34}){sub 2}])·6H{sub 2}O (1) (en=ethylene-diamine) has been prepared under hydrothermal conditions and structurally characterized by elemental analyses, IR spectra, powder X-ray diffraction (PXRD) and single-crystal X-ray diffraction. 1 displays a beautiful 1-D chain architecture constructed from sandwich-type [Cu{sub 2}(en){sub 2}(μ-1,1-N{sub 3}){sub 2}(H{sub 2}O)]{sub 2}[Cu{sub 6}(en){sub 2}(H{sub 2}O){sub 2}(B-α-PW{sub 9}O{sub 34}){sub 2}]{sup 2−} units and [Cu(en){sub 2}]{sup 2+} linkers. To our knowledge, 1 represents the first hexa-Cu{sup II} sandwiched phosphotungstate with supporting Cu–azido complexes. - Graphical abstract: The first hexa-Cu{sup II} sandwiched phosphotungstate with supporting Cu–azido complexes has been prepared and characterized. Display Omitted - Highlights: • Hexa-copper-substituted phosphotungstate. • Cu–azido complexes modified hexa-Cu{sup II} substituted sandwich-type polyoxometalate. • 1-D chain architecture built by hexa-copper-substituted polyoxotungstate units.

  4. Magnetic and optical properties in the 1D TM-O chain compounds Sr2TMO3 (TM = Ni, Co): A first-principle investigation

    NASA Astrophysics Data System (ADS)

    Gui, Hong; Li, Xin; Zhao, Zhenjie; Xie, Wenhui

    2016-03-01

    In this paper, we have calculated the structural, electronic, magnetic and optical properties of Sr2NiO3 and Sr2CoO3 using density functional theory (DFT) within generalized gradient approximation (GGA). The crystal structure of both materials is well described with Immm (No. 71) symmetry which are isostructural with Sr2CuO3 and both are quasi-one-dimensional (1D) rectangular lattice G-type antiferromagnets, in consistent with the experimental data. Due to a distortion, Sr2CoO3 lifts the near-degeneracy dxz and dyz states of the local Co electronic configuration, which demonstrates a strong coupling between the structural lattice and the electronic configuration. The calculated band structure shows a band gap of 1.376 eV for Sr2NiO3 and a band gap of 1.735 eV for Sr2CoO3. Ni and Co ions are in the high-spin S = 1 and S = 3/2 configurations with the magnetic moments of 1.585 μB and 2.587 μB, respectively. Based on the Heisenberg Hamiltonian model, we conclude that the superexchange intrachain TM-O-TM superexchange interaction is predominant and interaction between the 1D chains is weak. According to the calculated dielectric function, absorption spectrum and electron energy loss spectrum, the optical responses suggest that Sr2NiO3 shows the unique anisotropic structure and interaction of the application in optoelectronics.

  5. Electric field effect in ultrathin zigzag graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Zhang, Wen-Xing; Liu, Yun-Xiao; Tian, Hua; Xu, Jun-Wei; Feng, Lin

    2015-07-01

    The electric field effect in ultrathin zigzag graphene nanoribbons containing only three or four zigzag carbon chains is studied by first-principles calculations, and the change of conducting mechanism is observed with increasing in-plane electric field perpendicular to the ribbon. Wider zigzag graphene nanoribbons have been predicted to be spin-splitted for both valence band maximum (VBM) and conduction band minimum (CBM) with an applied electric field and become half-metal due to the vanishing band gap of one spin with increasing applied field. The change of VBM for the ultrathin zigzag graphene nanoribbons is similar to that for the wider ones when an electric field is applied. However, in the ultrathin zigzag graphene nanoribbons, there are two kinds of CBMs, one is spin-degenerate and the other is spin-splitted, and both are tunable by the electric field. Moreover, the two CBMs are spatially separated in momentum space. The conducting mechanism changes from spin-degenerate CBM to spin-splitted CBM with increasing applied electric field. Our results are confirmed by density functional calculations with both LDA and GGA functionals, in which the LDA always underestimates the band gap while the GGA normally produces a bigger band gap than the LDA. Project supported by the National Natural Science Foundation of China (Grant Nos. 11204201 and 11147142) and the Natural Science Foundation for Young Scientists of Shanxi Province, China (Grant No. 2013021010-1).

  6. Synthesis, structure and properties of SrAu{sub 3}In{sub 3} and EuAu{sub 3}In{sub 3}-New indides with gold zig-zag chains

    SciTech Connect

    Muts, Ihor R.; Schappacher, Falko M.; Hermes, Wilfried; Zaremba, Vasyl' I.; Poettgen, Rainer

    2007-08-15

    New indides SrAu{sub 3}In{sub 3} and EuAu{sub 3}In{sub 3} were synthesized by induction melting of the elements in sealed tantalum tubes. Both indides were characterized by X-ray diffraction on powders and single crystals. They crystallize with a new orthorhombic structure type: Pmmn, Z=2, a=455.26(9), b=775.9(2), c=904.9(2) pm, wR2=0.0425, 485 F{sup 2} values for SrAu{sub 3}In{sub 3} and a=454.2(2), b=768.1(6), c=907.3(6) pm, wR2=0.0495, 551 F{sup 2} values for EuAu{sub 3}In{sub 3} with 26 variables for each refinement. The gold and indium atoms build up three-dimensional [Au{sub 3}In{sub 3}] polyanionic networks, which leave distorted hexagonal channels for the strontium and europium atoms. Within the networks one observes Au2 atoms without Au-Au contacts and gold zig-zag chains (279 pm Au1-Au1 in EuAu{sub 3}In{sub 3}). The Au-In and In-In distances in EuAu{sub 3}In{sub 3} range from 270 to 290 and from 305 to 355 pm. The europium atoms within the distorted hexagonal channels have coordination number 14 (8 Au+6 In). EuAu{sub 3}In{sub 3} shows Curie-Weiss behavior above 50 K with an experimental magnetic moment of 8.1(1) {mu}B/Eu atom. {sup 151}Eu Moessbauer spectra show a single signal at {delta}=-11.31(1) mm/s, compatible with divalent europium. No magnetic ordering was detected down to 3 K. - Graphical abstract: The three-dimensional [Au{sub 3}In{sub 3}] network in SrAu{sub 3}In{sub 3}.

  7. Synthesis, structure and characterization of 4,4‧-bipyridine directed isolated cluster and 1D chain of iron sulfates

    NASA Astrophysics Data System (ADS)

    Xu, Zhiwei; Fu, Yunlong; Zhang, Yu

    2008-03-01

    Two 4,4'-bipyridine directed iron sulfates have been synthesized and characterized by single-crystal X-ray diffraction, infrared spectrum, powder X-ray diffraction, CHN elemental analysis, thermal gravimetric analysis and magnetic analysis. [C 10N 2H 10] 2[Fe 4O 2(SO 4) 6(H 2O) 4]·6H 2O, I, and [C 10N 2H 10][Fe(SO 4) 2(OH)]·H 2O, II, both crystallize in triclinic space group P (No. 2). Crystal data: for I, a = 9.2064(8) Å, b = 11.5548(11) Å, c = 11.8130(11) Å, α = 117.3070(10)°, β = 94.650(2)°, γ = 96.493(2)°, V = 1096.79(17) Å 3, Z = 1; for II, a = 7.0382(9) Å, b = 9.0625(12) Å, c = 11.8903(16) Å, α = 100.145(3)°, β = 98.701(2)°, γ = 91.047(3)°, V = 737.17(17) Å 3, Z = 2. Compound I exhibits a rare discrete sulfated tetra-nuclear iron oxo cluster with a butterfly-type arrangement, and II possesses 1D tancoite-type chains. Magnetic properties analysis of I reveals a transformation from ferromagnetism to antiferromagnetism at about 14 K.

  8. Self-assembly of silver(I) coordination polymers from aminopyrimidyl derivatives and malonate acid: From 1D chain to 2D layer

    NASA Astrophysics Data System (ADS)

    Sun, Di; Zhang, Na; Xu, Qin-Juan; Luo, Geng-Geng; Huang, Rong-Bin; Zheng, Lan-Sun

    2010-04-01

    Two new silver(I) coordination polymers (CPs) of the formula [Ag 2(dmapym) 4(mal)·H 2O] n ( 1) and [Ag 3(apym) 3(mal)NO 3] n ( 2) (dmapym = 2-amino-4,6-dimethylprimidine, apym = 2-aminopyrimidine, H 2mal = malonate) have been synthesized by reactions of AgNO 3 and 2-aminopyrimidyl ligands with malonate under the ammoniacal condition. Both complexes have been characterized by element analysis, IR and single-crystal X-ray diffraction. The monodentate dmapym and tridentate mal ligands link Ag(I) ions to give complex 1 a one-dimensional (1D) H-shaped chain structure. The complex 2 is a two-dimensional (2D) double sheet structure constructed by (4, 4) single sheet. Additionally, the hydrogen-bonding and C-H⋯π interactions also direct the self-assembly of supramolecular architectures. The photoluminescence properties of the 1 and 2 were investigated in the solid state at room temperature.

  9. Synthesis and crystal structures of the new metal-rich ternary borides Ni{sub 12}AlB{sub 8}, Ni{sub 12}GaB{sub 8} and Ni{sub 10.6}Ga{sub 0.4}B{sub 6}-examples for the first B{sub 5} zig-zag chain fragment

    SciTech Connect

    Ade, Martin; Kotzott, Dominik; Hillebrecht, Harald

    2010-08-15

    Single crystals of the new borides Ni{sub 12}AlB{sub 8}, and Ni{sub 10.6}Ga{sub 0.4}B{sub 6} were synthesized from the elements and characterized by XRD and EDXS measurements. The crystal structures were refined on the basis of single crystal data. Ni{sub 12}AlB{sub 8} (oC252, Cmce, a=10.527(2), b=14.527(2), c=14.554(2) A, Z=12, 1350 reflections, 127 parameters, R{sub 1}(F)=0.0284, wR{sub 2}(F{sup 2})=0.0590) represents a new structure type with isolated B atoms and B{sub 5} fragments of a B-B zig-zag chain. Because the pseudotetragonal metric crystals are usually twinned. Ni{sub 10.6}Ga{sub 0.4}B{sub 6} (oP68, Pnma, a=12.305(2), b=2.9488(6), c=16.914(3) A, Z=4, 1386 reflections, 86 parameters, R{sub 1}(F)=0.0394, wR{sub 2}(F{sup 2})=0.104) is closely related to binary Ni borides. The structure contains B-B zig-zag chains and isolated B atoms. Ni{sub 12}GaB{sub 8} is isotypical to the Al-compound (a=10.569(4), b=14.527(4) and c=14.557(5) A). - Graphical abstract: Pentameric B{sub 5}-units are longest fragments of a B-B zig-zag chain ever characterized in a boride. They are found in the structures of Ni{sub 12}AlB{sub 8} and Ni{sub 12}GaB{sub 8}. The compounds are formed on annealing boron-rich {tau}-borides like Ni{sub 20}AlB{sub 14}.

  10. Spin-liquid ground state in the frustrated J1-J2 zigzag chain system BaTb2O4

    SciTech Connect

    Aczel, A. A.; Li, L.; Garlea, V. O.; Yan, J. -Q.; Weickert, F.; Zapf, V. S.; Movshovich, R.; Jaime, M.; Baker, P. J.; Keppens, V.; Mandrus, D.

    2015-07-13

    We have investigated polycrystalline samples of the zigzag chain system BaTb2O4 with magnetic susceptibility, heat capacity, neutron powder diffraction, and muon spin relaxation measurements. No magnetic transitions are observed in the bulk measurements, while neutron diffraction reveals low-temperature, short-range, intrachain magnetic correlations between Tb3+ ions. Muon spin relaxation measurements indicate that these correlations are dynamic, as the technique detects no signatures of static magnetism down to 0.095 K. Altogether these findings provide strong evidence for a spin liquid ground state in BaTb2O4.

  11. Synthesis and properties of a few 1-D cobaltous fumarates

    SciTech Connect

    Bora, Sanchay J.; Das, Birinchi K.

    2012-08-15

    Metal fumarates are often studied in the context of metal organic framework solids. Preparation, structure and properties of three cobalt(II) fumarates, viz. [Co(fum)(H{sub 2}O){sub 4}]{center_dot}H{sub 2}O 1, [Co(fum)(py){sub 2}(H{sub 2}O){sub 2}] 2, and [Co(fum)(4-CNpy){sub 2}(H{sub 2}O){sub 2}] 3 (fum=fumarate, py=pyridine, 4-CNpy=4-cyanopyridine) are described. All three are chain polymers involving bridging fumarato ligands between each pair of octahedral Co(II) centres, but while the first one is zigzag in structure, the latter two are linear. Indexed powder X-ray diffraction patterns, solid state electronic spectra and magnetic properties of the species are reported. Thermal decomposition behaviour of the compounds suggests that they may be suitable as precursors to make Co{sub 3}O{sub 4} via pyrolysis below 600 Degree-Sign C. - Graphical abstract: Structure and properties of three chain-polymeric cobalt(II) fumarates are described. Highlights: Black-Right-Pointing-Pointer Three fumarate bridged 1-D coordination polymers of cobalt(II) are reported. Black-Right-Pointing-Pointer While Co(II) fumarate pentahydrate is zigzag, the species having both pyridine and water as co-ligands are linear in structure. Black-Right-Pointing-Pointer Prominent lines in the powder X-ray diffraction patterns have been indexed. Black-Right-Pointing-Pointer Thermal decomposition of the species yields Co{sub 3}O{sub 4} as the final product.

  12. 1D cadmium(II) thiocyanate systems: Synthesis and characterization of three new polymeric 1D cadmium(II) thiocyanato complexes

    NASA Astrophysics Data System (ADS)

    Saber, Mohamed R.; Abu-Youssef, Morsy A. M.; Goher, Mohamed A. S.; Sabra, Berry A.; Hafez, Afaf K.; Badr, Ahmed M.-A.; Mautner, Franz A.

    2012-01-01

    Three new cadmium(II) thiocyanato complexes, [{Cd(NCS) 2(val)}·H 2O] n1, [Cd(NCS) 2(3-ampy) 2] n2, and [Cd(NCS) 2(pyrazolinone)] n3, (val = D, L-valine, 3-ampy = 3-aminopyridine and pyrazolinone = 3-methyl-1-phenyl-2-pyrazolin-5-one) have been synthesized and structurally characterized. The X-ray structure analysis revealed di-μ-N,S thiocyanato bridges connecting cadmium centers in a 1D chain with the co-ligand blocking the remaining coordination sites. The structure of complex 1 features six coordinate Cd(II) centers, each cadmium is surrounded by two N atoms and two S atoms from two bridging N,S-thiocyanato groups giving rise to a zigzag 1D chain and two oxygen atoms of the alternating chelating μ-O,O'-valine that coordinates as zwitterionic terminal amino acid. The structure of complex 2 consists of octahedral Cd(II) centers, connected by di-μ-N,S-bridging NCS groups, thus forming a 1D chain system along the [1 0 1] direction. The amino-groups are forming one intra-chain N sbnd H⋯N hydrogen bond and one interchain N sbnd H⋯N hydrogen bond to N-atoms of adjacent chains. The structure of 3 reveals di-μ-N,S-NCS doubly bridged unusual penta-coordinated cadmium centers with the alternating monodentate pyrazolinone ligand blocking the fifth coordination site. IR spectra and thermal properties of complexes are reported.

  13. Terahertz excitations near the quantum critical point in the 1D Ising chain quantum magnet CoNb2O6

    NASA Astrophysics Data System (ADS)

    Morris, Christopher M.; Valdés Aguilar, R.; Koopayeh, S.; McQueen, T. M.; Armitage, N. P.

    2013-03-01

    The one-dimensional magnet CoNb2O6 was recently demonstrated to be an excellent realization of a one-dimensional quantum Ising spin chain. It has been shown to undergo a quantum phase transition in a magnetic field oriented transverse to its ferromagnetically aligned spin chains. Low energy spin-flip excitations in the chains were recently observed via inelastic neutron scattering.[2] The energy spectrum of these excitations was shown to have a interesting energy scaling governed by symmetries of the E8 exceptional Lie group. Here, time-domain terahertz spectroscopy (TDTS) is used to investigate these optically active spin flip excitations in CoNb2O6 in an external magnetic field. For static magnetic fields oriented transverse to the spin chains, the terahertz excitations show evidence of the phase transitions that occur near the quantum critical magnetic field. Additional spin flip excitations are also observed for longitudinally oriented magnetic fields. Work supported by The Institute of Quantum Matter under DOE grant DE-FG02-08ER46544 and by the Gordon and Betty Moore Foundation.

  14. Field and dilution effects on the magnetic relaxation behaviours of a 1D dysprosium(iii)-carboxylate chain built from chiral ligands.

    PubMed

    Han, Tian; Leng, Ji-Dong; Ding, You-Song; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen

    2015-08-14

    A one-dimensional dysprosium(iii)-carboxylate chain in which the Dy(III) ions sit in a pseudo D(2d)-symmetry environment is synthesized and shows different slow magnetic relaxation behaviours depending on the field and dilution effects. Besides, the chiral ligand introduces the additional functions of the Cotton effect and polarization for this compound. PMID:26159885

  15. Spin crossover and solvate effects in 1D Fe{sup II} chain compounds containig Bis(dipyridylamine)-linked triazine ligands.

    SciTech Connect

    Ross, , T. M.; Moubaraki, B.; Turner, D. R.; Halder, G. J.; Chastanet, G.; Neville, S. M.; Cashion, J. D.; Letard, J. F.; Batten, S. R.; Murray, K. S.

    2011-03-01

    A series of 1D polymeric FeII spin crossover (SCO) compounds of type trans-[FeII(NCX)2(L)] Solvent has been synthesised {l_brace}L = DPPyT = 1-[4,6-bis(dipyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridin-4(1H)-one for 1-4{r_brace}; NCX = NCS- for 1 and 2, NCSe- for 3 and 4; Solvent = 2.5CH2Cl2 for 1, 2CHCl3 {center_dot} 0.5CH3OH for 2 and 4, CH2Cl2 for 3; L = DPT (6-phenoxy-N2,N2,N4,N4-tetra-2-pyridinyl-1,3,5-triazine-2,4-diamine) for 5; NCX = NCS- for 5; Solvent = 2CH3OH {center_dot} H2O for 5; L = DQT {l_brace}4-[4,6-bis(dipyridin-2-ylamino)-1,3,5-triazin-2-yloxy]phenol{r_brace} for 6-8; NCX- = NCS- for 6; Solvent = 2CH2Cl2 for 6; NCX- = NCSe- for 7; Solvent = CH2Cl2 {center_dot} CH2ClCH2Cl for 7; NCX- = NCSe- for 8; Solvent = 1.5CH2Cl2 {center_dot} 0.5CH3OH for 8. Two mononuclear complexes, trans-[FeII(NCS)2(DPT)2] {center_dot} 2CH3OH (9) and trans-[FeII(NCSe)2(DPT)2] {center_dot} 2CH3OH (10), contained the L ligand in a terminal bidentate coordination mode. As well as variations made in the NCX- ligands, variations were also made in substituent groups on the s-triazine 'core' of L to investigate their intermolecular/supramolecular role in crystal packing and, thus, their influence on SCO properties. All the complexes crystallised as solvates, and the influence of the latter on the magnetism and spin transitions was explored. A wide range of physical methods was employed, as a function of temperature, viz. crystallography, PXRD (synchrotron), susceptibilities, LIESST and Moessbauer effect, in order to probe magnetostructural correlations in these 1D families. New examples of half-crossovers, with ordered -LS-HS-LS-HS- intrachain states existing below T1/2, have been observed and comparisons made to related one- or two-step systems. All the observed transitions are gradual and non-hysteretic, and brief comments are made in relation to recent theoretical models for cooperativity, developed elsewhere.

  16. Three new 2-D metal-organic frameworks containing 1-D metal chains bridged by N-benzesulfonyl-glutamic acid: Syntheses, crystal structures and properties

    SciTech Connect

    Ma Lufang; Huo Xiankuan; Wang Liya Wang Jiange; Fan Yaoting

    2007-05-15

    To explore the possibility of obtaining the metal-organic frameworks (MOFs) bearing the bsgluH{sub 2} ligand, two new Cd(II) and one Cu(II) coordination polymers, [Cd(bsglu)(bipy)] {sub n} (1), [Cd(bsglu).(H{sub 2}O)] {sub n} (2) and {l_brace}[Cu{sub 2}(bsglu){sub 2}(bipy){sub 2}].4H{sub 2}O{r_brace} {sub n} (3) (bsglu=N-benzesulfonyl-glutamic acid bianion, bipy=2,2'-bipyridine) were synthesized and characterized by IR, elemental analysis and X-ray diffraction analysis. Compounds 1 and 3 exhibit one-dimensional coordination chains, which are further connected to form two-dimensional supramolecular networks through {pi}-{pi} aromatic stacking interactions in a novel zipper-like way. Compound 2 presents a two-dimensional layer structure. To the best of our knowledge, 2 is the first two-dimensional complex formed from transition metal and bsgluH{sub 2} ligand. Interestingly, the bsglu anion exhibits remarkable versatile coordination modes in these complexes. Fluorescent analyses show that 1 exhibits photoluminescence in the solid state. Magnetic measurements for 3 revealed that the Cu(II) chain exhibit a weak antiferromagnetic behavior with a J value of -0.606 cm{sup -1}. - Graphical abstract: Three new complexes, [Cd(bsglu)(bipy)] {sub n} (1), [Cd(bsglu).(H{sub 2}O)] {sub n} (2) and {l_brace}[Cu{sub 2}(bsglu){sub 2}(bipy){sub 2}].4H{sub 2}O{r_brace} {sub n} (3), constructed from Cd(II) or Cu(II) salt with N-benzesulfonyl-glutamic acid were synthesized and characterized. Compounds 1 and 3 exhibit one-dimensional chains which are further connected to form two-dimensional supramolecular networks through {pi}-{pi} aromatic stacking interactions in a novel zipper-like way. Compound 2 presents a two-dimensional layer structure. Luminescence of 1 and magnetic properties of 3 are also investigated.

  17. Electronic structures of reconstructed zigzag silicene nanoribbons

    SciTech Connect

    Ding, Yi E-mail: wangyanli-04@tsinghua.org.cn; Wang, Yanli E-mail: wangyanli-04@tsinghua.org.cn

    2014-02-24

    Edge states and magnetism are crucial for spintronic applications of nanoribbons. Here, using first-principles calculations, we explore structural stabilities and electronic properties of zigzag silicene nanoribbons (ZSiNRs) with Klein and pentagon-heptagon reconstructions. Comparing to unreconstructed zigzag edges, deformed bare pentagon-heptagon ones are favored under H-poor conditions, while H-rich surroundings stabilize di-hydrogenated Klein edges. These Klein edges have analogous magnetism to zigzag ones, which also possess the electric-field-induced half-metallicity of nanoribbons. Moreover, diverse magnetic states can be achieved by asymmetric Klein and zigzag edges into ZSiNRs, which could be transformed from antiferromagnetic-semiconductors to bipolar spin-gapless-semiconductors and ferromagnetic-metals depending on edge hydrogenations.

  18. Supramolecular assembled of hexameric water clusters into a 1D chain containing (H2O)6 and [(H2O)4O2] stabilized by hydrogen bonding in a copper complex

    PubMed Central

    2012-01-01

    Background Various water clusters including hexamers, heptamers, octamers, decamers and 1D or 2D infinite water chains in a number of organic and inorganic-organic hybrid hosts, have been reported. Results {[Cu(pydc)(amp)].3H2O}n has been hydrothermally synthesized and characterized by elemental analysis and by IR spectroscopy. A wide range of hydrogen bonds (of the O-H...O, N-H...O and N-H...N type) are present in the crystal structure. Hydrogen bond interactions between the co-crystallized water molecules led to formation of six-membered rings with chair conformation. Conclusion In {[Cu(pydc)(amp)].3H2O}n, there are three uncoordinated water molecules. Thermal methods confirm number of co-crystallized water molecules in polymer. Hydrogen bond interactions between the co-crystallized water molecules led to the formation of a six-membered ring with the chair conformation. These rings are part of a 1D chain containing six-membered O6 rings, which are alternately made from (H2O)6 and [(H2O)4O2] rings. [(H2O)4O2] rings are also in chair conformation. PMID:22264401

  19. 1D μ-glycine-briged copper (II) chain in complex [Cu(μ-Gly)Im(ClO4)]n and ferromagnetic interactions among copper (II)

    NASA Astrophysics Data System (ADS)

    Pan, Lu; Lv, Xue-Chuan; Luo, Guan-Hua; Gao, Xiao-Han; Tan, Zhi-Cheng

    2016-12-01

    Complex [Cu(μ-Gly)Im(ClO4)]n(Im = imidazole, and Gly = glycine) with μ-glycine-briged copper (II) chain, containing six-coordination distorted elongated octahedron, was synthesized and characterized. The complex belongs to space group P 21/c measured by X-ray single crystal diffraction. In the cluster, each Cu2+ ion are six-coordination by one nitrogen atom and two oxygen atoms of glycine, one nitrogen atoms of imidazole, and two of oxygen atoms of two perchlorate. Each Cu2+ ion has an N2O4 donor set, which forms the distorted elongated octahedron due to the Jahn-Teller (JT) effect. The magnetic and thermodynamic properties were researched. Magnetic susceptibilities of the complex showed that ferromagnetic interactions occurred between the Cu (II) atoms. The Curie-Weiss constant C = 0.565 cm3 K·mol-1 and the Weiss constant θ = 1.0585 K were given by the Curie-Weiss law The ferromagnetic nature of the interaction could be deduced as the exchange pathway of Cusbnd Osbnd Csbnd Osbnd Cu, which involved an equatorial position at one copper (II) ion and an axial position of the nearest copper (II). The complex decomposed from 511 to 538 K as two steps.

  20. The synthesis and structure of a chiral 1D aluminophosphate chain compound: d-Co(en) 3[AlP 2O 8]·6.5H 2O

    NASA Astrophysics Data System (ADS)

    Chen, Peng; Li, Jiyang; Yu, Jihong; Wang, Yu; Pan, Qinhe; Xu, Ruren

    2005-06-01

    A new chiral one-dimensional (1D) aluminophosphate chain compound [ d-Co(en) 3][AlP 2O 8]·6.5H 2O (designated AlPO-CJ22) has been hydrothermally synthesized by using the optically pure d-Co(en) 3I 3 complex as the template. Single-crystal structural analysis reveals that its structure is built up from alternating connection of AlO 4 and PO 2(=O 2) tetrahedra to form corner-shared Al 2P 2 four-membered ring (4-MR) chains. The d-Co(en) 33+ complex cations extended along the 2 1 screw axis interact with the inorganic chains through hydrogen-bonds of N⋯O atoms in a helical fashion. Optical rotation measurement shows that AlPO-CJ22 is chiral as with d-Co(en) 33+ complex cations. Crystal data: orthorhombic, I2 12 12 1, a=8.5573(8) Å, b=22.613(2) Å, c=22.605(2) Å, Z=8, R1=0.067, wR2=0.1291, and Flack parameter: -0.02(3). CCDC number: 254179.

  1. New coordination polymers from 1D chain, 2D layer to 3D framework constructed from 1,2-phenylenediacetic acid and 1,3-bis(4-pyridyl)propane flexible ligands

    SciTech Connect

    Xin Lingyun; Liu Guangzhen; Wang Liya

    2011-06-15

    The hydrothermal reactions of Cd, Zn, or Cu(II) acetate salts with H{sub 2}PHDA and BPP flexible ligands afford three new coordination polymers, including [Cd(PHDA)(BPP)(H{sub 2}O)]{sub n}(1), [Zn(PHDA)(BPP)]{sub n}(2), and [Cu{sub 2}(PHDA){sub 2}(BPP)]{sub n}(3) (H{sub 2}PHDA=1,2-phenylenediacetic acid, BPP=1,3-bis(4-pyridyl)propane). The single-crystal X-ray diffractions reveal that all three complexes feature various metal carboxylate subunits extended further by the BPP ligands to form a diverse range of structures, displaying a remarked structural sensitivity to metal(II) cation. Complex 1 containing PHDA-bridged binuclear cadmium generates 1D double-stranded chain, complex 2 results in 2D{yields}2D interpenetrated (4,4) grids, and complex 3 displays a 3D self-penetrated framework with 4{sup 8}6{sup 6}8 rob topology. In addition, fluorescent analyses show that both 1 and 2 exhibit intense blue-violet photoluminescence in the solid state. - Graphical Abstract: We show diverse supramolecular frameworks based on the same ligands (PHDA and BPP) and different metal acetate salts including 1D double-stranded chain, 2D {yields} 2D twofold interpenetrated layer, and 3D self-penetration networks. Highlights: > Three metal(II = 2 /* ROMAN ) coordination polymers were synthesized using H{sub 2}PHDA and BPP. > The diversity of structures show a remarked sensitivity to metal(II) center. > Complexes show the enhancement of fluorescence compared to that of free ligand.

  2. Syntheses, crystal structures and luminescent properties of two new 1D d {sup 1} coordination polymers constructed from 2,2'-bibenzimidazole and 1,4-benzenedicarboxylate

    SciTech Connect

    Wen Lili; Li Yizhi; Dang Dongbin; Tian Zhengfang; Ni Zhaoping; Meng Qingjin . E-mail: mengqj@nju.edu.cn

    2005-11-15

    Two novel interesting d {sup 1} metal coordination polymers, [Zn(H{sub 2}bibzim)(BDC)] {sub n} (1) and [Cd(H{sub 2}bibzim)(BDC)] {sub n} (2) [H{sub 2}bibzim=2,2'-bibenzimidazole, BDC=1,4-benzenedicarboxylate] have been synthesized under solvothermal conditions and structurally characterized. Both 1 and 2 are constructed from infinite neutral zigzag-like one-dimensional (1D) chains. The {pi}-{pi} interactions and interchain hydrogen-bonding interactions further extend the 1D arrangement to generate a 3D supramolecular architecture for 1 and 2. Both complexes have high thermal stability and display strong blue fluorescent emissions in the solid state upon photo-excitation at 365 nm at room temperature. They are the first two examples that 2,2'-bibenzimidazole has been introduced into the d {sup 1} coordination polymeric framework.

  3. A flashlamp pumped zig-zag slab dye laser

    NASA Astrophysics Data System (ADS)

    Dearth, J. J.; Vaughn, V. V.; McGowan, R. B.; Ehrlich, J.; Conrad, R. W.

    In the experiments reported here, the zig-zag principle is extended from solid slab to liquid dye lasers. A zig-zag dye laser is constructed, and the laser beam quality is observed for both straight-through and zig-zag paths. The zig-zag dye cell and its associated flashlamp pumping system are described, and thermally induced effects in the system are discussed.

  4. Supercurrent switching effect in zigzag graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Niu, Z. P.; Xing, D. Y.

    2010-11-01

    The non-equilibrium Green's function approach is applied to investigate dc Josephson currents in S/ZGNR/S junctions, where ZGNR is the zigzag graphene nanoribbon and S is the s-wave superconductor. If the middle ZGNR is half-metallic ferromagnetic, the supercurrent changes from vanishing to a finite value when the gate voltage is adjusted, exhibiting a supercurrent switching effect.

  5. Quantifying zigzag motion of quarks

    SciTech Connect

    Antonov, D.; Ribeiro, J. E. F. T.

    2010-03-01

    The quark condensate is calculated in terms of the effective string tension and the constituent quark mass. For 3 colors and 2 light flavors, the constituent mass is bounded from below by the value of 460 MeV. This value is only accessible when the string tension decreases linearly with the Schwinger proper time. For this reason, the Hausdorff dimension of a light-quark trajectory is equal to 4, indicating that these trajectories are similar to branched polymers, which can describe a weak first-order deconfinement phase transition in SU(3) Yang-Mills theory. Using this indication, we develop a gluon-chain model based on such trajectories.

  6. New coordination polymers from 1D chain, 2D layer to 3D framework constructed from 1,2-phenylenediacetic acid and 1,3-bis(4-pyridyl)propane flexible ligands

    NASA Astrophysics Data System (ADS)

    Xin, Ling-Yun; Liu, Guang-Zhen; Wang, Li-Ya

    2011-06-01

    The hydrothermal reactions of Cd, Zn, or Cu(II) acetate salts with H 2PHDA and BPP flexible ligands afford three new coordination polymers, including [Cd(PHDA)(BPP)(H 2O)] n(1), [Zn(PHDA)(BPP)] n(2), and [Cu 2(PHDA) 2(BPP)] n(3) (H 2PHDA=1,2-phenylenediacetic acid, BPP=1,3-bis(4-pyridyl)propane). The single-crystal X-ray diffractions reveal that all three complexes feature various metal carboxylate subunits extended further by the BPP ligands to form a diverse range of structures, displaying a remarked structural sensitivity to metal(II) cation. Complex 1 containing PHDA-bridged binuclear cadmium generates 1D double-stranded chain, complex 2 results in 2D→2D interpenetrated (4,4) grids, and complex 3 displays a 3D self-penetrated framework with 4 86 68 rob topology. In addition, fluorescent analyses show that both 1 and 2 exhibit intense blue-violet photoluminescence in the solid state.

  7. Zigzag configurations and air classifier performance

    SciTech Connect

    Peirce, J.; Wittenberg, N.

    1984-03-01

    The fundamental aspects of zigzag air classifier configurations are studied in terms of the design and operation of a waste-to-energy production facility. The development of a method of performance evaluation defined by operating range is examined. Historically, air classification has been used in industry and agriculture in mineral extraction, limestone sizing, and seed and grain cleaning. However, the adaption of air classifiers to resource recovery and waste-to-energy production facilities presents new problems due to the complex and variable nature of the wastes. A series of configurations providing a continuous range of zigzag classifier shape components are tested. Each configuration is evaluated to determine its efficiency of separation, and sensitivity to operating air speeds. Results indicate that the configuration of a zigzag classifier does not influence its peak efficiency of separation. However, findings point to distinct limits on operating parameters which lead to peak efficiencies for the different configurations. These operating range values represent the sensitivity of the air classifier to changes in the air flow. A major finding concerns the effect of configuration on the particle size distribution observed in the material exiting the classifier: smaller particles appear to be influenced by configuration changes and larger particles do not. A new method for classifer performance evaluation is developed and applied.

  8. Zigzag configurations and air classifier performance

    SciTech Connect

    Peirce, J.J.; Wittenberg, N.

    1984-03-01

    The fundamental aspects of zigzag air classifier configurations are studied in terms of the design and operation of a waste-to-energy production facility. The development of a method of performance evaluation defined by operating range is examined. Historically, air classification has been used in industry and agriculture in mineral extraction, limestone sizing, and seed and grain cleaning. However, the adaption of air classifiers to resource recovery and waste-to-energy production facilities presents new problems due to the complex and variable nature of the wastes. A series of configurations providing a continuous range of zigzag classifier shape components are tested. Each configuration is evaluated to determine its efficiency of separation, and sensitivity to operating air speeds. Results indicate that the configuration of a zigzag classifier does not influence its peak efficiency of separation. However, findings point to distinct limits on operating parameters which lead to peak efficiencies for the different configurations. These operating range values represent the sensitivity of the air classifier to changes in the air flow. A major finding concerns the effect of configuration on the particle size distribution observed in the material exiting the classifier: smaller particles appear to be influenced by configuration changes and larger particles do not. A new method for classifier performance evaluation is developed and applied.

  9. New 1-D and 3-D thiocyanatocadmates modified by various amine molecules and Cl(-)/CH3COO(-) ions: synthesis, structural characterization, thermal behavior and photoluminescence properties.

    PubMed

    Guo, Bing; Zhang, Xiao; Wang, Yan-Ning; Huang, Jing-Jing; Yu, Jie-Hui; Xu, Ji-Qing

    2015-03-21

    Under ambient conditions, reactions of CdCl2/Cd(CH3COO)2, SCN(-) and various organic amine molecules in strongly acidic solutions afforded the five new thiocyanatocadmates [H2(abpy)][CdCl2(SCN)2] (abpy = azobispyridine) 1, [H(apy)][Cd(SCN)3] (apy = 4-aminopyridine) 2, [H(ba)]2[CdCl2(SCN)2] (ba = tert-butylamine) 3, [H2(tmen)][Cd3Cl6(SCN)2] (tmen = N,N,N',N'-tetramethylethylenediamine) 4, and [H(dba)]2[Cd2(CH3COO)2(SCN)4] (dba = dibutylamine) 5. In compound 2 only, the CH3COO(-) ions in Cd(CH3COO)2 were completely displaced by SCN(-), producing a chained thiocyanatocadmate [Cd(SCN)3](-). In the other four compounds, the Cl(-) or CH3COO(-) ions appeared in the final inorganic anion frameworks. In compound 1, the Cl(-) ions doubly bridge the Cd(2+) centers, forming a one-dimensional (1-D) infinite chain, and the SCN(-) group exists in a terminal form, whereas in compound 3, the reverse situation is observed. Due to a trans-mode arrangement for two terminal Cl(-) or SCN(-) ions around each Cd(2+) center, the inorganic anion chains in compounds 1 and 3 both show a linear shape. In compound 4, Cd(2+) and Cl(-) first aggregate to form a 1-D endless chain with a composition of Cd3Cl6, which can be described as a linear arrangement of the open double cubanes. SCN(-) serves as the second connector, propagating the Cd3Cl6 chain into a three-dimensional (3-D) network with the occluded H2(tmen)(2+) cations. In compound 5, the SCN(-) groups doubly bridge the Cd(2+) centers, forming a 1-D zigzag-shape chain. The formation of the zigzag chain likely derives from chelation of the CH3COO(-) group to the Cd(2+) center. The thermal behavior and the photoluminescence properties of the title compounds were also investigated. PMID:25669175

  10. Structure and Stability of Monatomic Metallic Chains

    NASA Astrophysics Data System (ADS)

    Batra, Inder P.; Sen, Prasenjit; Ciraci, S.

    2001-03-01

    We have investigated atomic and electronic structure of Au and Al monatomic chains by using first-principle plane wave method within density-functional theory. Despite their different valencies, Au and Al form planar zigzag chains with each atom having four nearest neighbors. The zigzag structure is stable against linearization and non-planar deformations. We performed an extensive charge density analysis and finite temperature calculations to reveal the origin of the unusual atomic structure in these one dimensional metallic systems. The implications of the zigzag structure on the electronic properties and the balistic electron conduction have been examined.

  11. Boron nitride zigzag nanoribbons: optimal thermoelectric systems.

    PubMed

    Zberecki, K; Swirkowicz, R; Barnaś, J

    2015-09-14

    Conventional and spin related thermoelectric effects in zigzag boron nitride nanoribbons are studied theoretically within the Density Functional Theory (DFT) approach. Nanoribbons with edges passivated with hydrogen, as well as those with bare edges are analyzed. It is shown that one spin channel in the nanoribbons of 0HB-0HN and 2HB-1HN types becomes nonconductive slightly above the Fermi level, and therefore such nanoribbons reveal remarkable spin related thermoelectric phenomena and are promising materials for thermoelectric nanodevices. Thermoelectricity in BN nanoribbons of other types is less efficient and therefore these materials are less interesting for applications. PMID:26250512

  12. Zigzag laser with reduced optical distortion

    DOEpatents

    Albrecht, Georg F.; Comaskey, Brian; Sutton, Steven B.

    1994-01-01

    The architecture of the present invention has been driven by the need to solve the beam quality problems inherent in Brewster's angle tipped slab lasers. The entrance and exit faces of a solid state slab laser are cut perpendicular with respect to the pump face, thus intrinsically eliminating distortion caused by the unpumped Brewster's angled faces. For a given zigzag angle, the residual distortions inherent in the remaining unpumped or lightly pumped ends may be reduced further by tailoring the pump intensity at these ends.

  13. Zigzag laser with reduced optical distortion

    DOEpatents

    Albrecht, G.F.; Comaskey, B.; Sutton, S.B.

    1994-04-19

    The architecture of the present invention has been driven by the need to solve the beam quality problems inherent in Brewster's angle tipped slab lasers. The entrance and exit faces of a solid state slab laser are cut perpendicular with respect to the pump face, thus intrinsically eliminating distortion caused by the unpumped Brewster's angled faces. For a given zigzag angle, the residual distortions inherent in the remaining unpumped or lightly pumped ends may be reduced further by tailoring the pump intensity at these ends. 11 figures.

  14. Stability analysis of zigzag boron nitride nanoribbons

    SciTech Connect

    Rai, Hari Mohan Late, Ravikiran; Saxena, Shailendra K.; Kumar, Rajesh; Sagdeo, Pankaj R.; Jaiswal, Neeraj K.; Srivastava, Pankaj

    2015-05-15

    We have explored the structural stability of bare and hydrogenated zigzag boron nitride nanoribbons (ZBNNRs). In order to investigate the structural stability, we calculate the cohesive energy for bare, one-edge and both edges H-terminated ZBNNRs with different widths. It is found that the ZBNNRs with width Nz=8 are energetically more favorable than the lower-width counterparts (Nz<8). Bare ZBNNRs have been found energetically most stable as compared to the edge terminated ribbons. Our analysis reveals that the structural stability is a function of ribbon-width and it is not affected significantly by the type of edge-passivation (one-edge or both-edges)

  15. A dislocation model for the pentagon-heptagon pair in zigzag single-walled carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Wang, Shao Feng; Zhang, Hui Li; Zhi Wu, Xiao

    2010-06-01

    The pentagon-heptagon (5/7) pair in a zigzag single-walled carbon nanotube (SWCNT) is described as a dislocation by the modified Peierls-Nabarro (P-N) theory. The theory takes discrete effects, size effects and curvature effects into account. The bonds variation and shape distortion caused by 5/7 pair have been evaluated. It is found that the neck bond (shared bond) becomes longer while the shoulder bonds become shorter comparing with the one of the hexagons. The results show that the zigzag chain across the center of the 5/7 pair will bend slightly in the axis direction towards the heptagon, and the tube will be flattened where the 5/7 pair is located because of the appearance of the internal stress and nonzero curvature.

  16. Electric gating induced bandgaps and enhanced Seebeck effect in zigzag bilayer graphene ribbons

    NASA Astrophysics Data System (ADS)

    Vu, Thanh-Tra; Tran, Van-Truong

    2016-08-01

    We theoretically investigate the effect of a transverse electric field generated by side gates and a vertical electric field generated by top/back gates on energy bands and transport properties of zigzag bilayer graphene ribbons (Bernal stacking). Using atomistic tight binding calculations and Green’s function formalism we demonstrate that a bandgap is opened when either field is applied and even enlarged under simultaneous influence of the two fields. Interestingly, although vertical electric fields are widely used to control the bandgap in bilayer graphene, here we show that transverse fields exhibit a more positive effect in terms of modulating a larger range of bandgap and retaining good electrical conductance. The Seebeck effect is also demonstrated to be enhanced strongly—by about 13 times for a zigzag bilayer graphene ribbon with 16 chain lines. These results may motivate new designs of devices made of bilayer graphene ribbons using electric gates.

  17. Crystal orbital study on the double walls made of nanotubes encapsulated inside zigzag carbon nanotubes

    SciTech Connect

    Zhao, Xin; Qiao, Weiye; Li, Yuliang; Huang, Yuanhe

    2015-01-15

    The structure stabilities and electronic properties are investigated by using ab initio self-consistent-field crystal orbital method based on density functional theory for the one-dimensional (1D) double-wall nanotubes made of n-gon SiO{sub 2} nanotubes encapsulated inside zigzag carbon nanotubes. It is found that formation of the combined systems is energetically favorable when the distance between the two constituents is around the Van der Waals scope. The obtained band structures show that all the combined systems are semiconductors with nonzero energy gaps. The frontier energy bands (the highest occupied band and the lowest unoccupied band) of double-wall nanotubes are mainly derived from the corresponding carbon nanotubes. The mobilities of charge carriers are calculated to be within the range of 10{sup 2}–10{sup 4} cm{sup 2} V{sup −1} s{sup −1} for the hybrid double-wall nanotubes. Young’s moduli are also calculated for the combined systems. For the comparison, geometrical and electronic properties of n-gon SiO{sub 2} nanotubes are also calculated and discussed. - Graphical abstract: Structures and band structures of the optimum 1D Double walls nanotubes. The optimized structures are 3-gon SiO2@(15,0), 5-gon SiO2@(17,0), 6-gon SiO2@(18,0) and 7-gon SiO2@(19,0). - Highlights: • The structure and electronic properties of the 1D n-gon SiO{sub 2}@(m,0)s are studied using SCF-CO method. • The encapsulation of 1D n-gon SiO{sub 2} tubes inside zigzag carbon nanotubes can be energetically favorable. • The 1D n-gon SiO{sub 2}@(m,0)s are all semiconductors. • The mobility of charge carriers and Young’s moduli are calculated.

  18. Magnetism of zigzag edge phosphorene nanoribbons

    SciTech Connect

    Zhu, Zhili E-mail: jiayu@zzu.edu.cn; Li, Chong; Yu, Weiyang; Chang, Dahu; Sun, Qiang; Jia, Yu E-mail: jiayu@zzu.edu.cn

    2014-09-15

    We have investigated, by means of ab initio calculations, the electronic and magnetic structures of zigzag edge phosphorene nanoribbons (ZPNRs) with various widths. The stable magnetic state was found in pristine ZPNRs by allowing the systems to be spin-polarized. The ground state of pristine ZPNRs prefers ferromagnetic order in the same edge but antiferromagnetic order between two opposite edges. The magnetism arises from the dangling bond states as well as edge localized π-orbital states. The presence of a dangling bond is crucial to the formation of the magnetism of ZPNRs. The hydrogenated ZPNRs get nonmagnetic semiconductors with a direct band gap. While, the O-saturated ZPNRs show magnetic ground states due to the weak P-O bond in the ribbon plane between the p{sub z}-orbitals of the edge O and P atoms.

  19. Quantum conductance of zigzag graphene oxide nanoribbons

    SciTech Connect

    Kan, Zhe; Nelson, Christopher; Khatun, Mahfuza

    2014-04-21

    The electronic properties of zigzag graphene oxide nanoribbons (ZGOR) are presented. The results show interesting behaviors which are considerably different from the properties of the perfect graphene nanoribbons (GNRs). The theoretical methods include a Huckel-tight binding approach, a Green's function methodology, and the Landauer formalism. The presence of oxygen on the edge results in band bending, a noticeable change in density of states and thus the conductance. Consequently, the occupation in the valence bands increase for the next neighboring carbon atom in the unit cell. Conductance drops in both the conduction and valence band regions are due to the reduction of allowed k modes resulting from band bending. The asymmetry of the energy band structure of the ZGOR is due to the energy differences of the atoms. The inclusion of a foreign atom's orbital energies changes the dispersion relation of the eigenvalues in energy space. These novel characteristics are important and valuable in the study of quantum transport of GNRs.

  20. Performance of zigzag corrugated furrows in Bolivia

    NASA Astrophysics Data System (ADS)

    Roldán Cañas, J.; Chipana, R.; Moreno-Pérez, M. F.; Chipana, G.

    2012-04-01

    In Bolivia, irrigation area is estimated in more than 250000 ha, being surface irrigation the most common method. In highland areas (Altiplano) and in interandean valleys, traditional and ancestral irrigation systems such as flood irrigation, contour furrows, zigzag corrugated furrows, suka kollus and irrigation by kanis, are the most important. In the case of very steep terrains and shallow soils, the zigzag corrugated irrigation method is very frequent. This irrigation method has been used for a long time but their low application efficiency and the shortage of water justify this work devoted to their characterization and to study their performance. The experimental study was conducted southeast of the city of La Paz in the community of Cebollino located at 2600 meters above sea level. Furrow characteristics vary in function of crop type and soil slope, so that the larger the slope the greater the separation between furrows. In our case, the crop chosen was the lettuce and the experimental plot had an area of 800 m2 with a slope ranging between 14 and 18%. Blocks of corrugated furrows were identified and experimental measures were made during each irrigation, once per week, in the central blocks to avoid border effects. To determine advance curves 15 stations were used spaced 18 m. At each station, advance and recession time and infiltration depth were measured. Inlet and outlet flow were controlled each 5 min. To calculate the reference evapotranspiration, the Hargraves-Samani equation was used. Due to the very high terrain slopes, the advance curve takes a linear form rather than the typical exponential form. This hinders the proper calculation of the parameters of the Kostiakov-Lewis equation used to determine the infiltrated depth values. The inlet flow range, along irrigation events, between 0.01 and 0.085 L/s due to the uncontrolled use of water in fields located upstream. The large variability of inflow flow difficult irrigation management especially in

  1. Adiabatic quantum pump in a zigzag graphene nanoribbon junction

    NASA Astrophysics Data System (ADS)

    Zhang, Lin

    2015-11-01

    The adiabatic electron transport is theoretically studied in a zigzag graphene nanoribbon (ZGNR) junction with two time-dependent pumping electric fields. By modeling a ZGNR p-n junction and applying the Keldysh Green’s function method, we find that a pumped charge current is flowing in the device at a zero external bias, which mainly comes from the photon-assisted tunneling process and the valley selection rule in an even-chain ZGNR junction. The pumped charge current and its ON and OFF states can be efficiently modulated by changing the system parameters such as the pumping frequency, the pumping phase difference, and the Fermi level. A ferromagnetic ZGNR device is also studied to generate a pure spin current and a fully polarized spin current due to the combined spin pump effect and the valley valve effect. Our finding might pave the way to manipulate the degree of freedom of electrons in a graphene-based electronic device. Project supported by the National Natural Science Foundation of China (Grant No. 110704033), the Natural Science Foundation of Jiangsu Province, China (Grant No. BK2010416), and the Natural Science Foundation for Colleges and Universities in Jiangsu Province, China (Grant No. 13KJB140005).

  2. Ferromagnetic properties in low-doped zigzag graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Li, Shuaiyu; Tian, Lin; Shi, Lingli; Wen, Lin; Ma, Tianxing

    2016-03-01

    The temperature-dependent edge magnetic susceptibility {χ\\text{e}} and the uniform magnetic susceptibility χ in zigzag graphene nanoribbons is studied within the Hubbard model on a honeycomb lattice. By using the determinant quantum Monte Carlo (DQMC) method, it is found that the ferromagnetic fluctuations at the zigzag edge dominate around half-filling, and that the fluctuations are strengthened markedly by the on-site Coulomb interaction U, which may lead to a possible high-temperature edge ferromagnetic behaviour in low-doped zigzag graphene nanoribbons.

  3. Topological order-by-disorder in orbitally degenerate dipolar bosons on a zigzag lattice

    NASA Astrophysics Data System (ADS)

    Sun, G.; Vekua, T.

    2014-09-01

    Spinor bosons offer a conceptually simple picture of macroscopic quantum behavior of topological order-by-disorder: The paramagnetic state of two-component dipolar bosons in an orbitally degenerate zigzag lattice is unstable against infinitesimal quantum fluctuations of orbitals, λ, towards developing nonlocal hidden order. Adjacent to the topological state a locally correlated exact ground state with spontaneously a quadrupoled lattice constant is realized for the broad parameter regime. The topological order is extremely robust surviving the λ →∞ limit where the ground state evolves into the Majumdar-Ghosh state of a frustrated spin-1/2 chain.

  4. A permalloy zigzag structure based magnetic bio-sensor

    NASA Astrophysics Data System (ADS)

    Ger, Tzong-Rong; Xu, You-Ren; Huang, Hao-Ting; Wei, Zung-Hang

    2012-04-01

    A magnetic fluid consisting of Fe3O4 magnetic nanoparticles is embedded inside cells by intracellular uptake. A micro-fabricated magnetic zigzag-shaped surface structure is studied for use as a biosensor. We have developed a MOKE magnetometer based methodology to measure the different hysteresis loop signals between cells with and without being placed on zigzag sensors. Adding the magnetic cells on the structure decreases the coercivity from the magneto-optical Kerr effect (MOKE) signal of zigzag magnetic thin films because of the magnetic properties of superparamagnetic nanoparticles. The magnetoresistance measurement observed is that the switching fields of the zigzag structure with magnetic cells are significantly increased compared to the case without cells in the hard axis of the external field applied.

  5. Transport properties of zigzag graphene nanoribbon decorated with copper clusters

    SciTech Connect

    Berahman, M.; Sheikhi, M. H.

    2014-09-07

    Using non-equilibrium green function with density functional theory, the present study investigates the transport properties of decorated zigzag graphene nanoribbon with a copper cluster. We have represented the decoration of zigzag graphene nanoribbon with single copper atom and cluster containing two and three copper atoms. In all the cases, copper atoms tend to occupy the edge state. In addition, we have shown that copper can alter the current-voltage characteristic of zigzag graphene nanoribbon and create new fluctuations and negative differential resistance. These alternations are made due to discontinuity in the combination of orbitals along the graphene nanoribbon. Decoration alters these discontinuities and creates more visible fluctuations. However, in low bias voltages, the changes are similar in all the cases. The study demonstrates that in the decorated zigzag graphene nanoribbon, the edge states are the main states for transporting electron from one electrode to another.

  6. Edge states of zigzag bilayer graphite nanoribbons

    NASA Astrophysics Data System (ADS)

    Rhim, Jun-Won; Moon, Kyungsun

    2008-09-01

    The electronic structures of zigzag bilayer graphite nanoribbons (Z-BGNRs) with various ribbon widths N are studied within the tight binding approximation. Neglecting the inter-layer hopping amplitude γ4, which is an order of magnitude smaller than the other inter-layer hopping parameters, there exist two fixed Fermi points ± k* independent of the ribbon width with a peculiar energy dispersion near k* as ɛ(k)~ ± (k-k*)N. By investigating the edge states of Z-BGNRs, we notice that the trigonal warping of the bilayer graphene sheets is reflected in the edge state structure. With the inclusion of γ4, the above two Fermi points are not fixed but drift toward the vicinity of the Dirac point with increasing width N, as shown by the finite scaling method, and the peculiar dispersions change to parabolic ones. The edge magnetism of Z-BGNRs is also examined by solving the half-filled Hubbard Hamiltonian for the ribbon using the Hartree-Fock approximation. We have shown that within the same side of the edges, the edge spins are aligned ferromagnetically for the experimentally relevant set of parameters.

  7. Unraveling metamaterial properties in zigzag-base folded sheets.

    PubMed

    Eidini, Maryam; Paulino, Glaucio H

    2015-09-01

    Creating complex spatial objects from a flat sheet of material using origami folding techniques has attracted attention in science and engineering. In the present work, we use the geometric properties of partially folded zigzag strips to better describe the kinematics of known zigzag/herringbone-base folded sheet metamaterials such as Miura-ori. Inspired by the kinematics of a one-degree of freedom zigzag strip, we introduce a class of cellular folded mechanical metamaterials comprising different scales of zigzag strips. This class of patterns combines origami folding techniques with kirigami. Using analytical and numerical models, we study the key mechanical properties of the folded materials. We show that our class of patterns, by expanding on the design space of Miura-ori, is appropriate for a wide range of applications from mechanical metamaterials to deployable structures at small and large scales. We further show that, depending on the geometry, these materials exhibit either negative or positive in-plane Poisson's ratios. By introducing a class of zigzag-base materials in the current study, we unify the concept of in-plane Poisson's ratio for similar materials in the literature and extend it to the class of zigzag-base folded sheet materials. PMID:26601253

  8. Unraveling metamaterial properties in zigzag-base folded sheets

    PubMed Central

    Eidini, Maryam; Paulino, Glaucio H.

    2015-01-01

    Creating complex spatial objects from a flat sheet of material using origami folding techniques has attracted attention in science and engineering. In the present work, we use the geometric properties of partially folded zigzag strips to better describe the kinematics of known zigzag/herringbone-base folded sheet metamaterials such as Miura-ori. Inspired by the kinematics of a one–degree of freedom zigzag strip, we introduce a class of cellular folded mechanical metamaterials comprising different scales of zigzag strips. This class of patterns combines origami folding techniques with kirigami. Using analytical and numerical models, we study the key mechanical properties of the folded materials. We show that our class of patterns, by expanding on the design space of Miura-ori, is appropriate for a wide range of applications from mechanical metamaterials to deployable structures at small and large scales. We further show that, depending on the geometry, these materials exhibit either negative or positive in-plane Poisson’s ratios. By introducing a class of zigzag-base materials in the current study, we unify the concept of in-plane Poisson’s ratio for similar materials in the literature and extend it to the class of zigzag-base folded sheet materials. PMID:26601253

  9. Encapsulated discrete octameric water cluster, 1D water tape, and 3D water aggregate network in diverse MOFs based on bisimidazolium ligands

    NASA Astrophysics Data System (ADS)

    Shi, Ruo-Bing; Pi, Min; Jiang, Shuang-Shuang; Wang, Yuan-Yuan; Jin, Chuan-Ming

    2014-08-01

    Four new metal-organic frameworks, [Zn(2-mBIM)2(SO3CF3)2·(H2O)4] (1), [Zn(BMIE)(1,4-BDC)]·(H2O)3 (2), [Cd(BIM)2(OH)(H2O)2(PF6)]·(H2O)4 (3), and [Cd(PA-BIM)2 (ClO4)2]·11.33H2O (4) (2-mBIM = bis(2-methylimidazol-1-yl)methane, BMIE = 1,2-bis[1-(2-methylimidazole)-diethoxy]ethane, BIM = bis(imidazol-1-yl)methane, and PA-BIM = 1,1-bis [(2-phenylazo)imidazol-1-yl]methane) have been prepared and structurally characterized. Complex 1 exhibits an infinite 1D cationic beaded-chain structure, which encapsulated discrete octameric water clusters that are comprised of a chair-like hexameric water cluster with two extra water molecules dangling on two diagonal vertices of the chair. Complex 2 forms a 1D infinite zigzag metal-organic chain structure with a 1D T4(0)A(4) water tape. Complexes 3 show a 2D grid-like sheet structure with the 1D water tape T4(0)A(0)2(0) motif. Complex 4 is a porous 3D MOF with tetrahedron-coordinated Cd(II) centers and trans-conformation PA-BIM ligands. These holes are occupied by a fascinating three-dimensional water clathrate network, which consists of cage-shaped structural tetradecameric water cluster (H2O)14 units and six independent bridged water molecules. The results suggest that the bisimidazolium ligands and anions play crucial roles in the formation of the different host structures and different guest water aggregations. Additionally, the thermal stabilities and photoluminescence spectra of the complexes have been discussed.

  10. From 1D chain to 3D network: a new family of inorganic-organic hybrid semiconductors MO3(L)(x) (M = Mo, W; L = organic linker) built on perovskite-like structure modules.

    PubMed

    Zhang, Xiao; Hejazi, Mehdi; Thiagarajan, Suraj J; Woerner, William R; Banerjee, Debasis; Emge, Thomas J; Xu, Wenqian; Teat, Simon J; Gong, Qihan; Safari, Ahmad; Yang, Ronggui; Parise, John B; Li, Jing

    2013-11-20

    MO3 (M = Mo, W) or VI-VI binary compounds are important semiconducting oxides that show great promise for a variety of applications. In an effort to tune and enhance their properties in a systematic manner we have applied a designing strategy to deliberately introduce organic linker molecules in these perovskite-like crystal lattices. This approach has led to a wealth of new hybrid structures built on one-dimensional (1D) and two-dimensional (2D) VI-VI modules. The hybrid semiconductors exhibit a number of greatly improved properties and new functionality, including broad band gap tunability, negative thermal expansion, largely reduced thermal conductivity, and significantly enhanced dielectric constant compared to their MO3 parent phases. PMID:24152119

  11. Synthesis, crystal structure and properties of two 1D nano-chain coordination polymers constructed by lanthanide with pyridine-3,4-dicarboxylic acid and 1,10-phenanthroline

    SciTech Connect

    Song Huihua Li Yajuan; Song You; Han Zhangang; Yang Fang

    2008-05-15

    The hydrothermal reactions of LnCl{sub 3}.6H{sub 2}O (Ln=Eu, Tb), pyridine-3,4-dicarboxylic acid (3,4-pydaH{sub 2}), 1,10-phenthroline (phen) and NaOH in aqueous medium yield two metal-organic hybrid materials, [Eu{sub 2}(3,4-pyda){sub 3}(phen)(H{sub 2}O).H{sub 2}O]{sub n} (1) and [Tb{sub 2}(3,4-pyda){sub 3}(phen)(H{sub 2}O).H{sub 2}O]{sub n} (2), respectively. Both compounds have similar topology structure containing one-dimensional nano-chain, which is further assembled into a three-dimensional supramolecular network via {pi}-{pi} stacking interactions and hydrogen bonds. To the best of our knowledge, they represent the first example of nano-chain coordination polymers constructed by 3,4-pydaH{sub 2} and chelate heterocylic ligand. Interestingly, the 3,4-pyda anion exhibits three kinds of coordination modes in these complexes. The coordination modes of 3,4-pyda in complexes 1 and 2 have not been observed in other coordination polymers containing 3,4-pyda ligands. Compounds 1 and 2 exhibit strong fluorescent emission bands in the solid state at room temperature. Their magnetic analyses show that they exhibit different magnetic interactions. - Graphical abstract: Two novel lanthanide coordination polymers [M{sub 2}(pydc){sub 3}(phen)(H{sub 2}O).H{sub 2}O]{sub n} (M=Eu(1) and Tb(2), pydc=pyridine-3,4-dicarboxylate, phen=1,10-phenthroline) have been synthesized and characterized. Both compounds reveal a one-dimensional nano-chain, which is further assembled into a three-dimensional supramolecular network via {pi}-{pi} stacking interactions and hydrogen bonds. Their luminescent and magnetic properties have been investigated.

  12. Analysis of composite laminates with a generalized zigzag theory

    SciTech Connect

    Liu, D.; Li, X.

    1994-12-31

    This study presents a generalized expression for laminate theories, namely a generalized zigzag theory. It unifies shear deformation theories, layerwise theories, and zigzag theories. To begin with, two layer-dependent variables are assumed for each in-plane displacement components. The layer-dependent variables can be converted into layer-independent variables through the enforcement of continuity conditions for both interlaminar displacements and interlaminar shear stresses. The total number of degrees-of-freedom of the theory then becomes layer-number independent and the computational efficiency is thus guaranteed. Since the properties of individual layers are considered in the analysis, the generalized zigzag theory gives excellent in-plane displacements and stresses in the cases examined by Pagano. Satisfactory transverse shear stresses can also be obtained directly from the constitutive equations. Although the interlaminar normal stresses are not forced to be continuous on the laminate interfaces, the discrepancy seems to be very insignificant.

  13. Zigzag-shaped piezoelectric based high performance magnetoelectric laminate composite

    NASA Astrophysics Data System (ADS)

    Cho, Kyung-Hoon; Yan, Yongke; Folgar, Christian; Priya, Shashank

    2014-06-01

    We demonstrate a 33-mode piezoelectric structure with zigzag shape for high sensitivity magnetoelectric laminates. In contrast to the 33-mode macro fiber composite (MFC), this zigzag shape piezoelectric layer excludes epoxy bonding layer between the electrode and piezoelectric materials, thereby, significantly improving the polarization degree, electromechanical coupling, and the stability of loss characteristics. The polarization degree was monitored from the change in phase angle near resonance, and the loss stability was determined from the changes in dielectric loss and rate of capacitance variation defined by (C - Cf)/Cf, where C is capacitance at a given frequency and Cf is capacitance at 100 Hz. Magnetoelectric composite with zigzag patterned piezoelectric layer was found to exhibit giant magnetoelectric response both in low frequency off-resonance region (6.75 V cm-1 Oe-1 at 1 kHz) and at anti-resonance frequency (357 V cm-1 Oe-1).

  14. Light-Induced Ion Rectification in Zigzag Nanochannels.

    PubMed

    Li, Chuanshuai; Hu, Shimin; Yang, Lei; Fan, Jiajie; Yao, Zhiqiang; Zhang, Yiqiang; Shao, Guosheng; Hu, Junhua

    2015-12-01

    Ion transport through nanoporous systems has attracted broad interest due to its crucial role in physiological processes in living organisms and artificial bionic devices. In this work, a nanochannel system with a zigzag inner surface was fabricated by using a two-step anodizing technique. The rectification performance of the zigzag channels was observed by I-V measurement in KCl solution. Unlike channels with asymmetric geometry, the mechanism was analyzed based on the "point effect" of charge distribution and "shape effect" of the zigzag channel. The current rectification ratio decreases from nearly 3.0 to 1.0 when the KCl concentration increased from 0.1 mM to 100 mM. The fabrication of different nanopore systems and exploration of novel mechanisms will help to develop biomimetic membranes for practical applications. PMID:26255623

  15. Selective bundling of zigzag single-walled carbon nanotubes.

    PubMed

    Blum, Carolin; Stürzl, Ninette; Hennrich, Frank; Lebedkin, Sergei; Heeg, Sebastian; Dumlich, Heiko; Reich, Stephanie; Kappes, Manfred M

    2011-04-26

    A simple, high throughput fractionation procedure for aqueous/SDS (sodium dodecyl sulfate) suspensions of single-walled carbon nanotubes (SWNTs) is presented, which yields thin bundles of semiconducting-SWNTs with small chiral angles. To demonstrate this we show the photoluminescence signatures of nanotube suspensions that contain almost exclusively zigzag and near-zigzag tubes. Starting suspensions and resulting fractions were characterized using optical absorption, resonance Raman and photoluminescence spectroscopies as well as scanning force microscopy. Taken together with literature observations, our findings suggest that near zigzag edge tubes of similar diameters in a bundle are harder to separate from each other than for other chiral index combinations. We discuss the implications of these observations for SWNT growth and dispersion. PMID:21410134

  16. Bipolar spin-filtering effect in B- or N-doped zigzag graphene nanoribbons with asymmetric edge hydrogenation

    NASA Astrophysics Data System (ADS)

    Wang, Li-hua; Zhang, Zi-zhen; Zhao, Jian-Guo; Ding, Bing-jun; Guo, Yong; Jin, Chun

    2015-11-01

    The spin transport properties of zigzag graphene nanoribbon (ZGNR) hetero-junctions, in which ZGNR electrodes are doped with B or N atoms, are investigated based on spin-polarized density functional theory and non-equilibrium Green's function. ZGNRs are C-H2 bonded at one edge and C-H bonded at the other edge to form asymmetric edge hydrogenation. The spin-polarized currents of ZGNR-based nano-devices with an odd or even number of the zigzag-shaped chains show a perfect bipolar spin-filtering effect on parallel and anti-parallel magnetic configurations. This study provides insights into the design of high-performance graphene-based spin filters.

  17. Syntheses, structures, and properties of two novel cadmium coordination polymers with 1D and 2D structures

    NASA Astrophysics Data System (ADS)

    Yan, Li; Li, Chuanbi; Zhu, Dongsheng; Xu, Lin

    2011-09-01

    Two novel complexes [Cd 2(MIP) 2(BDC) 2]n ( 1) [MIP = 2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline, BDC = terephthalic acid] and [Cd(IPM)(NDC)]n ( 2) [IPM = 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methoxyphenol, NDC = naphthalene-1,4-dicarboxylic acid] have been synthesized by hydrothermal reaction and characterized by elemental analysis, IR, single-crystal X-ray diffraction and thermogravimetric analysis (TGA). Complex 1 exhibits 1D zigzag chain structure and complex 2 shows 2D layer topology. The intermolecular C sbnd H⋯O interactions extend the complex 1 into 2D networks, and the existing H-bonds further stabilized the complexes 1-2, which can be proved by TGA experiment. Furthermore, the solid-state fluorescence spectrum of the complex 2 was studied, as well as the ligand IPM. The complex 2 exhibits intense broad emission at 540 nm at room temperature, which is red-shifted by 45 nm relative to that of free ligand IPM.

  18. A Refined Zigzag Beam Theory for Composite and Sandwich Beams

    NASA Technical Reports Server (NTRS)

    Tessler, Alexander; Sciuva, Marco Di; Gherlone, Marco

    2009-01-01

    A new refined theory for laminated composite and sandwich beams that contains the kinematics of the Timoshenko Beam Theory as a proper baseline subset is presented. This variationally consistent theory is derived from the virtual work principle and employs a novel piecewise linear zigzag function that provides a more realistic representation of the deformation states of transverse-shear flexible beams than other similar theories. This new zigzag function is unique in that it vanishes at the top and bottom bounding surfaces of a beam. The formulation does not enforce continuity of the transverse shear stress across the beam s cross-section, yet is robust. Two major shortcomings that are inherent in the previous zigzag theories, shear-force inconsistency and difficulties in simulating clamped boundary conditions, and that have greatly limited the utility of these previous theories are discussed in detail. An approach that has successfully resolved these shortcomings is presented herein. Exact solutions for simply supported and cantilevered beams subjected to static loads are derived and the improved modelling capability of the new zigzag beam theory is demonstrated. In particular, extensive results for thick beams with highly heterogeneous material lay-ups are discussed and compared with corresponding results obtained from elasticity solutions, two other zigzag theories, and high-fidelity finite element analyses. Comparisons with the baseline Timoshenko Beam Theory are also presented. The comparisons clearly show the improved accuracy of the new, refined zigzag theory presented herein over similar existing theories. This new theory can be readily extended to plate and shell structures, and should be useful for obtaining relatively low-cost, accurate estimates of structural response needed to design an important class of high-performance aerospace structures.

  19. On the Importance of Noncovalent Carbon-Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as a Precursor of a Novel 2D Coordination Polymer.

    PubMed

    Pal, Pampi; Konar, Saugata; Lama, Prem; Das, Kinsuk; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata

    2016-07-14

    A new cobalt(II) coordination polymer 2 with μ1,5 dicyanamide (dca) and a bidentate ligand 3,5-dimethyl-1-(2'-pyridyl)pyrazole (pypz) is prepared in a stepwise manner using the newly synthesized one-dimensional linear Co(II) coordination polymer 1 as a precursor. The structural and thermal characterizations elucidate that the more stable complex 2 shows a two-dimensional layer structural feature. Here, Co(II) atoms with μ1,5 dicyanamido bridges are linked by the ligand pypz forming a macrocyclic chain that runs along the crystallographic 'c' axis having 'sql' (Shubnikov notation) net topology with a 4-connected uninodal node having point symbol {4(4).6(2)}. The remarkable noncovalent carbon-bonding contacts detected in the X-ray structure of compound 1 are analyzed and characterized by density functional theory calculations and the analysis of electron charge density (atoms in molecules). PMID:27295490

  20. A pure inorganic 1D chain based on {Mo8O28} clusters and Mn(II) ions: [Mn(H2O)2Mo8O28 ] n 6 n -

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaofen; Yan, Yonghong; Wu, Lizhou; Yu, Chengxin; Dong, Xinbo; Hu, Huaiming; Xue, Ganglin

    2016-01-01

    A new pure inorganic polymer, (NH4)6n[Mn(H2O)2Mo8O28)]n(H2O)2n(1), has been synthesized and characterized by elemental analyses, IR spectrum, UV-vis absorption spectra, TG-DSC and electrochemical studies. In 1, [Mo8O28]8- anions act as tetradentate ligands and are alternately linked by Mn(H2O)2 2 + ions into a one-dimensional chain structure. It is interesting that 1 represents the first example of pure inorganic-inorganic hybrid based on octamolybdate and transition metal ions. Moreover, it was indicated that 1 had definite catalytic activities on the probe reaction of benzyl alcohol oxidation to benzaldehyde with H2O2.

  1. Consider zig-zag impeller for desalination projects

    SciTech Connect

    O'Keefe, W.

    1993-10-01

    This article describes the application of a novel pump with a zig-zag impeller that is suited for vapor condensation. The pump is proposed to be used as the vapor condensation portion of a vapor desalination plant. Small scale testing is currently under way. No additional heat needs to be added to the seawater which boils by application of a vacuum to the desalting tank. The zig-zag pump then condenses the resulting pure water vapor and pumps it to a holding tank.

  2. Electronic Conduction through Atomic Chains, Quantum Well and Quantum Wire

    NASA Astrophysics Data System (ADS)

    Sharma, A. C.

    2011-07-01

    Charge transport is dynamically and strongly linked with atomic structure, in nanostructures. We report our ab-initio calculations on electronic transport through atomic chains and the model calculations on electron-electron and electron-phonon scattering rates in presence of random impurity potential in a quantum well and in a quantum wire. We computed synthesis and ballistic transport through; (a) C and Si based atomic chains attached to metallic electrodes, (b) armchair (AC), zigzag (ZZ), mixed, rotated-AC and rotated-ZZ geometries of small molecules made of 2S, 6C & 4H atoms attaching to metallic electrodes, and (c) carbon atomic chain attached to graphene electrodes. Computed results show that synthesis of various atomic chains are practically possible and their transmission coefficients are nonzero for a wide energy range. The ab-initio calculations on electronic transport have been performed with the use of Landauer-type scattering formalism formulated in terms of Grben's functions in combination with ground-state DFT. The electron-electron and electron-phonon scattering rates have been calculated as function of excitation energy both at zero and finite temperatures for disordered 2D and 1D systems. Our model calculations suggest that electron scattering rates in a disordered system are mainly governed by effective dimensionality of a system, carrier concentration and dynamical screening effects.

  3. Discrete hexamer water clusters and 2D water layer trapped in three luminescent Ag/tetramethylpyrazine/benzene-dicarboxylate hosts: 1D chain, 2D layer and 3D network

    NASA Astrophysics Data System (ADS)

    Mei, Hong-Xin; Zhang, Ting; Huang, Hua-Qi; Huang, Rong-Bin; Zheng, Lan-Sun

    2016-03-01

    Three mix-ligand Ag(I) coordination compounds, namely, {[Ag10(tpyz) 5(L1) 5(H2 O)2].(H2 O)4}n (1, tpyz = 2,3,4,5-tetramethylpyrazine, H2 L1 = phthalic acid), [Ag4(tpyz) 2(L2) 2(H2 O)].(H2 O)5}n (2, H2 L2 = isophthalic acid) {[Ag2(tpyz) 2(L3) (H2 O)4].(H2 O)8}n (3, H2 L3 = terephthalic acid), have been synthesized and characterized by elemental analysis, IR, PXRD and X-ray single-crystal diffraction. 1 exhibits a 2D layer which can be simplified as a (4,4) net. 2 is a 3D network which can be simplified as a (3,3)-connected 2-nodal net with a point symbol of {102.12}{102}. 3 consists of linear [Ag(tpyz) (H2 O)2]n chain. Of particular interest, discrete hexamer water clusters were observed in 1 and 2, while a 2D L10(6) water layer exists in 3. The results suggest that the benzene dicarboxylates play pivotal roles in the formation of the different host architectures as well as different water aggregations. Moreover, thermogravimetric analysis (TGA) and emissive behaviors of these compounds were investigated.

  4. Modified Heisenberg model for the zig-zag structure in multiferroic RMn2O5

    NASA Astrophysics Data System (ADS)

    Bahoosh, Safa Golrokh; Wesselinowa, Julia M.; Trimper, Steffen

    2015-08-01

    The class of RMn2O5 (R = Ho, Tb, Y, Eu) compounds offers multiferroic properties where the refined magnetic zig-zag order breaks the inversion symmetry. Varying the temperature, the system undergoes a magnetic and a subsequent ferroelectric phase transition where the ferroelectricity is magnetically induced. We propose a modified anisotropic Heisenberg model that can be used as a tractable analytical model studying the properties of those antiferromagnetic zig-zag spin chains. Based on a finite temperature Green's function method, it is shown that the polarization is induced solely by different exchange couplings of the two different Mn4+ and Mn3+ magnetic ions. We calculate the excitation energy of the spin system for finite temperatures, which for its part determines the temperature dependent magnetization and polarization. The ferroelectric phase transition is manifested as a kink in the excitation energy. The variation of the polarization by an external magnetic field depends strongly on the direction of that field. Whereas, the polarization in b-direction increases with an external magnetic field as well in b-direction it can be switched for strong fields in a-direction. The results based on that modified Heisenberg model are in qualitative agreement with experimental data.

  5. A short line segment squirms along a zigzag line.

    PubMed

    Ito, Hiroyuki; Yang, Xie

    2013-01-01

    When a short straight line segment moves across a zigzag line and is viewed in one's peripheral vision, it appears to exhibit nonrigid squirming motion (the squirm effect). This phenomenon demonstrates that the form, orientation, and motion direction of a short line are influenced by those of a longer one when they are viewed in one's peripheral vision. PMID:23755359

  6. Origins and implications of zigzag rift patterns on lava lakes

    NASA Astrophysics Data System (ADS)

    Karlstrom, Leif; Manga, Michael

    2006-06-01

    The distinctive rift patterns observed on newly formed lava lakes are very likely a product of interaction between heat transfer (cooling of lava) and deformation of the solid crust in response to applied stresses. One common pattern consists of symmetric "zigzag" rifts separating spreading plates. Zigzags can be characterized by two measurable parameters: an amplitude A, and an angle θ between segments that make up the zigzags. Similar patterns are observed in analog wax experiments in which molten wax acts as cooling and solidifying lava. We perform a series of these wax experiments to find the relationship between θ, A, and the cooling rate. We develop a model to explain the observed relationships: θ is determined by a balance of spreading and solidification speeds; the amplitude A is limited by the thickness of the solid wax crust. Theoretical predictions agree well with experimental data; this enables us to scale the model to basaltic lava lakes. If zigzag rifts are observed on the surface of lava lakes, and if physical properties of the lava crust can be measured or inferred by other means, measurements of θ and A make it possible to calculate crust-spreading velocity and crust thickness.

  7. Refined Zigzag Theory for Homogeneous, Laminated Composite, and Sandwich Plates: A Homogeneous Limit Methodology for Zigzag Function Selection

    NASA Technical Reports Server (NTRS)

    Tessler, Alexander; DiSciuva, Marco; Gherlone, marco

    2010-01-01

    The Refined Zigzag Theory (RZT) for homogeneous, laminated composite, and sandwich plates is presented from a multi-scale formalism starting with the inplane displacement field expressed as a superposition of coarse and fine contributions. The coarse kinematic field is that of first-order shear-deformation theory, whereas the fine kinematic field has a piecewise-linear zigzag distribution through the thickness. The condition of limiting homogeneity of transverse-shear properties is proposed and yields four distinct sets of zigzag functions. By examining elastostatic solutions for highly heterogeneous sandwich plates, the best-performing zigzag functions are identified. The RZT predictive capabilities to model homogeneous and highly heterogeneous sandwich plates are critically assessed, demonstrating its superior efficiency, accuracy ; and a wide range of applicability. The present theory, which is derived from the virtual work principle, is well-suited for developing computationally efficient CO-continuous finite elements, and is thus appropriate for the analysis and design of high-performance load-bearing aerospace structures.

  8. Directed assembly and characterization of 1D polymers based on [M(II)(BMA)]2+ node (M = Cu, Mn, Ni and Zn; BMA = N,N-bis (benzimidazol-2-yl-methyl)amine) with linear bridging dicyanamide and terephthalate ligands.

    PubMed

    Xu, Jing-Yuan; Xie, Cheng-Zhi; Xue, Fei; Hao, Lan-Fang; Ma, Zhong-Ying; Liao, Dai-Zheng; Yan, Shi-Ping

    2010-08-14

    The directed assembly of N,N-bis(benzimidazol-2-yl-methyl)amine (BMA) with Cu(II), Mn(II), Ni(II) and Zn(II) salts based on dicyanamide (mu(1,5)-dca) and terephthalate (mu-ta) linear bridging ligands, respectively, leads to four novel compounds: [Cu(BMA)(mu(1,5)-dca)(ClO(4))](n) (1), {[Mn(BMA)(mu(1,5)-dca)(CH(3)OH)] x ClO(4) x C(10)H(9)N(3)O x CH(3)OH}(n) (2), {[Ni(2)(BMA)(2)(mu-ta)(mu(1,5)-dca)] x ClO(4) x CH(3)OH x H(2)O}(n) (3), and {[Zn(2)(BMA)(2)(mu-ta)(mu(1,5)-dca)] x ClO(4) x CH(3)OH}(n) (4), which were characterized by single-crystal X-ray diffraction, elemental analysis, IR, fluorescence spectroscopy, and magnetic measurement. X-Ray analysis revealed that 1 and 2 are two infinite 1D coordination polymers, in which dca units serving as an end-to-end out-of-plane bridge bring about linear chains for 1 and zigzag chains for 2. Complexes 3 and 4 are similar, in which the metal atoms are bridged alternately by terephthalate and mu(1,5)-dicyanamide ligands into 1D zigzag chains. In all these complexes, each BMA ligand adopts a tridentate chelating mode to coordinate with a transition metal forming a [M(BMA)](2+) node. Different rigidity bridging ligands together with the stereochemistry and supramolecular effects of benzimidazol planes may result in the dramatic structural changes from 1D to multidimensional networks for all 1-4. Fluorescent measurements established that, in solution, complex 3 displays weak blue luminescence which originates from the BMA but is significantly red-shifted and has a much lower emission intensity, compared to the free BMA ligand. Complex 4 shows stronger luminescence than 3 and still reduces luminescence efficiency compared to the free BMA ligand. The variable-temperature magnetic susceptibility measurements (2-300 K) of 1 and 3 show the dominant weak ferromagnetic interactions between the copper(II) centers with J = 3.02 cm(-1), zJ' = -2.70 cm(-1) for 1, and the nickel(II) centers with J = 1.94 cm(-1), J'; = -0.38 cm(-1) for 3

  9. Giant edge state splitting at atomically precise graphene zigzag edges

    NASA Astrophysics Data System (ADS)

    Wang, Shiyong; Talirz, Leopold; Pignedoli, Carlo A.; Feng, Xinliang; Müllen, Klaus; Fasel, Roman; Ruffieux, Pascal

    2016-05-01

    Zigzag edges of graphene nanostructures host localized electronic states that are predicted to be spin-polarized. However, these edge states are highly susceptible to edge roughness and interaction with a supporting substrate, complicating the study of their intrinsic electronic and magnetic structure. Here, we focus on atomically precise graphene nanoribbons whose two short zigzag edges host exactly one localized electron each. Using the tip of a scanning tunnelling microscope, the graphene nanoribbons are transferred from the metallic growth substrate onto insulating islands of NaCl in order to decouple their electronic structure from the metal. The absence of charge transfer and hybridization with the substrate is confirmed by scanning tunnelling spectroscopy, which reveals a pair of occupied/unoccupied edge states. Their large energy splitting of 1.9 eV is in accordance with ab initio many-body perturbation theory calculations and reflects the dominant role of electron-electron interactions in these localized states.

  10. Giant edge state splitting at atomically precise graphene zigzag edges

    PubMed Central

    Wang, Shiyong; Talirz, Leopold; Pignedoli, Carlo A.; Feng, Xinliang; Müllen, Klaus; Fasel, Roman; Ruffieux, Pascal

    2016-01-01

    Zigzag edges of graphene nanostructures host localized electronic states that are predicted to be spin-polarized. However, these edge states are highly susceptible to edge roughness and interaction with a supporting substrate, complicating the study of their intrinsic electronic and magnetic structure. Here, we focus on atomically precise graphene nanoribbons whose two short zigzag edges host exactly one localized electron each. Using the tip of a scanning tunnelling microscope, the graphene nanoribbons are transferred from the metallic growth substrate onto insulating islands of NaCl in order to decouple their electronic structure from the metal. The absence of charge transfer and hybridization with the substrate is confirmed by scanning tunnelling spectroscopy, which reveals a pair of occupied/unoccupied edge states. Their large energy splitting of 1.9 eV is in accordance with ab initio many-body perturbation theory calculations and reflects the dominant role of electron–electron interactions in these localized states. PMID:27181701

  11. Sensory Organ Like Response of Zigzag Edge Graphene Nanoribbons

    NASA Astrophysics Data System (ADS)

    Shenoy, Vijay; Bhowmick, Somnath

    2011-03-01

    Using a continuum Dirac theory, we study the density and spin response of zigzag edge terminated graphene ribbons subjected to edge potentials and Zeeman fields. Our analytical calculations of the density and spin responses of the closed system (fixed particle number) to the static edge fields, show a highly nonlinear Weber-Fechner type behavior where the response depends logarithmically on the edge potential. The dependence of the response on the size of the system (e.g.~width of a nanoribbon) is also uncovered. Zigzag edge graphene nanoribbons, therefore, provide a realization of response of organs such as the eye and ear that obey Weber-Fechner law. We validate our analytical results with tight binding calculations. These results are crucial in understanding important effects of electron-electron interactions in graphene nanoribbons such as edge magnetism etc., and also suggest possibilities for device applications of graphene nanoribbons. Work supported by DST, India through MONAMI and Ramanujan grants.

  12. Noisy zigzag transition, fluctuations, and thermal bifurcation threshold.

    PubMed

    Delfau, Jean-Baptiste; Coste, Christophe; Saint Jean, Michel

    2013-06-01

    We study the zigzag transition in a system of particles with screened electrostatic interaction, submitted to a thermal noise. At finite temperature, this configurational phase transition is an example of noisy supercritical pitchfork bifurcation. The measurements of transverse fluctuations allow a complete description of the bifurcation region, which takes place between the deterministic threshold and a thermal threshold beyond which thermal fluctuations do not allow the system to flip between the symmetric zigzag configurations. We show that a divergence of the saturation time for the transverse fluctuations allows a precise and unambiguous definition of this thermal threshold. Its evolution with the temperature is shown to be in good agreement with theoretical predictions from noisy bifurcation theory. PMID:23848655

  13. Noisy zigzag transition, fluctuations, and thermal bifurcation threshold

    NASA Astrophysics Data System (ADS)

    Delfau, Jean-Baptiste; Coste, Christophe; Saint Jean, Michel

    2013-06-01

    We study the zigzag transition in a system of particles with screened electrostatic interaction, submitted to a thermal noise. At finite temperature, this configurational phase transition is an example of noisy supercritical pitchfork bifurcation. The measurements of transverse fluctuations allow a complete description of the bifurcation region, which takes place between the deterministic threshold and a thermal threshold beyond which thermal fluctuations do not allow the system to flip between the symmetric zigzag configurations. We show that a divergence of the saturation time for the transverse fluctuations allows a precise and unambiguous definition of this thermal threshold. Its evolution with the temperature is shown to be in good agreement with theoretical predictions from noisy bifurcation theory.

  14. Giant edge state splitting at atomically precise graphene zigzag edges.

    PubMed

    Wang, Shiyong; Talirz, Leopold; Pignedoli, Carlo A; Feng, Xinliang; Müllen, Klaus; Fasel, Roman; Ruffieux, Pascal

    2016-01-01

    Zigzag edges of graphene nanostructures host localized electronic states that are predicted to be spin-polarized. However, these edge states are highly susceptible to edge roughness and interaction with a supporting substrate, complicating the study of their intrinsic electronic and magnetic structure. Here, we focus on atomically precise graphene nanoribbons whose two short zigzag edges host exactly one localized electron each. Using the tip of a scanning tunnelling microscope, the graphene nanoribbons are transferred from the metallic growth substrate onto insulating islands of NaCl in order to decouple their electronic structure from the metal. The absence of charge transfer and hybridization with the substrate is confirmed by scanning tunnelling spectroscopy, which reveals a pair of occupied/unoccupied edge states. Their large energy splitting of 1.9 eV is in accordance with ab initio many-body perturbation theory calculations and reflects the dominant role of electron-electron interactions in these localized states. PMID:27181701

  15. Characteristics of Li diffusion on silicene and zigzag nanoribbon

    NASA Astrophysics Data System (ADS)

    Yan-Hua, Guo; Jue-Xian, Cao; Bo, Xu

    2016-01-01

    We perform a density functional study on the adsorption and diffusion of Li atoms on silicene sheet and zigzag nanoribbons. Our results show that the diffusion energy barrier of Li adatoms on silicene sheet is 0.25 eV, which is much lower than on graphene and Si bulk. The diffusion barriers along the axis of zigzag silicene nanoribbon range from 0.1 to 0.25 eV due to an edge effect, while the diffusion energy barrier is about 0.5 eV for a Li adatom to enter into a silicene nanoribbon. Our calculations indicate that using silicene nanoribbons as anodes is favorable for a Li-ion battery. Project supported by the National Natural Science Foundation of China (Grant Nos. 11074212 and 11204123) and the Natural Science Foundation of Jiangsu province, China (Grant No. BK20130945).

  16. Selective Formation of Zigzag Edges in Graphene Cracks.

    PubMed

    Fujihara, Miho; Inoue, Ryosuke; Kurita, Rei; Taniuchi, Toshiyuki; Motoyui, Yoshihito; Shin, Shik; Komori, Fumio; Maniwa, Yutaka; Shinohara, Hisanori; Miyata, Yasumitsu

    2015-09-22

    We report the thermally induced unconventional cracking of graphene to generate zigzag edges. This crystallography-selective cracking was observed for as-grown graphene films immediately following the cooling process subsequent to chemical vapor deposition (CVD) on Cu foil. Results from Raman spectroscopy show that the crack-derived edges have smoother zigzag edges than the chemically formed grain edges of CVD graphene. Using these cracks as nanogaps, we were also able to demonstrate the carrier tuning of graphene through the electric field effect. Statistical analysis of visual observations indicated that the crack formation results from uniaxial tension imparted by the Cu substrates together with the stress concentration at notches in the polycrystalline graphene films. On the basis of simulation results using a simplified thermal shrinkage model, we propose that the cooling-induced tension is derived from the transient lattice expansion of narrow Cu grains imparted by the thermal shrinkage of adjacent Cu grains. PMID:26288323

  17. Refined Zigzag Theory for Laminated Composite and Sandwich Plates

    NASA Technical Reports Server (NTRS)

    Tessler, Alexander; DiSciuva, Marco; Gherlone, Marco

    2009-01-01

    A refined zigzag theory is presented for laminated-composite and sandwich plates that includes the kinematics of first-order shear deformation theory as its baseline. The theory is variationally consistent and is derived from the virtual work principle. Novel piecewise-linear zigzag functions that provide a more realistic representation of the deformation states of transverse-shear-flexible plates than other similar theories are used. The formulation does not enforce full continuity of the transverse shear stresses across the plate s thickness, yet is robust. Transverse-shear correction factors are not required to yield accurate results. The theory is devoid of the shortcomings inherent in the previous zigzag theories including shear-force inconsistency and difficulties in simulating clamped boundary conditions, which have greatly limited the accuracy of these theories. This new theory requires only C(sup 0)-continuous kinematic approximations and is perfectly suited for developing computationally efficient finite elements. The theory should be useful for obtaining relatively efficient, accurate estimates of structural response needed to design high-performance load-bearing aerospace structures.

  18. Severe Hypertriglyceridemia in Glut1D on Ketogenic Diet.

    PubMed

    Klepper, Joerg; Leiendecker, Baerbel; Heussinger, Nicole; Lausch, Ekkehart; Bosch, Friedrich

    2016-04-01

    High-fat ketogenic diets are the only treatment available for Glut1 deficiency (Glut1D). Here, we describe an 8-year-old girl with classical Glut1D responsive to a 3:1 ketogenic diet and ethosuximide. After 3 years on the diet a gradual increase of blood lipids was followed by rapid, severe asymptomatic hypertriglyceridemia (1,910 mg/dL). Serum lipid apheresis was required to determine liver, renal, and pancreatic function. A combination of medium chain triglyceride-oil and a reduction of the ketogenic diet to 1:1 ratio normalized triglyceride levels within days but triggered severe myoclonic seizures requiring comedication with sultiam. Severe hypertriglyceridemia in children with Glut1D on ketogenic diets may be underdiagnosed and harmful. In contrast to congenital hypertriglyceridemias, children with Glut1D may be treated effectively by dietary adjustments alone. PMID:26902182

  19. Parity conservation in electron-phonon scattering in zigzag graphene nanoribbon

    SciTech Connect

    Chu, Yanbiao; Gautreau, Pierre; Basaran, Cemal

    2014-09-15

    In contrast with carbon nanotubes, the absence of translational symmetry (or periodical boundary condition) in the restricted direction of zigzag graphene nanoribbon removes the selection rule of subband number conservation. However, zigzag graphene nanoribbons with even dimers do have the inversion symmetry. We, therefore, propose a selection rule of parity conservation for electron-phonon interactions. The electron-phonon scattering matrix in zigzag graphene nanoribbons is developed using the tight-binging model within the deformation potential approximation.

  20. Elimination of higher-order diffraction using zigzag transmission grating in soft x-ray region

    SciTech Connect

    Zang, H. P.; Wang, C. K.; Gao, Y. L.; Zhou, W. M.; Kuang, L. Y.; Wei, L.; Fan, W.; Zhang, W. H.; Zhao, Z. Q.; Cao, L. F.; Gu, Y. Q.; Zhang, B. H.; Jiang, G.; Zhu, X. L.; Xie, C. Q.; Zhao, Y. D.; Cui, M. Q.

    2012-03-12

    We present a realization of the sinusoidal transmission function using a series of zigzag-profiled strips where the transmission takes on the binary values 0 and 1 in a two-dimensional distribution. A zigzag transmission grating of 1000 line/mm has been fabricated and demonstrated on the soft x-ray beam of synchrotron radiation. The axial single-order diffraction indicates that the zigzag transmission grating is adequate for spectroscopic application.

  1. Elimination of higher-order diffraction using zigzag transmission grating in soft x-ray region

    NASA Astrophysics Data System (ADS)

    Zang, H. P.; Wang, C. K.; Gao, Y. L.; Zhou, W. M.; Kuang, L. Y.; Wei, L.; Fan, W.; Zhang, W. H.; Zhao, Z. Q.; Cao, L. F.; Gu, Y. Q.; Zhang, B. H.; Jiang, G.; Zhu, X. L.; Xie, C. Q.; Zhao, Y. D.; Cui, M. Q.

    2012-03-01

    We present a realization of the sinusoidal transmission function using a series of zigzag-profiled strips where the transmission takes on the binary values 0 and 1 in a two-dimensional distribution. A zigzag transmission grating of 1000 line/mm has been fabricated and demonstrated on the soft x-ray beam of synchrotron radiation. The axial single-order diffraction indicates that the zigzag transmission grating is adequate for spectroscopic application.

  2. Confined Synthesis of Organometallic Chains and Macrocycles by Cu-O Surface Templating.

    PubMed

    Fan, Qitang; Dai, Jingya; Wang, Tao; Kuttner, Julian; Hilt, Gerhard; Gottfried, J Michael; Zhu, Junfa

    2016-03-22

    The bottom-up construction of low-dimensional macromolecular nanostructures directly on a surface is a promising approach for future application in molecular electronics and integrated circuit production. However, challenges still remain in controlling the formation of these nanostructures with predetermined patterns (such as linear or cyclic) or dimensions (such as the length of one-dimensional (1D) chains). Here, we demonstrate that a high degree of structural control can be achieved by employing a Cu(110)-(2×1)O nanotemplate for the confined synthesis of organometallic chains and macrocycles. This template contains ordered arrays of alternating stripes of Cu-O chains and bare Cu, the widths of which are controllable. Using scanning tunneling microscopy and low-energy electron diffraction, we show that well-defined, ordered 1D zigzag organometallic oligomeric chains with uniform lengths can be fabricated on the Cu stripes (width >5.6 nm) of the Cu(110)-(2×1)O surface. In addition, the lengths of the meta-terphenyl (MTP)-based chains can be adjusted by controlling the widths of the Cu stripes within a certain range. When reducing the widths of Cu stripes to a range of 2.6 to 5.6 nm, organometallic macrocycles including tetramer (MTP-Cu)4, hexamer (MTP-Cu)6, and octamer (MTP-Cu)8 species are formed due to the spatial confinement effect and attraction to the Cu-O chains. An overview of all formed organometallic macrocycles on the Cu stripes with different widths reveals that the origin of the formation of these macrocycles is the cis-configured organometallic dimer (MTP)2Cu3, which was observed on the extremely narrow Cu stripe with a width of 1.5 nm. PMID:26928582

  3. Transport properties in periodically modulated zigzag silicene nanoribbon

    NASA Astrophysics Data System (ADS)

    Wang, Xiao-Shuang; Shen, Man; An, Xing-Tao; Liu, Jian-Jun

    2016-04-01

    We study theoretically the electronic transport properties of zigzag silicene nanoribbon superlattices subject to a periodic electric field perpendicular to the surface of silicene. Our results show that the conductivity of the system depends on the superlattice structural parameters and show effects analogous to those found with two-dimensional semiconductor superlattices. For a superlattice with Nb barriers, a series of resonant peaks, each of which is split into (Nb - 1) subpeaks, and transmission blockade regions appear in the conductance spectrum, which indicates the formation of minibands and minigaps. These silicene-based quantum structures can provide concepts for the design nanodevices.

  4. Interacting spins and holes in zigzag edge nanographene

    SciTech Connect

    Dutta, Sudipta; Wakabayashi, Katsunori

    2013-12-04

    We have investigated charge and spin gap properties of zigzag edge graphene nanoribbons (ZGNRs) modeled within Hubbard Hamiltonian with onsite electron-electron interaction using semi-empirical many-body configuration interaction (CI) method. The charge gap behavior resembles the mean-field results, showing minima near Dirac point. We have observed unprecedented gap-less spin excitations over the flat band region. Moreover, doping the ZGNRs with holes reduces both the charge and spin gaps, inducing metallic and magnetic behavior, which can be exploited to fabricate spintronic devices.

  5. Optimizing the thermoelectric performance of zigzag and chiral carbon nanotubes

    PubMed Central

    2012-01-01

    Using nonequilibrium molecular dynamics simulations and nonequilibrium Green's function method, we investigate the thermoelectric properties of a series of zigzag and chiral carbon nanotubes which exhibit interesting diameter and chirality dependence. Our calculated results indicate that these carbon nanotubes could have higher ZT values at appropriate carrier concentration and operating temperature. Moreover, their thermoelectric performance can be significantly enhanced via isotope substitution, isoelectronic impurities, and hydrogen adsorption. It is thus reasonable to expect that carbon nanotubes may be promising candidates for high-performance thermoelectric materials. PMID:22325623

  6. Nitrogen Doping Position-Dependent Rectification of Spin-Polarized Current and Realization of Multifunction in Zigzag Graphene Nanoribbons with Asymmetric Edge Hydrogenation

    NASA Astrophysics Data System (ADS)

    Wang, Lihua; Zhang, Zizhen; Zhao, Jianguo; Ding, Bingjun; Guo, Yong

    2016-02-01

    The magnetic and spin transport properties of asymmetric edge-hydrogenated zigzag graphene nanoribbons (ZGNRs) selectively doped with nitrogen atoms were investigated using spin-polarized density functional theory and non-equilibrium Green's function. Results show that the rectifying performance of spin-polarized current with a ratio higher than 105 can be modulated by changing the positions of the nitrogen dopant. Complete spin filtering (100%) and excellent negative differential resistance behaviors were observed in the ZGNR junctions. These doping position-dependent spin transport characteristics were further tested by shifting from the odd-numbered zigzag-shaped C chains ( N Z) to the even-numbered N Z in ZGNRs. This study suggests that adopting a suitable nitrogen doping position could be an effective approach to significantly enhance the rectifying behavior of asymmetric edge-hydrogenated ZGNRs, which are promising materials for multifunctional spintronic devices.

  7. Spin filtering in a magnetized zigzag phosphorene nanoribbon

    NASA Astrophysics Data System (ADS)

    Keshtan, M. Ali M.; Esmaeilzadeh, Mahdi

    2015-12-01

    Using the Keldysh non-equilibrium Green’s function method and applying the Landauer-Büttiker formula, the spin-dependent electron transport properties of a zigzag phosphorene nanoribbon at zero temperature are studied. The depositing of two ferromagnetic strips on the edges of the nanoribbon induces exchange fields with parallel and anti-parallel configurations. An external perpendicular electric field is also applied to manipulate the spin-dependent electron conductance properties. Due to the order of the zigzag phosphorene nanoribbon edge bands near zero Fermi energy, parallel and anti-parallel configurations result in different properties. For anti-parallel configuration, spin filtering only occurs in the presence of a perpendicular electric field, while in the parallel case spin filtering takes place both in the absence and in the presence of an electric field. Although spin filtering properties are invariant against the inversion of the direction of the electric field in a parallel configuration, this inversion changes the spin filtering type for anti-parallel configurations.

  8. FAST TRACK COMMUNICATION: Preferential functionalization on zigzag graphene nanoribbons: first-principles calculations

    NASA Astrophysics Data System (ADS)

    Lee, Hoonkyung

    2010-09-01

    We investigate the functionalization of functional groups to graphene nanoribbons with zigzag and armchair edges using first-principles calculations. We find that the formation energy for the configuration of the functional groups functionalized to the zigzag edge is ~ 0.2 eV per functional group lower than that to the armchair edge. The formation energy difference arises from a structural deformation on the armchair edge by the functionalization whereas there is no structural deformation on the zigzag edge. Selective functionalization on the zigzag edge takes place at a condition of the temperature and the pressure of ~ 25 °C and 10 - 5 atm. Our findings show that selective functionalization can offer the opportunity for an approach to the separation of zigzag graphene nanoribbons with their solubility change.

  9. Modified Heisenberg model for the zig-zag structure in multiferroic RMn{sub 2}O{sub 5}

    SciTech Connect

    Bahoosh, Safa Golrokh; Wesselinowa, Julia M.; Trimper, Steffen

    2015-08-28

    The class of RMn{sub 2}O{sub 5} (R = Ho, Tb, Y, Eu) compounds offers multiferroic properties where the refined magnetic zig-zag order breaks the inversion symmetry. Varying the temperature, the system undergoes a magnetic and a subsequent ferroelectric phase transition where the ferroelectricity is magnetically induced. We propose a modified anisotropic Heisenberg model that can be used as a tractable analytical model studying the properties of those antiferromagnetic zig-zag spin chains. Based on a finite temperature Green's function method, it is shown that the polarization is induced solely by different exchange couplings of the two different Mn{sup 4+} and Mn{sup 3+} magnetic ions. We calculate the excitation energy of the spin system for finite temperatures, which for its part determines the temperature dependent magnetization and polarization. The ferroelectric phase transition is manifested as a kink in the excitation energy. The variation of the polarization by an external magnetic field depends strongly on the direction of that field. Whereas, the polarization in b-direction increases with an external magnetic field as well in b-direction it can be switched for strong fields in a-direction. The results based on that modified Heisenberg model are in qualitative agreement with experimental data.

  10. Spin stiffness of graphene and zigzag graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Rhim, Jun-Won; Moon, Kyungsun

    2009-10-01

    We theoretically study the spin stiffness of graphene and graphene nanoribbon based on the Hubbard-type Hamiltonian. Using the Hartree-Fock method with the inclusion of the adiabatic spin twist, we have obtained the effective energy functional and investigated the magnetic excitations of the two-dimensional graphene and zigzag graphene nanoribbon (ZGNR). We have analyzed the spin stiffness of the system with varying temperature and the strength of on-site Coulomb repulsion. For ZGNR, we have also studied the effect of the lateral electric field on the spin stiffness. As the field increases, the spin stiffness decreases and reaches less than the half of the zero-field value. However, we remarkably notice that there exists a critical value of the electric field above which the stiffness starts to increase showing a cusp-like behavior. This critical point is found to coincide exactly with the metal-insulator transition point of ZGNR.

  11. Spin stiffness of graphene and zigzag graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Rhim, Jun-Won; Moon, Kyungsun

    2010-03-01

    We theoretically study the spin stiffness of graphene and graphene nanoribbon based on the Hubbard-type Hamiltonian. Using the Hartree-Fock method with the inclusion of the adiabatic spin twist, we have obtained the effective energy functional and investigated the magnetic excitations of the two-dimensional graphene and zigzag graphene nanoribbon (ZGNR). We have analyzed the spin stiffness of the system with varying temperature and the strength of on-site Coulomb repulsion. For ZGNR, we have also studied the effect of the lateral electric field on the spin stiffness. As the field increases, the spin stiffness decreases and reaches less than the half of the zero-field value. However, we remarkably notice that there exists a critical value of the electric field above which the stiffness starts to increase showing a cusp-like behavior. This critical point is found to coincide exactly with the metal-insulator transition point of ZGNR.

  12. Chlorine sensing properties of zigzag boron nitride nanoribbons

    NASA Astrophysics Data System (ADS)

    Srivastava, Pankaj; Jaiswal, Neeraj K.; Tripathi, Gagan Kant

    2014-05-01

    The density functional theory based first-principles calculations have been employed to explore the chlorine sensing properties of zigzag boron nitride nanoribbons (ZBNNR). The sensing was investigated by calculating electronic structures and current-voltage (I-V) behavior. Three different possibilities were considered for the chlorine adsorption on ZBNNR and the findings were compared with bare ribbons. It is revealed that presence of chlorine has a profound effect on the electronic and transport properties of ZBNNR. Bare ZBNNR are half-metallic in nature whereas chlorine adsorption turns them semiconducting irrespective of adsorption site. Further, the negative differential resistance has been observed in bare ribbons which disappear upon the chlorine adsorption. Enhanced sensing capability is predicted when chlorine is attached at the N edge or at both the edges of the ZBNNR.

  13. Novel Design for Centrifugal Countercurrent Chromatography: I. Zigzag Toroidal Column.

    PubMed

    Yang, Yi; Aisa, Haji Akber; Ito, Yoichiro

    2009-01-01

    The toroidal coil using an equilateral triangular core has improved both retention of the stationary phase and peak resolution of the conventional toroidal coil in centrifugal countercurrent chromatography. To further improve the retention of stationary phase and peak resolution, a novel zigzag toroidal coil was designed and the performance of the system was evaluated at various flow rates. The results indicated that both retention of stationary phase and peak resolution were improved as the flow rate was decreased. Modification of the tubing by pressing at given intervals with a pair of pliers improved the peak resolution without increasing the column pressure. All these separations were performed under low column pressure indicating the separation can be further improved by increasing the column length and/or revolution speed without damaging the separation column. PMID:20046954

  14. Dye laser studies using zig-zag optical cavity

    SciTech Connect

    Klimek, D.E.; Mandl, A.E.; Willman, B. )

    1994-06-01

    The authors report a substantial advance in dye laser performance using a zig-zag optical cavity. This configuration drastically reduces the effects of intrapulse medium disturbances due to acoustics and thermal lensing on pulse duration, beam quality, and extraction efficiency. Laser outputs of up to 2 J were observed from Coumarin-498 dye pumped by a KrF excimer laser. The dye laser output faithfully replicates the flat-top KrF laser pump pulse over the entire 1.7-[mu]s pulse duration. An intrinsic laser photon conversion efficiency (Photons[sub in]/Photons[sub absorbed]) of 44% was measured. When unstable resonator optics were used, beam qualities of about 2 XDL were measured.

  15. Regioselective multistep reconstructions of half-saturated zigzag carbon nanotubes.

    PubMed

    Wang, Wei-Wei; Dang, Jing-Shuang; Zhao, Xiang; Nagase, Shigeru

    2016-06-01

    The open edge reconstruction of half-saturated (6,0) zigzag carbon nanotube (CNT) was introduced by density functional calculations. The multistep rearrangement was demonstrated as a regioselective process to generate a defective edge with alternating pentagons and heptagons. Not only the thermal stability was found to be enhanced significantly after reconstruction but also the total spin of CNT was proved to be reduced gradually from high-spin septet to close-shell singlet, revealing the critical role of deformed edge on the geometrical and magnetic properties of open-ended CNTs. Kinetically, the initial transformation was confirmed as the rate-determining step with relatively the largest reaction barrier and the following steps can take place spontaneously. © 2016 Wiley Periodicals, Inc. PMID:26940857

  16. Towards intrinsic magnetism of graphene sheets with irregular zigzag edges.

    PubMed

    Chen, Lianlian; Guo, Liwei; Li, Zhilin; Zhang, Han; Lin, Jingjing; Huang, Jiao; Jin, Shifeng; Chen, Xiaolong

    2013-01-01

    The magnetism of graphene has remained divergent and controversial due to absence of reliable experimental results. Here we show the intrinsic magnetism of graphene edge states revealed based on unidirectional aligned graphene sheets derived from completely carbonized SiC crystals. It is found that ferromagnetism, antiferromagnetism and diamagnetism along with a probable superconductivity exist in the graphene with irregular zigzag edges. A phase diagram is constructed to show the evolution of the magnetism. The ferromagnetic ordering curie-temperature of the fundamental magnetic order unit (FMOU) is 820 ± 80 K. The antiferromagnetic ordering Neel temperature of the FMOUs belonging to different sublattices is about 54 ± 2 K. The diamagnetism is similar to that of graphite and can be well described by the Kotosonov's equation. Our experimental results provide new evidences to clarify the controversial experimental phenomena observed in graphene and contribute to a deeper insight into the nature of magnetism in graphene based system. PMID:24008993

  17. Polaron and bipolaron of uniaxially strained one dimensional zigzag ladder

    NASA Astrophysics Data System (ADS)

    Yavidov, B. Ya.

    2016-09-01

    An influence of the uniaxial strains in one dimensional zigzag ladder (1DZL) on the properties of polarons and bipolarons is considered. It is shown that strain changes all the parameters of the system, in particular, spectrum, existing bands and the masses of charge carriers. Numerical results obtained by taking into an account the Poisson effect clearly indicate that the properties of the (bi)polaronic system can be tuned via strain. Mass of bipolaron can be manipulated by the strain too which in turn leads to the way of tuning Bose-Einstein condensation temperature TBEC of bipolarons. It is shown that TBEC of bipolarons in strained 1DZL reasonably correlates with the values of critical temperature of superconductivity of certain perovskites.

  18. Evaluation of zigzag furrow irrigation in Andean communities

    NASA Astrophysics Data System (ADS)

    Roldán Cañas, José; Chipana, Gladys; Chipana, René; Fátima Moreno Pérez, María

    2014-05-01

    It is estimated that the area under irrigation in Bolivia represents 9.7% of the cultivated area, ie 253,100 ha. Traditional surface irrigation is the main system used in Bolivia. Currently, 40,000 ha are irrigated in the La Paz Department. The largest irrigated surface and the areas that produce most food in the Department are located in the eastern and western mountain ranges. However, the region's abrupt terrain makes it impossible to use conventional surface irrigation methods. . As a result, farmers in the inter-Andean valleys have used other surface irrigation methods intensively for hundreds of years like zigzag furrow. In this study, we conducted field trials in the rural community of Cebollullo of the municipality of Palca of La Paz Department. Cebollullo is located at an altitude of 2,780 m above sea level. Its geographic coordinates are 16°41'90.1"S to 16°43'12"S latitude and 67°52'13"W to 67°59'15"W longitude. The irrigated area is characterized by its steep slopes and zigzag corrugated furrow irrigation method is used. The main objective of this study is to evaluate the performance of zigzag furrow irrigation in this community. The study plot has an area of 728 m2 and the average slope is 16.46%. For irrigation evaluation, the data of a middle furrow were taken to avoid boundary effects. Irrigation events recorded during the crop development were 21, with irrigation frequency of 2 to 3 days, of which 10 events were evaluated weekly. Due to the low flow rates used for irrigation, the inflow and outflow measurement of the furrows was made volumetrically. These flow measurements were made at five-minute intervals during irrigation. The zigzag corrugated irrigation method uses low flow discharges in order to decrease the rate of irrigation allowing infiltration of required volume by the crops and reducing soil erosion. Application efficiencies in the study plot ranged between 7.55% and 30.31%, with losses by surface runoff from 45.90% to 85.83% and

  19. Complexin cross-links prefusion SNAREs into a zigzag array

    SciTech Connect

    Kümmel, Daniel; Krishnakumar, Shyam S.; Radoff, Daniel T.; Li, Feng; Giraudo, Claudio G.; Pincet, Frederic; Rothman, James E.; Reinisch, Karin M.

    2011-09-20

    Complexin prevents SNAREs from releasing neurotransmitters until an action potential arrives at the synapse. To understand the mechanism for this inhibition, we determined the structure of complexin bound to a mimetic of a prefusion SNAREpin lacking the portion of the v-SNARE that zippers last to trigger fusion. The 'central helix' of complexin is anchored to one SNARE complex, while its 'accessory helix' extends away at {approx}45 deg. and bridges to a second complex, occupying the vacant v-SNARE binding site to inhibit fusion. We expected the accessory helix to compete with the v-SNARE for t-SNARE binding but found instead that the interaction occurs intermolecularly. Thus, complexin organizes the SNAREs into a zigzag topology that, when interposed between the vesicle and plasma membranes, is incompatible with fusion.

  20. Complexin Cross-links Prefusion SNAREs into a Zigzag Array

    SciTech Connect

    D Kummel; S Krishnakumar; D Radoff; F Li; C Giraudo; F Pincet; J Rothman; K Reinsch

    2011-12-31

    Complexin prevents SNAREs from releasing neurotransmitters until an action potential arrives at the synapse. To understand the mechanism for this inhibition, we determined the structure of complexin bound to a mimetic of a prefusion SNAREpin lacking the portion of the v-SNARE that zippers last to trigger fusion. The 'central helix' of complexin is anchored to one SNARE complex, while its 'accessory helix' extends away at {approx}45{sup o} and bridges to a second complex, occupying the vacant v-SNARE binding site to inhibit fusion. We expected the accessory helix to compete with the v-SNARE for t-SNARE binding but found instead that the interaction occurs intermolecularly. Thus, complexin organizes the SNAREs into a zigzag topology that, when interposed between the vesicle and plasma membranes, is incompatible with fusion.

  1. Zig-zag twins and helical phase transformations.

    PubMed

    Ganor, Yaniv; Dumitrică, Traian; Feng, Fan; James, Richard D

    2016-04-28

    We demonstrate the large bending deformation induced by an array of permanent magnets (applied field ∼0.02 T) designed to minimize poles in the bent state of the crystal. Planar cantilevers of NiMnGa (5M modulated martensite) ferromagnetic shape memory alloy deform into an arched shape according to theory, with a zig-zag microstructure that complies with the kinematic and magnetic compatibility between adjacent twin variants. A general theory of bent and twisted states is given, applicable to both twinning and austenite/martensite transformations. Some of these configurations achieve order-of-magnitude amplification of rotation and axial strain. We investigate also atomistic analogues of these bent and twisted configurations with perfect interfaces between phases. These mechanisms of large deformation, induced by small magnetic fields or temperature changes, have potential application to the development of new actuation technologies for micro-robotic systems. PMID:27002072

  2. Towards intrinsic magnetism of graphene sheets with irregular zigzag edges

    PubMed Central

    Chen, Lianlian; Guo, Liwei; Li, Zhilin; Zhang, Han; Lin, Jingjing; Huang, Jiao; Jin, Shifeng; Chen, Xiaolong

    2013-01-01

    The magnetism of graphene has remained divergent and controversial due to absence of reliable experimental results. Here we show the intrinsic magnetism of graphene edge states revealed based on unidirectional aligned graphene sheets derived from completely carbonized SiC crystals. It is found that ferromagnetism, antiferromagnetism and diamagnetism along with a probable superconductivity exist in the graphene with irregular zigzag edges. A phase diagram is constructed to show the evolution of the magnetism. The ferromagnetic ordering curie-temperature of the fundamental magnetic order unit (FMOU) is 820 ± 80 K. The antiferromagnetic ordering Neel temperature of the FMOUs belonging to different sublattices is about 54 ± 2 K. The diamagnetism is similar to that of graphite and can be well described by the Kotosonov's equation. Our experimental results provide new evidences to clarify the controversial experimental phenomena observed in graphene and contribute to a deeper insight into the nature of magnetism in graphene based system. PMID:24008993

  3. Zigzag stacks and m-regular linear stacks.

    PubMed

    Chen, William Y C; Guo, Qiang-Hui; Sun, Lisa H; Wang, Jian

    2014-12-01

    The contact map of a protein fold is a graph that represents the patterns of contacts in the fold. It is known that the contact map can be decomposed into stacks and queues. RNA secondary structures are special stacks in which the degree of each vertex is at most one and each arc has length of at least two. Waterman and Smith derived a formula for the number of RNA secondary structures of length n with exactly k arcs. Höner zu Siederdissen et al. developed a folding algorithm for extended RNA secondary structures in which each vertex has maximum degree two. An equation for the generating function of extended RNA secondary structures was obtained by Müller and Nebel by using a context-free grammar approach, which leads to an asymptotic formula. In this article, we consider m-regular linear stacks, where each arc has length at least m and the degree of each vertex is bounded by two. Extended RNA secondary structures are exactly 2-regular linear stacks. For any m ≥ 2, we obtain an equation for the generating function of the m-regular linear stacks. For given m, we deduce a recurrence relation and an asymptotic formula for the number of m-regular linear stacks on n vertices. To establish the equation, we use the reduction operation of Chen, Deng, and Du to transform an m-regular linear stack to an m-reduced zigzag (or alternating) stack. Then we find an equation for m-reduced zigzag stacks leading to an equation for m-regular linear stacks. PMID:25455155

  4. Phase-dependent visual control of the zigzag paths of navigating wood ants.

    PubMed

    Lent, David D; Graham, Paul; Collett, Thomas S

    2013-12-01

    Animals sometimes take sinuous paths to a goal. Insects, tracking an odor trail on the ground [1-3] or moving up an odor plume in the air [4, 5], generally follow zigzag paths. Some insects [6-8] take a zigzag approach to visual targets, perhaps to obtain parallax information. How does an animal keep its overall path in the direction of the goal without disrupting a zigzag pattern? We describe here the wood ant's strategy when guided by a familiar visual scene. If their travel direction is correct, ants face the goal briefly after each turning point along their zigzag path. If the direction is wrong, they turn rapidly at this point to place the scene correctly on their retina. Such saccade-like turns are rare elsewhere in the zigzag. Similarly, when the scene is made to jump to a new position on their retina, ants wait until an expected goal-facing phase of the zigzag before turning to correct the imposed error. Correctly timed, intermittent control allows an animal to adjust its path without compromising additional roles for the zigzag pattern in gathering visual information or in using odor cues for guidance. PMID:24268412

  5. Study on zigzag maneuver characteristics of V-U very large crude oil (VLCC) tankers

    NASA Astrophysics Data System (ADS)

    Jaswar, Maimun, A.; Wahid, M. A.; Priyanto, A.; Zamani, Pauzi, Saman

    2012-06-01

    The Department of Marine Technology at the Faculty of Mechanical Engineering, University Teknologi Malaysia has recently developed an Ship Maneuverability tool which intends to upgrade student's level understanding the application of fluid dynamic on interaction between hull, propeller, and rudder during maneuvering. This paper discusses zigzag maneuver for conventional Very Large Crude Oil (VLCC) ships with the same principal dimensions but different stern flame shape. 10/10 zigzag maneuver characteristics of U and V types of VLCC ships are investigated. Simulation results for U-type show a good agreement with the experimental data, but V-type not good agreement with experimental one. Further study on zigzag maneuver characteristics are required.

  6. Vought F4U-1D Corsair

    NASA Technical Reports Server (NTRS)

    1945-01-01

    Vought F4U-1D Corsair: In February and March of 1945 this Corsair was examined in the NACA's 30 x 60 Full Scale Tunnel at Langley Field. The F4U-1D has rockets mounted on its wings for this test. After installation and during testing, the wings would be lowered to their flight position.

  7. Magnetism in zigzag and armchair CuO nanotubes: Ab-initio study

    NASA Astrophysics Data System (ADS)

    Paudel, Samir; Dandeliya, Sushmita; Chaurasiya, Rajneesh; Srivastava, Anurag; Kaphle, Gopi Chandra

    2016-05-01

    The structural stability, electronic band structure and magnetic properties of zigzag (4≤n≤12) and armchair (3≤n≤8) copper oxide nanotubes have been analyzed by employing a standard Density Functional Theory based ab-intio approach using spin polarized generalized gradient approximation with revised Perdew Burke Ernzerhoff type parameterization. The binding energy of both zigzag as well as armchair CuO nanotubes increases with increasing diameter. Whereas, calculated total magnetic moment decreases with increasing diameter. Among the considered chiralities, (5, 5) armchair (diameter 9.08 Å) and (9, 0) zigzag (diameter 9.47 Å) CuO nanotubes show highest degree of spin polarization, however total magnetic moment is found to be highest for (4, 0) zigzag and (3, 3) armchair CuO nanotubes. The computed electronic properties of considered CuO Nanotube, confirms the metallic nature of these nanotubes.

  8. Optical properties of two-dimensional zigzag and armchair graphyne nanoribbon semiconductor.

    PubMed

    Asadpour, Mohamad; Jafari, Mahmoud; Asadpour, Milad; Jafari, Maryam

    2015-03-15

    Optical properties of zigzag and armchair graphyne nanoribbon (GNR) sheet were investigated. Effect of increasing the width of nanoribbon on optical properties and optical band gap in particular was also studied. Calculations were based on density functional theory (DFT) and the results showed that these structures were semiconductors with the optical band gap of about 1-3.5 eV; this value was higher than for the armchair than zigzag structures. With increasing the width of the ribbons, optical band gap decreased in both structures and maximum electron energy loss spectroscopy (EELS) and dielectric constant increased for the zigzag and armchair structures. Moreover, for the armchair structure, maximum optical reflectivity versus GNR width was a linear function, while it showed a teeth behavior for the zigzag structure. PMID:25576934

  9. Patterning monolayer graphene with zigzag edges on hexagonal boron nitride by anisotropic etching

    NASA Astrophysics Data System (ADS)

    Wang, Guole; Wu, Shuang; Zhang, Tingting; Chen, Peng; Lu, Xiaobo; Wang, Shuopei; Wang, Duoming; Watanabe, Kenji; Taniguchi, Takashi; Shi, Dongxia; Yang, Rong; Zhang, Guangyu

    2016-08-01

    Graphene nanostructures are potential building blocks for nanoelectronic and spintronic devices. However, the production of monolayer graphene nanostructures with well-defined zigzag edges remains a challenge. In this paper, we report the patterning of monolayer graphene nanostructures with zigzag edges on hexagonal boron nitride (h-BN) substrates by an anisotropic etching technique. We found that hydrogen plasma etching of monolayer graphene on h-BN is highly anisotropic due to the inert and ultra-flat nature of the h-BN surface, resulting in zigzag edge formation. The as-fabricated zigzag-edged monolayer graphene nanoribbons (Z-GNRs) with widths below 30 nm show high carrier mobility and width-dependent energy gaps at liquid helium temperature. These high quality Z-GNRs are thus ideal structures for exploring their valleytronic or spintronic properties.

  10. Coupling of Armchair and Zigzag Tubes to a Free Electron Metal

    NASA Technical Reports Server (NTRS)

    Anantram, M. P.; Biegel, Bryan (Technical Monitor)

    2001-01-01

    The effect of nanotube chirality is of prime importance in determining its electronic properties. We address the issue of how chirality affects the coupling of a nanotube to metal contacts. We model coupling of armchair and zigzag nanotubes to metal contacts, in both the side- and end-contacted geometries. In the side-contacted geometry, the coupling of armchair and metallic-zigzag nanotubes to a free electron metal are significantly different. Namely, it is possible to drive a larger current through a metallic-zigzag nanotube. The predicted difference holds good when both (a) the entire circumference and (b) only a finite sector of the nanotube makes contact to the metal electrode. It might be possible to observe the predicted difference between armchair and zigzag nanotubes using gold contacts.

  11. Optical properties of two-dimensional zigzag and armchair graphyne nanoribbon semiconductor

    NASA Astrophysics Data System (ADS)

    Asadpour, Mohamad; Jafari, Mahmoud; Asadpour, Milad; Jafari, Maryam

    2015-03-01

    Optical properties of zigzag and armchair graphyne nanoribbon (GNR) sheet were investigated. Effect of increasing the width of nanoribbon on optical properties and optical band gap in particular was also studied. Calculations were based on density functional theory (DFT) and the results showed that these structures were semiconductors with the optical band gap of about 1-3.5 eV; this value was higher than for the armchair than zigzag structures. With increasing the width of the ribbons, optical band gap decreased in both structures and maximum electron energy loss spectroscopy (EELS) and dielectric constant increased for the zigzag and armchair structures. Moreover, for the armchair structure, maximum optical reflectivity versus GNR width was a linear function, while it showed a teeth behavior for the zigzag structure.

  12. An algorithm for constructing various kinds of nanojunctions using zig-zag and armchair nanotubes.

    PubMed

    Taşci, Emre; Erkoç, Sakir

    2007-01-01

    A method for generating various forms of junctions involving armchair and zig-zag nanotubes, firstly introduced by Zsoldos et al., is developed to cover all types of armchair and zig-zag nanotubes in a systematical way. This method can also be used to produce nanogears and toothed canals. The method is explained and flowcharts are included to aid in programming into a code. PMID:17450939

  13. Method for fabricating zig-zag slabs for solid state lasers

    NASA Technical Reports Server (NTRS)

    Sridharan, Arun Kumar (Inventor); Saraf, Shailendhar (Inventor); Byer, Robert L. (Inventor)

    2006-01-01

    A method for batch manufacturing of slabs for zig-zag lasers including steps of bonding two non-active media to either side of an active medium to form a sandwich, dicing the sandwich to provide slices, rendering two surfaces of each slice into total-internal-reflection (TIR) surfaces, and then dicing the slices perpendicular to the TIR surfaces to provide a plurality of zig-zag slabs.

  14. Edge magnetization in Bernal-stacked trilayer zigzag graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Pérez, Juan Antonio Casao

    2016-06-01

    We have used a tight-binding Hamiltonian of an ABA-stacked trilayer zigzag graphene nanoribbon with β-alignment edges to study the edge magnetizations. Our model includes the effect of the intralayer next-nearest-neighbor hopping, the interlayer hopping responsible for the trigonal warping and the interaction between electrons, which is considered by a single band Hubbard model in the mean field approximation. Firstly, in the neutral system we analyzed the two magnetic states in which both edge magnetizations reach their maximum value; the first one is characterized by an intralayer ferromagnetic coupling between the magnetizations at opposite edges, whereas in the second state that coupling is antiferromagnetic. The band structure, the location of the edge-state bands and the local density of states resolved in spin are calculated in order to understand the origins of the edge magnetizations. We have also introduced an electron doping so that the number of electrons in the ribbon unit cell is higher than in neutral case. As a consequence, we have obtained magnetization steps and charge accumulation at the edges of the sample, which are caused by the edge-state flat bands.

  15. Optical distortions in end-pumped zigzag slab lasers.

    PubMed

    Tang, Bing; Zhou, Tangjian; Wang, Dan; Li, Mi

    2015-04-01

    Ray tracing is performed to investigate the optical distortions in the end-pumped, zigzag slab. Optical path differences caused by temperature, slab deformation, and stress birefringence are calculated under uniform pumping; the results show a steep edge in the width dimension and a thermal lens with an effective focal length as short as several meters in the thickness dimension. Dependence of depolarization on total internal reflection phase retardance as well as the slab's cut angle is studied by the Jones matrix technique; results show that although at the pumping power of 10 kW, the mean depolarization of the 2.5  mm×30  mm×150.2  mm Nd:YAG slab is generally below 3%, and it increases rapidly with pumping power. Besides, for the 0°- or 60°-cut slab, an optimal phase retardance range of 5° to 13° exists, in which the depolarization loss can be lower than 0.5%. Finally, experiments on temperature and depolarization measurements verify the numerical results. PMID:25967178

  16. Electronic structure and magnetic properties of zigzag blue phosphorene nanoribbons

    SciTech Connect

    Hu, Tao; Hong, Jisang

    2015-08-07

    We investigated the electronic structure and magnetism of zigzag blue phosphorene nanoribbons (ZBPNRs) using first principles density functional theory calculations by changing the widths of ZBPNRs from 1.5 to 5 nm. In addition, the effect of H and O passivation was explored as well. The ZBPNRs displayed intra-edge antiferromagnetic ground state with a semiconducting band gap of ∼0.35 eV; and this was insensitive to the edge structure relaxation effect. However, the edge magnetism of ZBPNRs disappeared with H-passivation. Moreover, the band gap of H-passivated ZBPNRs was greatly enhanced because the calculated band gap was ∼1.77 eV, and this was almost the same as that of two-dimensional blue phosphorene layer. For O-passivated ZBPNRs, we also found an intra-edge antiferromagnetic state. Besides, both unpassivated and O-passivated ZBPNRs preserved almost the same band gap. We predict that the electronic band structure and magnetic properties can be controlled by means of passivation. Moreover, the edge magnetism can be also modulated by the strain. Nonetheless, the intrinsic physical properties are size independent. This feature can be an advantage for device applications because it may not be necessary to precisely control the width of the nanoribbon.

  17. Ferroelectric surface induced electron doping in a zigzag graphene nanoribbon.

    PubMed

    Belletti, G D; Dalosto, S D; Tinte, S

    2016-11-01

    The interface between a zigzag graphene nanoribbon (zGNR) and the ferroelectric PbTiO3 (0 0 1) surface is studied through first-principles calculations. We investigate how the electric polarization normal to the surface tunes the zGNR electronic and magnetic properties. A ferroelectric single-domain configuration with polarization up and down is considered including explicitly a bottom metallic electrode. Our results show how not only the ferroelectric polarization direction determines the doping in zGNR-the downward polarization induces a p-type doping in a planar zGNR whereas the upward polarization keeps it intrinsic-but also the features of the clean ferroelectric surface, such as the atomic relaxation and the electronic distribution. Interestingly, the surface ferroelectric polarization, besides tuning the carrier type as it does in graphene, also closes the zGNR band gap which can be understood in terms of the weakening of the local magnetic moment of the edge carbon atoms as the polarization increases. The zGNR antiferromagnetic ground state is preserved without breaking the α-β degeneracy. PMID:27603305

  18. A computational NMR study on zigzag aluminum nitride nanotubes

    NASA Astrophysics Data System (ADS)

    Bodaghi, Ali; Mirzaei, Mahmoud; Seif, Ahmad; Giahi, Masoud

    2008-12-01

    A computational nuclear magnetic resonance (NMR) study is performed to investigate the electronic structure properties of the single-walled zigzag aluminum nitride nanotubes (AlNNTs). The chemical-shielding (CS) tensors are calculated at the sites of Al-27 and N-15 nuclei in three structural forms of AlNNT including H-saturated, Al-terminated, and N-terminated ones. The structural forms are firstly optimized and then the calculated CS tensors in the optimized structures are converted to chemical-shielding isotropic (CSI) and chemical-shielding anisotropic (CSA) parameters. The calculated parameters reveal that various Al-27 and N-15 nuclei are divided into some layers with equivalent electrostatic properties; furthermore, Al and N can act as Lewis base and acid, respectively. In the Al-terminated and N-terminated forms of AlNNT, in which one mouth of the nanotube is terminated by aluminum and nitrogen nuclei, respectively, just the CS tensors of the nearest nuclei to the mouth of the nanotube are significantly changed due to removal of saturating hydrogen atoms. Density functional theory (DFT) calculations are performed using GAUSSIAN 98 package of program.

  19. Dinuclear and 1D iron(III) Schiff base complexes bridged by 4-salicylideneamino-1,2,4-triazolate: X-ray structures and magnetic properties.

    PubMed

    Herchel, Radovan; Pavelek, Lubomír; Trávníček, Zdeněk

    2011-11-28

    Four new iron(III) complexes were obtained by the reaction of 4-salicylideneamino-1,2,4-triazole (Hsaltrz) and selected dinuclear μ-oxo-bridged iron(III) Schiff base complexes [{FeL(4)}(2)(μ-O)], where L(4) represents a terminal tetradentate dianionic Schiff-base ligand. X-ray structural analysis revealed a novel bridging mode of κN,κO of the saltrz ligand to form dinuclear complexes [{Fe(salen)(μ-saltrz)}(2)]·CH(3)OH (1) (H(2)salen = N,N'-ethylenebis(salicylimine)) and [{Fe(salpn)(μ-saltrz)}(2)] (2) (H(2)salpn = N,N'-1,2-propylenbis(salicylimine)), whereas one-dimensional (1D) zig-zag chains were formed in the case of [{Fe(salch)(μ-saltrz)}·0.5CH(3)OH](n) (3) (H(2)salch = N,N'-cyclohexanebis(salicylimine)) and [Fe(salophen)(μ-saltrz)](n) (4) (H(2)salophen = N,N'-o-phenylenebis(salicylimine)). It was also shown that the rigidity of the terminal ligand L(4) can be considered as the key factor for the molecular dimensionality of the products. The thorough magnetic analysis based on SQUID experiments, including the isotropic exchange and the zero-field splitting of both temperature and field dependent data, was performed for dimeric (1 and 2) and also for polymeric compounds (3 and 4) and revealed weak antiferromagnetic exchange mediated by the saltrz anions with much larger D-parameter (|D|≫|J|). PMID:21968851

  20. Potent neutralizing anti-CD1d antibody reduces lung cytokine release in primate asthma model

    PubMed Central

    Nambiar, Jonathan; Clarke, Adam W; Shim, Doris; Mabon, David; Tian, Chen; Windloch, Karolina; Buhmann, Chris; Corazon, Beau; Lindgren, Matilda; Pollard, Matthew; Domagala, Teresa; Poulton, Lynn; Doyle, Anthony G

    2015-01-01

    CD1d is a receptor on antigen-presenting cells involved in triggering cell populations, particularly natural killer T (NKT) cells, to release high levels of cytokines. NKT cells are implicated in asthma pathology and blockade of the CD1d/NKT cell pathway may have therapeutic potential. We developed a potent anti-human CD1d antibody (NIB.2) that possesses high affinity for human and cynomolgus macaque CD1d (KD ∼100 pM) and strong neutralizing activity in human primary cell-based assays (IC50 typically <100 pM). By epitope mapping experiments, we showed that NIB.2 binds to CD1d in close proximity to the interface of CD1d and the Type 1 NKT cell receptor β-chain. Together with data showing that NIB.2 inhibited stimulation via CD1d loaded with different glycolipids, this supports a mechanism whereby NIB.2 inhibits NKT cell activation by inhibiting Type 1 NKT cell receptor β-chain interactions with CD1d, independent of the lipid antigen in the CD1d antigen-binding cleft. The strong in vitro potency of NIB.2 was reflected in vivo in an Ascaris suum cynomolgus macaque asthma model. Compared with vehicle control, NIB.2 treatment significantly reduced bronchoalveolar lavage (BAL) levels of Ascaris-induced cytokines IL-5, IL-8 and IL-1 receptor antagonist, and significantly reduced baseline levels of GM-CSF, IL-6, IL-15, IL-12/23p40, MIP-1α, MIP-1β, and VEGF. At a cellular population level NIB.2 also reduced numbers of BAL lymphocytes and macrophages, and blood eosinophils and basophils. We demonstrate that anti-CD1d antibody blockade of the CD1d/NKT pathway modulates inflammatory parameters in vivo in a primate inflammation model, with therapeutic potential for diseases where the local cytokine milieu is critical. PMID:25751125

  1. Binding energies and electronic structures of adsorbed titanium chains on carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Yang, Chih-Kai; Zhao, Jijun; Lu, Jianping

    2002-03-01

    Our calculations based on first principles have shown that titanium is much favored energetically over gold and aluminum to form a continuous chain on a variety of single-wall carbon nanotubes (SWNT). Results from two zigzag nanotubes, (10,0) and (14,0), and two armchairs, (6,6) and (8,8), indicate that binding energy for a Ti-adsorbed SWNT is generally six to seven eV per unit cell larger than a Au or Al-adsorbed SWNT. Furthermore, the adsorbed Ti chain generates additional states in the band gaps of the two semi-conducting zigzag nanotubes, transforming them into metals.

  2. Species Specific Differences of CD1d Oligomer Loading In Vitro

    PubMed Central

    Paletta, Daniel; Fichtner, Alina Suzann; Starick, Lisa; Porcelli, Steven A.; Savage, Paul B.; Herrmann, Thomas

    2015-01-01

    CD1d molecules are MHC class I-like molecules that present glycolipids to iNKT cells. The highly conserved interaction between CD1d:α-Galactosylceramide (αGC) complexes and the iNKT TCR not only defines this population of αβ T cells but can also be used for its direct identification. Therefore, CD1d oligomers are a widely used tool for iNKT cell related investigations. To this end, the lipid chains of the antigen have to be inserted into the hydrophobic pockets of the CD1d binding cleft, often with help of surfactants. In this study, we investigated the influence of different surfactants (Triton X-100, Tween 20, Tyloxapol) on in vitro loading of CD1d molecules derived from four different species (human, mouse, rat and cotton rat) with αGC and derivatives carrying modifications of the acyl-chain (DB01-1, PBS44) and a 6-acetamido-6-deoxy-addition at the galactosyl head group (PBS57). We also compared rat CD1d dimers with tetramers and staining of an iNKT TCR transductant was used as readout for loading efficacy. The results underlined the importance of CD1d loading efficacy for proper analysis of iNKT TCR binding and demonstrated the necessity to adjust loading conditions for each oligomer/glycolipid combination. The efficient usage of surfactants as a tool for CD1d loading was revealed to be species-specific and depending on the origin of the CD1d producing cells. Additional variation of surfactant-dependent loading efficacy between tested glycolipids was influenced by the acyl-chain length and the modification of the galactosyl head group with PBS57 showing the least dependence on surfactants and the lowest degree of species-dependent differences. PMID:26599805

  3. TCTEX1D2 mutations underlie Jeune asphyxiating thoracic dystrophy with impaired retrograde intraflagellar transport.

    PubMed

    Schmidts, Miriam; Hou, Yuqing; Cortés, Claudio R; Mans, Dorus A; Huber, Celine; Boldt, Karsten; Patel, Mitali; van Reeuwijk, Jeroen; Plaza, Jean-Marc; van Beersum, Sylvia E C; Yap, Zhi Min; Letteboer, Stef J F; Taylor, S Paige; Herridge, Warren; Johnson, Colin A; Scambler, Peter J; Ueffing, Marius; Kayserili, Hulya; Krakow, Deborah; King, Stephen M; Beales, Philip L; Al-Gazali, Lihadh; Wicking, Carol; Cormier-Daire, Valerie; Roepman, Ronald; Mitchison, Hannah M; Witman, George B

    2015-01-01

    The analysis of individuals with ciliary chondrodysplasias can shed light on sensitive mechanisms controlling ciliogenesis and cell signalling that are essential to embryonic development and survival. Here we identify TCTEX1D2 mutations causing Jeune asphyxiating thoracic dystrophy with partially penetrant inheritance. Loss of TCTEX1D2 impairs retrograde intraflagellar transport (IFT) in humans and the protist Chlamydomonas, accompanied by destabilization of the retrograde IFT dynein motor. We thus define TCTEX1D2 as an integral component of the evolutionarily conserved retrograde IFT machinery. In complex with several IFT dynein light chains, it is required for correct vertebrate skeletal formation but may be functionally redundant under certain conditions. PMID:26044572

  4. TCTEX1D2 mutations underlie Jeune asphyxiating thoracic dystrophy with impaired retrograde intraflagellar transport

    PubMed Central

    Schmidts, Miriam; Hou, Yuqing; Cortés, Claudio R.; Mans, Dorus A.; Huber, Celine; Boldt, Karsten; Patel, Mitali; van Reeuwijk, Jeroen; Plaza, Jean-Marc; van Beersum, Sylvia E. C.; Yap, Zhi Min; Letteboer, Stef J. F.; Taylor, S. Paige; Herridge, Warren; Johnson, Colin A.; Scambler, Peter J.; Ueffing, Marius; Kayserili, Hulya; Krakow, Deborah; King, Stephen M.; Beales, Philip L.; Al-Gazali, Lihadh; Wicking, Carol; Cormier-Daire, Valerie; Roepman, Ronald; Mitchison, Hannah M.; Witman, George B.; Al-Turki, Saeed; Anderson, Carl; Anney, Richard; Antony, Dinu; Asimit, Jennifer; Ayub, Mohammad; Barrett, Jeff; Barroso, Inês; Bentham, Jamie; Bhattacharya, Shoumo; Blackwood, Douglas; Bobrow, Martin; Bochukova, Elena; Bolton, Patrick; Boustred, Chris; Breen, Gerome; Brion, Marie-Jo; Brown, Andrew; Calissano, Mattia; Carss, Keren; Chatterjee, Krishna; Chen, Lu; Cirak, Sebhattin; Clapham, Peter; Clement, Gail; Coates, Guy; Collier, David; Cosgrove, Catherine; Cox, Tony; Craddock, Nick; Crooks, Lucy; Curran, Sarah; Daly, Allan; Danecek, Petr; Smith, George Davey; Day-Williams, Aaron; Day, Ian; Durbin, Richard; Edkins, Sarah; Ellis, Peter; Evans, David; Farooqi, I. Sadaf; Fatemifar, Ghazaleh; Fitzpatrick, David; Flicek, Paul; Floyd, Jamie; Foley, A. Reghan; Franklin, Chris; Futema, Marta; Gallagher, Louise; Gaunt, Tom; Geschwind, Daniel; Greenwood, Celia; Grozeva, Detelina; Guo, Xiaosen; Gurling, Hugh; Hart, Deborah; Hendricks, Audrey; Holmans, Peter; Huang, Jie; Humphries, Steve E.; Hurles, Matt; Hysi, Pirro; Jackson, David; Jamshidi, Yalda; Jewell, David; Chris, Joyce; Kaye, Jane; Keane, Thomas; Kemp, John; Kennedy, Karen; Kent, Alastair; Kolb-Kokocinski, Anja; Lachance, Genevieve; Langford, Cordelia; Lee, Irene; Li, Rui; Li, Yingrui; Ryan, Liu; Lönnqvist, Jouko; Lopes, Margarida; MacArthur, Daniel G.; Massimo, Mangino; Marchini, Jonathan; Maslen, John; McCarthy, Shane; McGuffin, Peter; McIntosh, Andrew; McKechanie, Andrew; McQuillin, Andrew; Memari, Yasin; Metrustry, Sarah; Min, Josine; Moayyeri, Alireza; Morris, James; Muddyman, Dawn; Muntoni, Francesco; Northstone, Kate; O'Donovan, Michael; O'Rahilly, Stephen; Onoufriadis, Alexandros; Oualkacha, Karim; Owen, Michael; Palotie, Aarno; Panoutsopoulou, Kalliope; Parker, Victoria; Parr, Jeremy; Paternoster, Lavinia; Paunio, Tiina; Payne, Felicity; Perry, John; Pietilainen, Olli; Plagnol, Vincent; Quail, Michael A.; Quaye, Lydia; Raymond, Lucy; Rehnström, Karola; Brent Richards, J.; Ring, Sue; Ritchie, Graham R S; Savage, David B.; Schoenmakers, Nadia; Semple, Robert K.; Serra, Eva; Shihab, Hashem; Shin, So-Youn; Skuse, David; Small, Kerrin; Smee, Carol; Soler, Artigas María; Soranzo, Nicole; Southam, Lorraine; Spector, Tim; St Pourcain, Beate; St. Clair, David; Stalker, Jim; Surdulescu, Gabriela; Suvisaari, Jaana; Tachmazidou, Ioanna; Tian, Jing; Timpson, Nic; Tobin, Martin; Valdes, Ana; van Kogelenberg, Margriet; Vijayarangakannan, Parthiban; Wain, Louise; Walter, Klaudia; Wang, Jun; Ward, Kirsten; Wheeler, Ellie; Whittall, Ros; Williams, Hywel; Williamson, Kathy; Wilson, Scott G.; Wong, Kim; Whyte, Tamieka; ChangJiang, Xu; Zeggini, Eleftheria; Zhang, Feng; Zheng, Hou-Feng

    2015-01-01

    The analysis of individuals with ciliary chondrodysplasias can shed light on sensitive mechanisms controlling ciliogenesis and cell signalling that are essential to embryonic development and survival. Here we identify TCTEX1D2 mutations causing Jeune asphyxiating thoracic dystrophy with partially penetrant inheritance. Loss of TCTEX1D2 impairs retrograde intraflagellar transport (IFT) in humans and the protist Chlamydomonas, accompanied by destabilization of the retrograde IFT dynein motor. We thus define TCTEX1D2 as an integral component of the evolutionarily conserved retrograde IFT machinery. In complex with several IFT dynein light chains, it is required for correct vertebrate skeletal formation but may be functionally redundant under certain conditions. PMID:26044572

  5. DESIGN PACKAGE 1D SYSTEM SAFETY ANALYSIS

    SciTech Connect

    L.R. Eisler

    1995-02-02

    The purpose of this analysis is to systematically identify and evaluate hazards related to the Yucca Mountain Project Exploratory Studies Facility (ESF) Design Package 1D, Surface Facilities, (for a list of design items included in the package 1D system safety analysis see section 3). This process is an integral part of the systems engineering process; whereby safety is considered during planning, design, testing, and construction. A largely qualitative approach was used since a radiological System Safety analysis is not required. The risk assessment in this analysis characterizes the accident scenarios associated with the Design Package 1D structures/systems/components in terms of relative risk and includes recommendations for mitigating all identified risks. The priority for recommending and implementing mitigation control features is: (1) Incorporate measures to reduce risks and hazards into the structure/system/component (S/S/C) design, (2) add safety devices and capabilities to the designs that reduce risk, (3) provide devices that detect and warn personnel of hazardous conditions, and (4) develop procedures and conduct training to increase worker awareness of potential hazards, on methods to reduce exposure to hazards, and on the actions required to avoid accidents or correct hazardous conditions. The scope of this analysis is limited to the Design Package 1D structures/systems/components (S/S/Cs) during normal operations excluding hazards occurring during maintenance and ''off normal'' operations.

  6. The spin-dependent transport properties of zigzag α-graphyne nanoribbons and new device design.

    PubMed

    Ni, Yun; Wang, Xia; Tao, Wei; Zhu, Si-Cong; Yao, Kai-Lun

    2016-01-01

    By performing first-principle quantum transport calculations, we studied the electronic and transport properties of zigzag α-graphyne nanoribbons in different magnetic configurations. We designed the device based on zigzag α-graphyne nanoribbon and studied the spin-dependent transport properties, whose current-voltage curves show obvious spin-polarization and conductance plateaus. The interesting transport behaviours can be explained by the transport spectra under different magnetic configurations, which basically depends on the symmetry matching of the electrodes' bandstructures. Simultaneously, spin Seebeck effect is also found in the device. Thus, according to the transport behaviours, zigzag α-graphyne nanoribbons can be used as a dual spin filter diode, a molecule signal converter and a spin caloritronics device, which indicates that α-graphyne is a promising candidate for the future application in spintronics. PMID:27180808

  7. The spin-dependent transport properties of zigzag α-graphyne nanoribbons and new device design

    NASA Astrophysics Data System (ADS)

    Ni, Yun; Wang, Xia; Tao, Wei; Zhu, Si-Cong; Yao, Kai-Lun

    2016-05-01

    By performing first-principle quantum transport calculations, we studied the electronic and transport properties of zigzag α-graphyne nanoribbons in different magnetic configurations. We designed the device based on zigzag α-graphyne nanoribbon and studied the spin-dependent transport properties, whose current-voltage curves show obvious spin-polarization and conductance plateaus. The interesting transport behaviours can be explained by the transport spectra under different magnetic configurations, which basically depends on the symmetry matching of the electrodes’ bandstructures. Simultaneously, spin Seebeck effect is also found in the device. Thus, according to the transport behaviours, zigzag α-graphyne nanoribbons can be used as a dual spin filter diode, a molecule signal converter and a spin caloritronics device, which indicates that α-graphyne is a promising candidate for the future application in spintronics.

  8. Application of the Refined Zigzag Theory to the Modeling of Delaminations in Laminated Composites

    NASA Technical Reports Server (NTRS)

    Groh, Rainer M. J.; Weaver, Paul M.; Tessler, Alexander

    2015-01-01

    The Refined Zigzag Theory is applied to the modeling of delaminations in laminated composites. The commonly used cohesive zone approach is adapted for use within a continuum mechanics model, and then used to predict the onset and propagation of delamination in five cross-ply composite beams. The resin-rich area between individual composite plies is modeled explicitly using thin, discrete layers with isotropic material properties. A damage model is applied to these resin-rich layers to enable tracking of delamination propagation. The displacement jump across the damaged interfacial resin layer is captured using the zigzag function of the Refined Zigzag Theory. The overall model predicts the initiation of delamination to within 8% compared to experimental results and the load drop after propagation is represented accurately.

  9. Study of Nitrogen terminated doped zigzag GNR FET exhibiting negative differential resistance

    NASA Astrophysics Data System (ADS)

    Gupta, Santosh Kumar; Jaiswal, Girija Nandan

    2015-10-01

    This paper presents the study of Gallium and Aluminum doped Nitrogen terminated zigzag Graphene Nano Ribbon (GNR) FET with high-k dielectric. The GNR FET structure has been designed and simulated using Quantumwise Atomistix Toolkit software package. The presented GNR FET with n-type (Nitrogen doped) electrodes and p-type (Gallium or Aluminum doped) scattering region are simulated and analyzed using Density Functional Theory combined with NEGF formalism and Device Density of States (DDOS). The device shows a negative differential resistance phenomenon which can be controlled by the gate of the zigzag GNR FET. It is found that doping of Gallium and Aluminum in scattering region provides higher drain current, higher ION/IOFF and IP/IV ratios as compared to that of Boron doped zigzag GNR FET. The potential applications of the device are in logical, high frequency, and memory devices.

  10. Tuning magnetic splitting of zigzag graphene nanoribbons by edge functionalization with hydroxyl groups

    SciTech Connect

    Zhang, Huizhen; Yang, Haifang; Li, Lin; Fu, Huixia; Ma, Wei; Niu, Chunyao; Sun, Jiatao; Meng, Sheng; Gu, Changzhi

    2015-03-21

    The electronic properties and relative stability of zigzag graphene nanoribbons are studied by varying the percentage of hydroxyl radicals for edge saturation using first principle calculations. The passivated structures of zigzag graphene nanoribbon have spin-polarized ground state with antiferromagnetic exchange coupling across the edge and ferromagnetic coupling along the edges. When the edges are specially passivated by hydroxyl, the potentials of spin exchange interaction across the two edges shift accordingly, resulting into a spin-semiconductor. Varying the concentration of hydroxyl groups can alter the maximum magnetization splitting. When the percentage of asymmetrically adsorbed hydroxyl reaches 50%, the magnetization splitting can reach a value as high as 275 meV due to the asymmetrical potential across the nanoribbon edges. These results would favor spintronic device applications based on zigzag graphene nanoribbons.

  11. Half-metallic Dirac cone in zigzag graphene nanoribbons on graphene

    NASA Astrophysics Data System (ADS)

    Chen, M. X.; Weinert, M.

    2016-07-01

    The Dirac electrons of graphene, an intrinsic zero gap semiconductor, uniquely carry spin and pseudospin that give rise to many fascinating electronic and transport properties. While isolated zigzag graphene nanoribbons are antiferromagnetic semiconductors, we show by means of first-principles and tight-binding calculations that zigzag graphene nanoribbons supported on graphene are half metallic as a result of spin- and pseudospin-symmetry breaking. In particular, half-metallic Dirac cones are formed at K (K') near the Fermi level. The present results demonstrate that the unique combination of spin and pseudospin in zigzag graphene nanoribbons may be used to manipulate the electronic properties of graphene, and may have practical implications for potential graphene-based nanoelectronic applications.

  12. The spin-dependent transport properties of zigzag α-graphyne nanoribbons and new device design

    PubMed Central

    Ni, Yun; Wang, Xia; Tao, Wei; Zhu, Si-Cong; Yao, Kai-Lun

    2016-01-01

    By performing first-principle quantum transport calculations, we studied the electronic and transport properties of zigzag α-graphyne nanoribbons in different magnetic configurations. We designed the device based on zigzag α-graphyne nanoribbon and studied the spin-dependent transport properties, whose current-voltage curves show obvious spin-polarization and conductance plateaus. The interesting transport behaviours can be explained by the transport spectra under different magnetic configurations, which basically depends on the symmetry matching of the electrodes’ bandstructures. Simultaneously, spin Seebeck effect is also found in the device. Thus, according to the transport behaviours, zigzag α-graphyne nanoribbons can be used as a dual spin filter diode, a molecule signal converter and a spin caloritronics device, which indicates that α-graphyne is a promising candidate for the future application in spintronics. PMID:27180808

  13. Creation of liquid-crystal periodic zigzags by surface treatment and thermal annealing.

    PubMed

    Ryu, Seong Ho; Gim, Min-Jun; Cha, Yun Jeong; Shin, Tae Joo; Ahn, Hyungju; Yoon, Dong Ki

    2015-11-28

    The orientation control of soft matter to create a large area single domain is one of the most exciting research topics in materials science. Recently, this effort has been extended to fabricate two- or three-dimensional structures for electro-optical applications. Here, we create periodic zigzag structures in liquid crystals (LCs) using a combination of surface treatment and thermal annealing. The LC molecules in the nematic (N) phase were initially guided by the alignment layer of rubbed polymers, which were quenched and subsequently annealed in the smectic A (SmA) phase to create periodic zigzag structures that represent modulated layer structures. Direct investigation of the zigzags was performed using microscopy and diffraction techniques, showing the alternately arranged focal conic domains (FCDs) formed. The resulting macroscopic periodic structures will be of interest in further studies of the physical properties of soft matters. PMID:26355381

  14. DFT study of zigzag (n, 0) single-walled carbon nanotubes: (13)C NMR chemical shifts.

    PubMed

    Kupka, Teobald; Stachów, Michal; Stobiński, Leszek; Kaminský, Jakub

    2016-06-01

    (13)C NMR chemical shifts of selected finite-size models of pristine zigzag single walled carbon nanotubes (SWCNTs) with a diameter of ∼0.4-0.8nm and length up to 2.2nm were studied theoretically. Results for finite SWCNTs models containing 1, 4 and 10 adjacent bamboo-type units were compared with data obtained for infinite tubes in order to estimate the reliability of small finite models in predicting magnetic properties of real-size nanotubes and to assess their tube-length dependence. SWCNTs were fully optimized using unrestricted density functional theory (DFT-UB3LYP/6-31G*). Cyclacenes, as the shortest models of open-ended zigzag SWCNTs, with systematically varying diameter were calculated as well. GIAO NMR calculations on the SWCNT and cyclacene models were performed using the BHandH density functional combined with relatively small STO-3Gmag basis set, developed by Leszczyński and coworkers for accurate description of magnetic properties. Regular changes of carbon (13)C chemical shifts along the tube axis of real size (6, 0) and (9, 0) zigzag carbon nanotubes were shown. The (13)C NMR shifts according to increasing diameter calculated for zigzag (n, 0, n=5-10) cyclacenes followed the trends observed for zigzag (n, 0) SWCNTs. The results for 4-units long SWCNTs match reasonably well with the data obtained for infinite zigzag (n, 0) SWCNTs, especially to those with bigger diameter (n=8-15). The presence of rim hydrogens obviously affects theoretical (13)C chemical shieldings and shifts in cyclacenes and thus cyclacenes can provide only approximate estimation of (13)C NMR parameters of real-size SWCNTs. The NMR properties predicted for the longest 10-units long models of SWCNTs reliably correspond to results obtained for infinite nanotubes. They were thus able to accurately predict also recently reported experimental chemical shift of chiral (6, 5) SWCNT. PMID:27155813

  15. Geometrical Nonlinear Analysis of Composite Structures by Zigzag Theory—A Review

    NASA Astrophysics Data System (ADS)

    Shirbhate, N. J.; Tungikar, V. B.

    2010-10-01

    Advances in manufacturing technologies of composites leads to its uses as main load carrying structures which essentially need to be thick structures. Thus it is becoming increasingly important to predict accurately interlaminar variations of stresses and displacements along thickness of the composites. A review of the recent development of finite element methods for geometrical nonlinear analysis of composite structures specifically using zigzag theory is presented in this paper. The literature review is devoted to the recently developed finite elements, theories based on zigzag function for carrying out geometrical nonlinear analysis of composite structures. The future research is summarized finally.

  16. The role of the substrate structure in the on-surface synthesis of organometallic and covalent oligophenylene chains.

    PubMed

    Dai, Jingya; Fan, Qitang; Wang, Tao; Kuttner, Julian; Hilt, Gerhard; Gottfried, J Michael; Zhu, Junfa

    2016-07-27

    The influences of the substrate structure on the formation of one-dimensional organometallic and covalent oligomers on a Cu(110) surface were studied using scanning tunneling microscopy (STM), X-ray photoemission spectroscopy (XPS), and low energy electron diffraction (LEED) in ultrahigh vacuum (UHV). Vapor deposition of submonolayer 4,4''-dibromo-meta-terphenyl (DMTP) onto a Cu(110) surface at 300 K leads to scission of C-Br bonds and the formation of organometallic chains (cis/trans and all-trans) connected by C-Cu-C bonds. Larger islands (120 × 120 nm(2)) of all-trans zigzag organometallic chains as sole products were obtained by the deposition of DMTP onto Cu(110) held at 383 K. The domains are oriented along two directions with an angle of ±13° relative to the [0 0 1] direction due to the two-fold symmetry of the Cu(110) surface lattice. This study reveals at a sub-molecular level that the organometallic chains firstly lose copper atoms and then undergo C-C coupling into oligophenylene chains at a substrate temperature around 417 K. Annealing the large islands of organometallic chains at 458 K results in the formation of completely C-C covalently bonded zigzag oligophenylene chains. The zigzag angle of 125° slightly deviates from the ideal value of 120°. This is attributed to a stretching of the zigzag oligophenylene chains due to substrate template effects. PMID:27411742

  17. Preparation of 1D nanostructures using biomolecules

    NASA Astrophysics Data System (ADS)

    Pruneanu, Stela; Olenic, Liliana; Barbu Tudoran, Lucian; Kacso, Irina; Farha Al-Said, Said A.; Hassanien, Reda; Houlton, Andrew; Horrocks, Benjamin R.

    2009-08-01

    In this paper we have shown that one-dimensional (1D) particle arrays can be obtained using biomolecules, like DNA or amino-acids. Nano-arrays of silver and gold were prepared in a single-step synthesis, by exploiting the binding abilities of λ-DNA and L-Arginine. The morphology and optical properties of these nanostructures were investigated using AFM, TEM and UV-Vis absorption spectroscopy.

  18. Centrosome Positioning in 1D Cell Migration

    NASA Astrophysics Data System (ADS)

    Adlerz, Katrina; Aranda-Espinoza, Helim

    During cell migration, the positioning of the centrosome and nucleus define a cell's polarity. For a cell migrating on a two-dimensional substrate the centrosome is positioned in front of the nucleus. Under one-dimensional confinement, however, the centrosome is positioned behind the nucleus in 60% of cells. It is known that the centrosome is positioned by CDC42 and dynein for cells moving on a 2D substrate in a wound-healing assay. It is currently unknown, however, if this is also true for cells moving under 1D confinement, where the centrosome position is often reversed. Therefore, centrosome positioning was studied in cells migrating under 1D confinement, which mimics cells migrating through 3D matrices. 3 to 5 μm fibronectin lines were stamped onto a glass substrate and cells with fluorescently labeled nuclei and centrosomes migrated on the lines. Our results show that when a cell changes directions the centrosome position is maintained. That is, when the centrosome is between the nucleus and the cell's trailing edge and the cell changes direction, the centrosome will be translocated across the nucleus to the back of the cell again. A dynein inhibitor did have an influence on centrosome positioning in 1D migration and change of directions.

  19. Coalescence phenomena in 1D silver nanostructures

    NASA Astrophysics Data System (ADS)

    Gutiérrez-Wing, C.; Pérez-Alvarez, M.; Mondragón-Galicia, G.; Arenas-Alatorre, J.; Gutiérrez-Wing, M. T.; Henk, M. C.; Negulescu, I. I.; Rusch, K. A.

    2009-07-01

    Different coalescence processes on 1D silver nanostructures synthesized by a PVP assisted reaction in ethylene glycol at 160 °C were studied experimentally and theoretically. Analysis by TEM and HRTEM shows different defects found on the body of these materials, suggesting that they were induced by previous coalescence processes in the synthesis stage. TEM observations showed that irradiation with the electron beam eliminates the boundaries formed near the edges of the structures, suggesting that this process can be carried out by the application of other means of energy (i.e. thermal). These results were also confirmed by theoretical calculations by Monte Carlo simulations using a Sutton-Chen potential. A theoretical study by molecular dynamics simulation of the different coalescence processes on 1D silver nanostructures is presented, showing a surface energy driven sequence followed to form the final coalesced structure. Calculations were made at 1000-1300 K, which is near the melting temperature of silver (1234 K). Based on these results, it is proposed that 1D nanostructures can grow through a secondary mechanism based on coalescence, without losing their dimensionality.

  20. On-surface synthesis of graphene nanoribbons with zigzag edge topology.

    PubMed

    Ruffieux, Pascal; Wang, Shiyong; Yang, Bo; Sánchez-Sánchez, Carlos; Liu, Jia; Dienel, Thomas; Talirz, Leopold; Shinde, Prashant; Pignedoli, Carlo A; Passerone, Daniele; Dumslaff, Tim; Feng, Xinliang; Müllen, Klaus; Fasel, Roman

    2016-03-24

    Graphene-based nanostructures exhibit electronic properties that are not present in extended graphene. For example, quantum confinement in carbon nanotubes and armchair graphene nanoribbons leads to the opening of substantial electronic bandgaps that are directly linked to their structural boundary conditions. Nanostructures with zigzag edges are expected to host spin-polarized electronic edge states and can thus serve as key elements for graphene-based spintronics. The edge states of zigzag graphene nanoribbons (ZGNRs) are predicted to couple ferromagnetically along the edge and antiferromagnetically between the edges, but direct observation of spin-polarized edge states for zigzag edge topologies--including ZGNRs--has not yet been achieved owing to the limited precision of current top-down approaches. Here we describe the bottom-up synthesis of ZGNRs through surface-assisted polymerization and cyclodehydrogenation of specifically designed precursor monomers to yield atomically precise zigzag edges. Using scanning tunnelling spectroscopy we show the existence of edge-localized states with large energy splittings. We expect that the availability of ZGNRs will enable the characterization of their predicted spin-related properties, such as spin confinement and filtering, and will ultimately add the spin degree of freedom to graphene-based circuitry. PMID:27008967

  1. Ab initio study of semiconductor atoms impurities in zigzag edge (10,0) carbon nanotubes

    SciTech Connect

    Muttaqien, Fahdzi Suprijadi

    2015-04-16

    The substitutional impurities in zigzag edge (10,0) carbon nanotubes have been studied by using first principles calculations. Silicon (Si), gallium (Ga), and arsenic (As) atom have been chosen as semiconductor based-atom for replacing carbon atoms in CNT’s surface. The silicon atom changes the energy gap of pristine zigzag (10,0) CNT, it is 0.19 eV more narrow than that of pristine CNT. Geometrically, the silicon atom creates sp{sup 3} bond with three adjacent carbon atoms, where the tetrahedral form of its sp{sup 3} bond is consisted of free unoccupied state. The silicon atom does not induce magnetism to zigzag CNT. Due to gallium (Ga) and arsenic (As) atom substitution, the zigzag CNT becomes metallic and has magnetic moment of 1 µ{sub B}. The valance and conduction band are crossed each other, then the energy gap is vanished. The electronic properties of GaAs-doped CNT are dominantly affected by gallium atom and its magnetic properties are dominantly affected by arsenic atom. These results prove that the CNT with desired properties can be obtained with substitutional impurities without any giving structural defect.

  2. Anisotropic tight-binding model applied to zigzag ultra-small nanotubes

    NASA Astrophysics Data System (ADS)

    Ribeiro, A. N.; Macedo, C. A.

    2010-04-01

    A single-wall carbon nanotube (SWCNT) can be visualized as a graphene rolled into a cylinder. Tight-binding band structure calculations, with hopping between nearest-neighbor π orbitals only (NNTB), established rules by which both the mode in which the graphene is rolled up and the diameter determine whether the SWCNT is a metal or a semiconductor. However, when the diameter of the SWCNT is ultra-small its large curvature results in the breakage of these rules. In this work, we studied zigzag (n, 0) SWCNTs with diameters smaller than 0.7 nm using a π orbital-only tight-binding model including anisotropy in the hopping between next-nearest-neighbor sites (ANNNTB). Band overlaps were found in the electronic band structures of the zigzag SWCNTs for n=3, 4, 5, and 6, indicating that they are metals. The reason why the band structures of armchair and chiral SWCNTs are less affected by curvature effects becomes clear with the ANNNTB model, as does the reason why non-degenerate states cause band overlaps of the zigzag SWCNTs for n=3, 4, 5, and 6. Our results show that a π orbital-only tight-binding model is able to describe both the band overlaps and gaps obtained by ab initio calculations for zigzag SWCNTs.

  3. Performance of a large-area GEM detector read out with wide radial zigzag strips

    NASA Astrophysics Data System (ADS)

    Zhang, Aiwu; Bhopatkar, Vallary; Hansen, Eric; Hohlmann, Marcus; Khanal, Shreeya; Phipps, Michael; Starling, Elizabeth; Twigger, Jessie; Walton, Kimberly

    2016-03-01

    A 1-meter-long trapezoidal Triple-GEM detector with wide readout strips was tested in hadron beams at the Fermilab Test Beam Facility in October 2013. The readout strips have a special zigzag geometry and run radially with an azimuthal pitch of 1.37 mrad to measure the azimuthal ϕ-coordinate of incident particles. The zigzag geometry of the readout reduces the required number of electronic channels by a factor of three compared to conventional straight readout strips while preserving good angular resolution. The average crosstalk between zigzag strips is measured to be an acceptable 5.5%. The detection efficiency of the detector is (98.4±0.2)%. When the non-linearity of the zigzag-strip response is corrected with track information, the angular resolution is measured to be (193±3) μrad, which corresponds to 14% of the angular strip pitch. Multiple Coulomb scattering effects are fully taken into account in the data analysis with the help of a stand-alone Geant4 simulation that estimates interpolated track errors.

  4. Communication: Origin of the difference between carbon nanotube armchair and zigzag ends

    SciTech Connect

    Li, Yunguo Ahuja, Rajeev; Larsson, J. Andreas

    2014-03-07

    In this work, we have found that the difference between armchair and zigzag ends of carbon nanotubes (CNTs) does not pertain at close study for individual bonds and thus alternative strategies need to be developed to reach the ultimate goals in selective growth. Based on first-principles simulations, the difference between binding strengths for CNTs of different chirality was investigated using hydrogen dissociation energies at their passivated ends. When all H atoms are removed collectively we find the well-known difference: that armchair bonds are much weaker than zigzag ones, which is typically seen for both CNT ends and graphene edges. However, when individual H atoms are removed we find almost no difference in hydrogen dissociation energies, small difference in bond lengths, which by association means small difference in C–C and M–C binding energies. We show convincingly that the difference in binding energy between armchair and zigzag ends is due to a fragment stabilization effect that is only manifested when all (or several neighbouring) bonds are broken. This is because at armchair ends/edges neighbouring dangling bonds can pair-up to form C≡C triple bonds that constitute a considerable stabilization effect compared to the isolated dangling bonds at zigzag ends/edges. Consequently, in many processes, e.g., catalytic growth where bonds are normally created/broken sequentially, not collectively, the difference between armchair and zigzag ends/edges cannot be used to discriminate growth of one type over the other to achieve chiral selective growth. Strategies are discussed to realize chirality selective growth in the light of the results presented, including addition of C{sub 2}-fragments to favor armchair tubes.

  5. 1-D EQUILIBRIUM DISCRETE DIFFUSION MONTE CARLO

    SciTech Connect

    T. EVANS; ET AL

    2000-08-01

    We present a new hybrid Monte Carlo method for 1-D equilibrium diffusion problems in which the radiation field coexists with matter in local thermodynamic equilibrium. This method, the Equilibrium Discrete Diffusion Monte Carlo (EqDDMC) method, combines Monte Carlo particles with spatially discrete diffusion solutions. We verify the EqDDMC method with computational results from three slab problems. The EqDDMC method represents an incremental step toward applying this hybrid methodology to non-equilibrium diffusion, where it could be simultaneously coupled to Monte Carlo transport.

  6. Tctex1d2 Is a Negative Regulator of GLUT4 Translocation and Glucose Uptake.

    PubMed

    Shimoda, Yoko; Okada, Shuichi; Yamada, Eijiro; Pessin, Jeffrey E; Yamada, Masanobu

    2015-10-01

    Tctex1d2 (Tctex1 domain containing 2) is an open reading frame that encodes for a functionally unknown protein that contains a Tctex1 domain found in dynein light chain family members. Examination of gene expression during adipogenesis demonstrated a marked increase in Tctex1d2 protein expression that was essentially undetectable in preadipocytes and markedly induced during 3T3-L1 adipocyte differentiation. Tctex1d2 overexpression significantly inhibited insulin-stimulated glucose transporter 4 (GLUT4) translocation and 2-deoxyglucose uptake. In contrast, Tctex1d2 knockdown significantly increased insulin-stimulated GLUT4 translocation and 2-deoxyglucose uptake. However, acute insulin stimulation (up to 30 min) in 3T3-L1 adipocytes with overexpression or knockdown of Tctex1d2 had no effect on Akt phosphorylation, a critical signal transduction target required for GLUT4 translocation. Although overexpression of Tctex1d2 had no significant effect on GLUT4 internalization, Tctex1d2 was found to associate with syntaxin 4 in an insulin-dependent manner and inhibit Doc2b binding to syntaxin 4. In addition, glucose-dependent insulinotropic polypeptide rescued the Tctex1d2 inhibition of insulin-stimulated GLUT4 translocation by suppressing the Tctex1d2-syntaxin 4 interaction and increasing Doc2b-Synatxin4 interactions. Taking these results together, we hypothesized that Tctex1d2 is a novel syntaxin 4 binding protein that functions as a negative regulator of GLUT4 plasma membrane translocation through inhibition of the Doc2b-syntaxin 4 interaction. PMID:26200093

  7. Nanoscale stabilization of zintl compounds: 1D ionic Li-P double helix confined inside a carbon nanotube

    NASA Astrophysics Data System (ADS)

    Ivanov, Alexander S.; Kar, Tapas; Boldyrev, Alexander I.

    2016-02-01

    One-dimensional (1D) ionic nanowires are extremely rare materials due to the difficulty in stabilizing 1D chains of ions under ambient conditions. We demonstrate here a theoretical prediction of a novel hybrid material, a nanotube encapsulated 1D ionic lithium monophosphide (LiP) chain, featuring a unique double-helix structure, which is very unusual in inorganic chemistry. This nanocomposite has been investigated with density functional theory, including molecular dynamics simulations and electronic structure calculations. We find that the formation of the LiP double-helical nanowire is facilitated by strong interactions between LiP and CNTs resulting in a charge transfer. This work suggests that nanostructured confinement may be used to stabilize other polyphosphide 1D chains, thus opening new ways to study the chemistry of zintl compounds at the nanoscale.One-dimensional (1D) ionic nanowires are extremely rare materials due to the difficulty in stabilizing 1D chains of ions under ambient conditions. We demonstrate here a theoretical prediction of a novel hybrid material, a nanotube encapsulated 1D ionic lithium monophosphide (LiP) chain, featuring a unique double-helix structure, which is very unusual in inorganic chemistry. This nanocomposite has been investigated with density functional theory, including molecular dynamics simulations and electronic structure calculations. We find that the formation of the LiP double-helical nanowire is facilitated by strong interactions between LiP and CNTs resulting in a charge transfer. This work suggests that nanostructured confinement may be used to stabilize other polyphosphide 1D chains, thus opening new ways to study the chemistry of zintl compounds at the nanoscale. Electronic supplementary information (ESI) available: Additional DOS, band structures, and Bader charges for LiP@SWCNTs. See DOI: 10.1039/c5nr07713c

  8. Mycobacterial phosphatidylinositol mannoside is a natural antigen for CD1d-restricted T cells

    PubMed Central

    Fischer, Karsten; Scotet, Emmanuel; Niemeyer, Marcus; Koebernick, Heidrun; Zerrahn, Jens; Maillet, Sophie; Hurwitz, Robert; Kursar, Mischo; Bonneville, Marc; Kaufmann, Stefan H. E.; Schaible, Ulrich E.

    2004-01-01

    A group of T cells recognizes glycolipids presented by molecules of the CD1 family. The CD1d-restricted natural killer T cells (NKT cells) are primarily considered to be self-reactive. By employing CD1d-binding and T cell assays, the following structural parameters for presentation by CD1d were defined for a number of mycobacterial and mammalian lipids: two acyl chains facilitated binding, and a polar head group was essential for T cell recognition. Of the mycobacterial lipids tested, only a phosphatidylinositol mannoside (PIM) fulfilled the requirements for CD1d binding and NKT cell stimulation. This PIM activated human and murine NKT cells via CD1d, thereby triggering antigen-specific IFN-γ production and cell-mediated cytotoxicity, and PIM-loaded CD1d tetramers identified a subpopulation of murine and human NKT cells. This phospholipid, therefore, represents a mycobacterial antigen recognized by T cells in the context of CD1d. PMID:15243159

  9. A 1-D dusty plasma photonic crystal

    SciTech Connect

    Mitu, M. L.; Ticoş, C. M.; Toader, D.; Banu, N.; Scurtu, A.

    2013-09-21

    It is demonstrated numerically that a 1-D plasma crystal made of micron size cylindrical dust particles can, in principle, work as a photonic crystal for terahertz waves. The dust rods are parallel to each other and arranged in a linear string forming a periodic structure of dielectric-plasma regions. The dispersion equation is found by solving the waves equation with the boundary conditions at the dust-plasma interface and taking into account the dielectric permittivity of the dust material and plasma. The wavelength of the electromagnetic waves is in the range of a few hundred microns, close to the interparticle separation distance. The band gaps of the 1-D plasma crystal are numerically found for different types of dust materials, separation distances between the dust rods and rod diameters. The distance between levitated dust rods forming a string in rf plasma is shown experimentally to vary over a relatively wide range, from 650 μm to about 1350 μm, depending on the rf power fed into the discharge.

  10. 1D-VAR Retrieval Using Superchannels

    NASA Technical Reports Server (NTRS)

    Liu, Xu; Zhou, Daniel; Larar, Allen; Smith, William L.; Schluessel, Peter; Mango, Stephen; SaintGermain, Karen

    2008-01-01

    Since modern ultra-spectral remote sensors have thousands of channels, it is difficult to include all of them in a 1D-var retrieval system. We will describe a physical inversion algorithm, which includes all available channels for the atmospheric temperature, moisture, cloud, and surface parameter retrievals. Both the forward model and the inversion algorithm compress the channel radiances into super channels. These super channels are obtained by projecting the radiance spectra onto a set of pre-calculated eigenvectors. The forward model provides both super channel properties and jacobian in EOF space directly. For ultra-spectral sensors such as Infrared Atmospheric Sounding Interferometer (IASI) and the NPOESS Airborne Sounder Testbed Interferometer (NAST), a compression ratio of more than 80 can be achieved, leading to a significant reduction in computations involved in an inversion process. Results will be shown applying the algorithm to real IASI and NAST data.

  11. Spin-polarized currents generated by magnetic Fe atomic chains.

    PubMed

    Lin, Zheng-Zhe; Chen, Xi

    2014-06-13

    Fe-based devices are widely used in spintronics because of high spin-polarization and magnetism. In this work, freestanding Fe atomic chains, the thinnest wires, were used to generate spin-polarized currents due to the spin-polarized energy bands. By ab initio calculations, the zigzag structure was found to be more stable than the wide-angle zigzag structure and had a higher ratio of spin-up and spin-down currents. By our theoretical prediction, Fe atomic chains have a sufficiently long thermal lifetime only at T ≦̸ 150 K, while C atomic chains are very stable even at T = 1000 K. This means that the spintronic devices based on Fe chains could work only at low temperatures. A system constructed by a short Fe chain sandwiched between two graphene electrodes could be used as a spin-polarized current generator, while a C chain could not be used in this way. The present work may be instructive and meaningful to further practical applications based on recent technical developments on the preparation of metal atomic chains (Proc. Natl. Acad. Sci. USA 107 9055 (2010)). PMID:24849670

  12. The effects on the electronic properties of BN nanoribbon with C-chain substitution doping

    NASA Astrophysics Data System (ADS)

    Wang, Zhiyong; Zhao, Yayun; Sun, Mengyao; Xiao, Jianrong; Lu, Maowang; Wang, Liu; Zeng, Yaping; Long, Mengqiu

    2016-08-01

    The electronic properties of Boron-Nitrogen (BN) nanoribbon with Carbon (C)-chain substitution doping are investigated by performing first-principle calculations based on density functional theory. For the zigzag BN nanoribbon, the spin-unpolarized calculated results exhibit the insulator-semiconductor-metal transition with the number of substitution C-chain increasing. But for the armchair BN nanoribbon in the spin-unpolarized calculations, it is found that it appears the insulator-metal-semiconductor transition. The band gap of BN nanoribbon can be tuned according to the C-chain doping ratio. Interestingly, spin-polarized calculations exhibiting half-metallic may be tuned by changing the number of C-chain in the zigzag BN nanoribbon, opening a possibility in spintronics device based on BN nanoribbon.

  13. On the origin of multi-step spin transition behaviour in 1D nanoparticles

    NASA Astrophysics Data System (ADS)

    Chiruta, Daniel; Jureschi, Catalin-Maricel; Linares, Jorge; Dahoo, Pierre Richard; Garcia, Yann; Rotaru, Aurelian

    2015-09-01

    To investigate the spin state switching mechanism in spin crossover (SCO) nanoparticles, a special attention is given to three-step thermally induced SCO behavior in 1D chains. An additional term is included in the standard Ising-like Hamiltonian to account for the border interaction between SCO molecules and its local environment. It is shown that this additional interaction, together with the short range interaction, drives the multi-steps thermal hysteretic behavior in 1D SCO systems. The relation between a polymeric matrix and this particular multi-step SCO phenomenon is discussed accordingly. Finally, the environmental influence on the SCO system's size is analyzed as well.

  14. Generation and characterization of CD1d-specific single-domain antibodies with distinct functional features.

    PubMed

    Lameris, Roeland; de Bruin, Renée C G; van Bergen En Henegouwen, Paul M P; Verheul, Henk M; Zweegman, Sonja; de Gruijl, Tanja D; van der Vliet, Hans J

    2016-09-01

    Ligation of the CD1d antigen-presenting molecule by monoclonal antibodies (mAbs) can trigger important biological functions. For therapeutic purposes camelid-derived variable domain of heavy-chain-only antibodies (VHH) have multiple advantages over mAbs because they are small, stable and have low immunogenicity. Here, we generated 21 human CD1d-specific VHH by immunizing Lama glama and subsequent phage display. Two clones induced maturation of dendritic cells, one clone induced early apoptosis in CD1d-expressing B lymphoblasts and multiple myeloma cells, and another clone blocked recognition of glycolipid-loaded CD1d by CD1d-restricted invariant natural killer T (iNKT) cells. In contrast to reported CD1d-specific mAbs, these CD1d-specific VHH have the unique characteristic that they induce specific and well-defined biological effects. This feature, combined with the above-indicated general advantages of VHH, make the CD1d-specific VHH generated here unique and useful tools to exploit both CD1d ligation as well as disruption of CD1d-iNKT interactions in the treatment of cancer or inflammatory disorders. PMID:27312006

  15. Low temperature edge dynamics of AB-stacked bilayer graphene: naturally favored closed zigzag edges.

    PubMed

    Zhan, Da; Liu, Lei; Xu, Ya Nan; Ni, Zhen Hua; Yan, Jia Xu; Zhao, Chun; Shen, Ze Xiang

    2011-01-01

    Closed edges bilayer graphene (CEBG) is a recent discovered novel form of graphene structures, whose regulated edge states may critically change the overall electronic behaviors. If stacked properly with the AB style, the bilayer graphene with closed zigzag edges may even present amazing electronic properties of bandgap opening and charge separation. Experimentally, the CEBG has been confirmed recently with HRTEM observations after extremely high temperature annealing (2000 °C). From the application point of view, the low temperature closing of the graphene edges would be much more feasible for large-scale graphene-based electronic devices fabrication. Here, we demonstrate that the zigzag edges of AB-stacked bilayer graphene will form curved close structure naturally at low annealing temperature (< 500 °C) based on Raman observation and first principles analysis. Such findings may illuminate a simple and easy way to engineer graphene electronics. PMID:22355531

  16. Optical properties of fluorescent zigzag graphene quantum dots derived from multi-walled carbon nanotubes

    SciTech Connect

    Chen, Wei; Li, Fushan Wu, Chaoxing; Guo, Tailiang

    2014-02-10

    Graphene quantum dots (GQDs), which are edge-bound nanometer-size graphene pieces, have fascinating electronic and optical properties due to their quantum confinement and edge effect. In this paper, GQDs were synthesized by using acid treatment and chemical exfoliation of multi-walled carbon nanotubes (MWCNTs). The structure of the GQDs was investigated by transmission electron microscope. The GQDs have a uniform size distribution, zigzag edge structure and two-dimensional morphology. The results indicated that the GQDs have bright blue emission upon UV excitation. The highly fluorescent GQDs exhibited high water solubility and good stability. It is shown that the acid treatment of MWCNTs leads to the formation of the functional group in zigzag sites, which results in the pH-dependent fluorescence of the GQDs.

  17. Perfect Spin-filtering in graphene monolayer-bilayer superlattice with zigzag boundaries

    NASA Astrophysics Data System (ADS)

    Yu, Hang; Liu, Jun-Feng

    2016-05-01

    We show that the spontaneous magnetization is formed at the zigzag boundary between monolayer and bilayer graphene by the self-consistent calculation based on Hubbard model. In a monolayer- bilayer graphene superlattice with zigzag boundaries, it is surprising that nearly 100% spin polarization is achieved in the energy window around the Dirac point, no matter the magnetization configuration at two boundaries is parallel or antiparallel. The reason is that the low-energy transport is only influenced by the magnetization at one edge, but not by that at the other. The underlying physics is unveiled by the spin-split band structure and the distribution of the wave-function pertaining to the lowest (highest) subband of electron (hole).

  18. Perfect Spin-filtering in graphene monolayer-bilayer superlattice with zigzag boundaries.

    PubMed

    Yu, Hang; Liu, Jun-Feng

    2016-01-01

    We show that the spontaneous magnetization is formed at the zigzag boundary between monolayer and bilayer graphene by the self-consistent calculation based on Hubbard model. In a monolayer- bilayer graphene superlattice with zigzag boundaries, it is surprising that nearly 100% spin polarization is achieved in the energy window around the Dirac point, no matter the magnetization configuration at two boundaries is parallel or antiparallel. The reason is that the low-energy transport is only influenced by the magnetization at one edge, but not by that at the other. The underlying physics is unveiled by the spin-split band structure and the distribution of the wave-function pertaining to the lowest (highest) subband of electron (hole). PMID:27140666

  19. Perfect Spin-filtering in graphene monolayer-bilayer superlattice with zigzag boundaries

    PubMed Central

    Yu, Hang; Liu, Jun-Feng

    2016-01-01

    We show that the spontaneous magnetization is formed at the zigzag boundary between monolayer and bilayer graphene by the self-consistent calculation based on Hubbard model. In a monolayer- bilayer graphene superlattice with zigzag boundaries, it is surprising that nearly 100% spin polarization is achieved in the energy window around the Dirac point, no matter the magnetization configuration at two boundaries is parallel or antiparallel. The reason is that the low-energy transport is only influenced by the magnetization at one edge, but not by that at the other. The underlying physics is unveiled by the spin-split band structure and the distribution of the wave-function pertaining to the lowest (highest) subband of electron (hole). PMID:27140666

  20. Which nanowire couples better electrically to a metal contact: Armchair or zigzag nanotube?

    NASA Technical Reports Server (NTRS)

    Anantram, M. P.; Biegel, Bryan (Technical Monitor)

    2001-01-01

    The fundamental question of how chirality affects tile electronic coupling of a nanotube to metal contacts is important for tile application of nanotubes as nanowires. We show that metallic-zigzag nanotubes are superior to armchair nanotubes as nanowires, by modeling the metal-nanotube interface. More specifically, we show that as a function of coupling strength, the total electron transmission of armchair nanotubes increases and tends to be pinned close to unity for a metal with Fermi wave vector close to that of gold. In contrast, the transmission probability of zigzag nanotubes increases to the maximum possible value of two. The origin of these effects lies in the details of the wave function, which is explained.

  1. Magnetic structure and Magnetic transport Properties of Graphene Nanoribbons With Sawtooth Zigzag Edges

    PubMed Central

    Wang, D.; Zhang, Z.; Zhu, Z.; Liang, B.

    2014-01-01

    The magnetic structure and magnetic transport properties of hydrogen-passivated sawtooth zigzag-edge graphene nanoribbons (STGNRs) are investigated theoretically. It is found that all-sized ground-state STGNRs are ferromagnetic and always feature magnetic semiconductor properties, whose spin splitting energy gap Eg changes periodically with the width of STGNRs. More importantly, for the STGNR based device, the dual spin-filtering effect with the perfect (100%) spin polarization and high-performance dual spin diode effect with a rectification ratio about 1010 can be predicted. Particularly, a highly effective spin-valve device is likely to be realized, which displays a giant magnetoresistace (MR) approaching 1010%, which is three orders magnitude higher than the value predicted based on the zigzag graphene nanoribbons and six orders magnitude higher than previously reported experimental values for the MgO tunnel junction. Our findings suggest that STGNRs might hold a significant promise for developing spintronic devices. PMID:25533701

  2. Atypical natural killer T-cell receptor recognition of CD1d-lipid antigens.

    PubMed

    Le Nours, Jérôme; Praveena, T; Pellicci, Daniel G; Gherardin, Nicholas A; Ross, Fiona J; Lim, Ricky T; Besra, Gurdyal S; Keshipeddy, Santosh; Richardson, Stewart K; Howell, Amy R; Gras, Stephanie; Godfrey, Dale I; Rossjohn, Jamie; Uldrich, Adam P

    2016-01-01

    Crucial to Natural Killer T (NKT) cell function is the interaction between their T-cell receptor (TCR) and CD1d-antigen complex. However, the diversity of the NKT cell repertoire and the ensuing interactions with CD1d-antigen remain unclear. We describe an atypical population of CD1d-α-galactosylceramide (α-GalCer)-reactive human NKT cells that differ markedly from the prototypical TRAV10-TRAJ18-TRBV25-1(+) type I NKT cell repertoire. These cells express a range of TCR α- and β-chains that show differential recognition of glycolipid antigens. Two atypical NKT TCRs (TRAV21-TRAJ8-TRBV7-8 and TRAV12-3-TRAJ27-TRBV6-5) bind orthogonally over the A'-pocket of CD1d, adopting distinct docking modes that contrast with the docking mode of all type I NKT TCR-CD1d-antigen complexes. Moreover, the interactions with α-GalCer differ between the type I and these atypical NKT TCRs. Accordingly, diverse NKT TCR repertoire usage manifests in varied docking strategies and specificities towards CD1d-α-GalCer and related antigens, thus providing far greater scope for diverse glycolipid antigen recognition. PMID:26875526

  3. Refinement of Timoshenko Beam Theory for Composite and Sandwich Beams Using Zigzag Kinematics

    NASA Technical Reports Server (NTRS)

    Tessler, Alexander; DiSciuva, Marco; Gherlone, Marco

    2007-01-01

    A new refined theory for laminated-composite and sandwich beams that contains the kinematics of the Timoshenko Beam Theory as a proper baseline subset is presented. This variationally consistent theory is derived from the virtual work principle and employs a novel piecewise linear zigzag function that provides a more realistic representation of the deformation states of transverse shear flexible beams than other similar theories. This new zigzag function is unique in that it vanishes at the top and bottom bounding surfaces of a beam. The formulation does not enforce continuity of the transverse shear stress across the beam s cross-section, yet is robust. Two major shortcomings that are inherent in the previous zigzag theories, shear-force inconsistency and difficulties in simulating clamped boundary conditions, and that have greatly limited the utility of these previous theories are discussed in detail. An approach that has successfully resolved these shortcomings is presented herein. This new theory can be readily extended to plate and shell structures, and should be useful for obtaining accurate estimates of structural response of laminated composites.

  4. Zigzag Generalized Lévy Walk: the In Vivo Search Strategy of Immunocytes

    PubMed Central

    Li, Hui; Qi, Shuhong; Jin, Honglin; Qi, Zhongyang; Zhang, Zhihong; Fu, Ling; Luo, Qingming

    2015-01-01

    Immune responses are based on the coordinated searching behaviors of immunocytes that are aimed at tracking down specific targets. The search efficiency of immunocytes significantly affects the speed of initiation and development of immune responses. Previous studies have shown that not only the intermittent walk but also the zigzag turning preference of immunocytes contributes to the search efficiency. However, among existing models describing immunocytes' search strategy, none has captured both features. Here we propose a zigzag generalized Lévy walk model to describe the search strategy of immunocytes more accurately and comprehensively by considering both the intermittent and the zigzag-turning walk features. Based on the analysis of the searching behaviors of typical immune cell types, dendritic cells and leukocytes, in their native physiological environment, we demonstrate that the model can describe the in vivo search strategy of immunocytes well. Furthermore, by analyzing the search efficiency, we find that this type of search strategy enables immunocytes to capture rare targets in approximately half the time than the previously proposed generalized Lévy walk. This study sheds new light on the fundamental mechanisms that drive the efficient initiation and development of immune responses and in turn may lead to the development of novel therapeutic approaches for diseases ranging from infection to cancer. PMID:26379792

  5. A Hybrid Density Functional Study Of Pure Ge And GeC Nanotubes: Zigzag Configuration

    NASA Astrophysics Data System (ADS)

    Rathi, Somilkumar J.; Ray, Asok K.

    2009-03-01

    Ab initio calculations within the framework of hybrid density functional theory and finite cluster approximation have been performed for the electronic and geometric structures of pure zigzag Ge and three different types of zigzag germanium carbide nanotubes from (3, 3) to (11, 11). Full geometry and spin optimizations with unrestricted symmetry have been performed. A detailed stability investigation of the topologically similar nanotubes with dependence of the electronic band gaps on the respective tube diameters, energy density of states, and dipole moments have been carried out for all the tubes. Using Mulliken charge analysis charge density distribution along the tube lengths is calculated. In depth structural analysis of the structure and molecular orbitals are also reported. From our results it is clear that type I zigzag nanotubes are the most stable structures. For pure Ge, type II, and type III GeC nanotubes the chemical bonding have mixed ionic-covalent character, while for type I GeC tubes are ionic in nature. A wide spectrum of band gap values is also obtained for these nanotubes. This present study also opens up the possibilities for numerous applications of hybrid Ge based nanotubes.

  6. High power tube solid-state laser with zigzag propagation of pump and laser beam

    NASA Astrophysics Data System (ADS)

    Savich, Michael

    2015-02-01

    A novel resonator and pumping design with zigzag propagation of pumping and laser beams permits to design an improved tube Solid State Laser (SSL), solving the problem of short absorption path to produce a high power laser beam (100 - 1000kW). The novel design provides an amplifier module and laser oscillator. The tube-shaped SSL includes a gain element fiber-optically coupled to a pumping source. The fiber optic coupling facilitates light entry at compound Brewster's angle of incidence into the laser gain element and uses internal reflection to follow a "zigzag" path in a generally spiral direction along the length of the tube. Optics are arranged for zigzag propagation of the laser beam, while the cryogenic cooling system is traditional. The novel method of lasing uses advantages of cylindrical geometry to reach the high volume of gain medium with compactness and structural rigidity, attain high pump density and uniformity, and reach a low threshold without excessive increase of the temperature of the crystal. The design minimizes thermal lensing and stress effects, and provides high gain amplification, high power extraction from lasing medium, high pumping and lasing efficiency and a high beam quality.

  7. Crystal structure of 7,8,9,10-tetra­hydro­benzo[b]naphtho­[2,1-d]furan

    PubMed Central

    Wu, Zhongyuan; Reetz, Manfred T.; Harms, Klaus

    2016-01-01

    In the title compound, C16H14O, the cyclo­hexene ring has a half-chair conformation. The mean plane, calculated through all non-H atoms of the mol­ecule, except for the central CH2 atoms of the cyclo­hexene ring, which deviate by 0.340 (3) and −0.369 (3) Å from this mean plane, has an r.m.s. deviation of 0.012 Å. In the crystal, there are C—H⋯π contacts present, resulting in the formation of zigzag chains propagating along the [010] direction. PMID:26870597

  8. Self-assembly of mixed-valence Co(II/III) and Ni(II) clusters: azide-bridged 1D single chain coordination polymers comprised of tetranuclear units, tetranuclear Co(II/III) complexes, ferromagnetically coupled azide-bridged tetranuclear, and hexanuclear Ni(II) complexes: synthesis, structural, and magnetic properties.

    PubMed

    Tandon, Santokh S; Bunge, Scott D; Rakosi, Robert; Xu, Zhiqiang; Thompson, Laurence K

    2009-09-01

    One-pot reactions between 2,6-diformyl-4-methylphenol (DFMP) and 2-aminoethanol (AE) in the presence of cobalt(II) salts [Co(ClO4)2, CoCl2, Co(CH3CO2)2, Co(NO3)2] and sodium azide result in the self-assembly of novel one-dimensional single chain mixed-valence cobalt coordination polymers {[Co2(II)Co2(III) (HL)2(OCH3)2(N3)3]ClO(4).5H2O.CH3OH}n (1), {[Co2(II)Co2(III) (HL)2(OCH3)2(N3)3]Cl.H2O}n (2) in which tetra-cobalt cationic units are bridged by symmetrical 1,3-azides, forming single chains; mixed valence neutral tetranuclear clusters [Co2(II)Co2(III) (HL)2(OCH3)2(N3)4]CH3OH.2H2O (3), [Co2(II)Co2(III)(HL)2(OCH3)2(N3)2(CH3CO2)2].2CH3OH.2H2O (4), and the cationic cluster [Co2(II) Co2(III) (HL)2(OCH3)2(CH3OH)2(N3)2](NO3)2 (5). In all these reactions, H3L, the potentially pentadentate (N2O3), trianionic double Schiff base ligand 2,6-bis[(2-hydroxy-ethylimino)-methyl]-4-methylphenol is formed. The reaction between DFMP and AE in the presence of nickel(ii) salts and sodium azide in methanol-water mixture results in the self-assembly of ferromagnetically coupled hexanuclear complexes [Ni6(H2L)2(HL-1)2(H2O)2(N3)6](ClO4)(2).2CH3OH (6), and [Ni6(H2L)2(HL-1)2(CH3OH)2(N3)6](BF4)2 (7), involving double (H3L) and single (H2L-1) Schiff base ligands, and a neutral tetranuclear complex [Ni4(H2L)2(OCH3)2(CH3CO2)2(N3)2] (8) with only double Schiff-base (H3L). In these complexes, the nature of the anion and the reaction conditions seem to play an important role in directing the formation of tetranuclear, hexanuclear or polymeric clusters. All complexes involve divacant double cubane-type cores containing three to four different types of bridging ligands (phenoxy, azido, methoxy/alkoxy, and acetate). Variable temperature magnetic properties of these spin coupled clusters have been investigated and magneto-structural correlations have been established. PMID:19672499

  9. 1D-1D Coulomb drag in a 6 Million Mobility Bi-layer Heterostructure

    NASA Astrophysics Data System (ADS)

    Bilodeau, Simon; Laroche, Dominique; Xia, Jian-Sheng; Lilly, Mike; Reno, John; Pfeiffer, Loren; West, Ken; Gervais, Guillaume

    We report Coulomb drag measurements in vertically-coupled quantum wires. The wires are fabricated in GaAs/AlGaAs bilayer heterostructures grown from two different MBE chambers: one at Sandia National Laboratories (1.2M mobility), and the other at Princeton University (6M mobility). The previously observed positive and negative drag signals are seen in both types of devices, demonstrating the robustness of the result. However, attempts to determine the temperature dependence of the drag signal in the 1D regime proved challenging in the higher mobility heterostructure (Princeton), in part because of difficulties in aligning the wires within the same transverse subband configuration. Nevertheless, this work, performed at the Microkelvin laboratory of the University of Florida, is an important proof-of-concept for future investigations of the temperature dependence of the 1D-1D drag signal down to a few mK. Such an experiment could confirm the Luttinger charge density wave interlocking predicted to occur in the wires. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL8500.

  10. Understanding 1D Electrostatic Dust Levitation

    NASA Astrophysics Data System (ADS)

    Hartzell, C. M.; Scheeres, D. J.

    2011-12-01

    Electrostatically-dominated dust motion has been hypothesized since the Lunar Horizon Glow was observed by the Surveyor spacecraft. The hypothesized occurence of this phenomenon was naturally extended to asteroids due to their small gravities. Additionally, it has been suggested that the dust ponds observed on Eros by the NEAR mission may be created by electrostatically-dominated dust transport. Previous attempts to numerically model dust motion on the Moon and Eros have been stymied by poorly understood dust launching mechanisms. As a result, the initial velocity and charge of dust particles used in numerical simulations may or may not have any relevance to the actual conditions occurring in situ. It has been seen that properly tuned initial states (velocity and charge) result in dust particles levitating above the surface in both 1D and 2D simulations. Levitation is of interest to planetary scientists since it provides a way to quickly redistribute the surface dust particles over a body. However, there is currently no method to predict whether or not a certain initial state will result in levitation. We have developed a method to provide constraints on the initial states that result in levitation as a function of dust particle size and central body gravity. Additionally, our method can be applied to several models of the plasma sheath. Thus, we limit the guesswork involved in determining which initial conditions result in levitation. We provide a more detailed understanding of levitation phenomena couched in terms of the commonly recognized spring-mass system. This method of understanding dust motion removes the dependency on the launching mechanism, which remains fraught with controversy. Once a feasible dust launching mechanism is identified (be it micrometeoroid bombardment or electrostatic lofting), our method will allow the community to quickly ascertain if dust levitation will occur in situ or if it is simply a numerical artifact. In addition to

  11. Multi-Bit Nano-Electromechanical Nonvolatile Memory Cells (Zigzag T Cells) for the Suppression of Bit-to-Bit Interference.

    PubMed

    Choi, Woo Young; Han, Jae Hwan; Cha, Tae Min

    2016-05-01

    Multi-bit nano-electromechanical (NEM) nonvolatile memory cells such as T cells were proposed for higher memory density. However, they suffered from bit-to-bit interference (BI). In order to suppress BI without sacrificing cell size, this paper proposes zigzag T cell structures. The BI suppression of the proposed zigzag T cell is verified by finite-element modeling (FEM). Based on the FEM results, the design of zigzag T cells is optimized. PMID:27483893

  12. Substrate specificity and inhibitor analyses of human steroid 5β-reductase (AKR1D1)

    PubMed Central

    Chen, Mo; Drury, Jason E.; Penning, Trevor M.

    2011-01-01

    Human steroid 5β-reductase (Aldo-keto Reductase 1D1) catalyzes the stereospecific NADPH-dependent reduction of the C4-C5 double bond of Δ4-ketosteroids to yield an A/B cis-ring junction. This cis-configuration is crucial for bile acid biosynthesis and plays important roles in steroid metabolism. The biochemical properties of the enzyme have not been thoroughly studied and conflicting data have been reported, partially due to the lack of highly homogeneous protein. In the present study, we systematically determined the substrate specificity of homogeneous human recombinant AKR1D1 using C18, C19, C21, and C27 Δ4-ketosteroids and assessed the pH-rate dependence of the enzyme. Our results show that AKR1D1 proficiently reduced all the steroids tested at physiological pH, indicating AKR1D1 is the only enzyme necessary for all the 5β-steroid metabolite present in humans. Substrate inhibition was observed with C18 to C21 steroids provided that the side-chain at C17 was unsubstituted. This structure activity relationship can be explained by the existence of a small alternative substrate binding pocket revealed by the AKR1D1 crystal structure. Non-steroidal anti-inflammatory drugs which are potent inhibitors of the related AKR1C enzymes do not inhibit AKR1D1 by contrast chenodeoxycholate and ursodeoxycholate were found to be potent non-competitive inhibitors suggesting that bile-acids may regulate their own synthesis at the level of AKR1D1 inhibition. PMID:21255593

  13. Performance of a 500 watt Nd:GGG zigzag slab oscillator

    SciTech Connect

    Zapata, L.; Manes, K.R.; Christie, D.; Davin, J.; Blink, J.; Penland, J.; Demaret, R.; Dallum, G.

    1990-01-12

    Realization of practical multi-kilowatt Nd:garnet lasers will require the scale-up of crystal dimensions as well as more powerful pumping sources. A high average power zigzag slab crystal amplifier testing facility has been established at LLNL which employs two 100 kW{sub e} vortex stabilized arc lamps, cooled reflectors and a cooled, spectrally filtered, crystal slab mounting fixture. The operational characteristics of the first crystal laser to be tested in this setup, a Nd:GGG zigzag oscillator, are presented. A Nd:GGG crystal of dimensions 18 {times} 7 {times} 0.5 cm{sup 3}, doped at 2 {times} 10{sup 20} cm{sup {minus}3} Nd{sup 3+} atomic density, was pumped by up to 40 kW of filtered argon line emission. A small-signal single pass gain (losses excluded) of 1.09 was measured with a probe laser when the DC input to the lamps was 43 kW{sub e}. Our power supply was then modified to operate in a pulsed mode and provided one to three milliseconds pulses at 120 Hz. An average optical output power of 490 watts was obtained at a lamp input power of 93 kW{sub e} in an unoptimized resonator. The laser output power declined after a few tens of seconds since the slab tips were not properly cooled. A birdhouse specular lamp reflector and a contoured diffuse reflector were tested; in both cases the pump illuminated crystal surface was smaller than the total crystal face area. Fluorescence imaging of the zigzag amplifier's output aperture registered a smoother, more uniform pumping profile when the diffuse reflector was used. Uniformity of pumping results in decreased resonator loss and yields higher laser output power. Thermo-optic distortions observed in these preliminary tests are analyzed with the aid of computer simulations of the thermal fields, stresses, and surface displacements of our crystal slab. 3 refs., 12 figs.

  14. Zigzag faceting and width refinement of graphene nanoribbons and nanoperforations via catalyzed edge-annealing on Cu(111)

    NASA Astrophysics Data System (ADS)

    Safron, Nathaniel S.; Choi, Jonathan W.; Kim, Myungwoong; Shin, Naechul; Gopalan, Padma; Arnold, Michael S.

    2015-12-01

    Top-down subtractive lithography has previously been used to pattern graphene nanostructures which lack ideal properties due to (1) limited resolution and (2) disordered edges. Here, we introduce a method to convert such disordered edges into relatively smooth zigzag edges via annealing on a Cu(111) substrate at ~950 °C. The Cu catalyzes the re-arrangement of graphene edge atoms to energetically favorable sites, inducing zigzag edge faceting. The dimensions of the graphene nanostructures can be increased, decreased, or held constant during the annealing by tuning the relative balance between growth and etching reactions, described by a fundamental growth rate equation. To demonstrate the flexibility of this method, we lithographically pattern graphene nanoribbons with zigzag or armchair orientations, or alternatively perforate graphene with circular holes, and then anneal these nanostructures to realize zigzag edge termination in each case, with nanostructure feature size tailored from 8 to 80 nm. The annealed nanostructures have smoother zigzag edges (~40% reduction in 1σ line edge roughness), and Raman spectroscopy confirms that they have lower edge disorder than top-down patterned samples.

  15. Stabilities and mechanical and electronic properties on BN doped zigzag single-wall carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Vongachariya, Arthit; Parasuk, Vudhichai

    2015-12-01

    Electronic structures of undoped and BN doped zigzag (8,0) single-walled carbon nanotube (SWCNT) were investigated using density functional theoretical calculations. Their stabilities due to BN doping and spin states were considered and those with the shortest B-N distance and singlet spin is the most stable. The BN substitution also causes the reduction of the band gap energy. While the BN doping reduces the band gap energy from 0.606 to 0.183 eV, it has no effect on the Young's modulus value. The band gap energy of SWCNTs can be varied upon applying stress. At high stress ratio, SWCNT could become metallic.

  16. Energy scaling and beam quality studies of a zigzag solid-state plastic dye laser

    SciTech Connect

    Mandl, A.; Zavriyev, A.; Klimek, D.E.

    1996-10-01

    Studies of the energy scaling and beam quality improvement of a long-pulse laser pumped solid-state dye laser using a unique new zigzag optical configuration are presented. A beam quality of 1.7 XDL was measured using an unstable optical cavity at a laser output of 200 mJ. Single pulse energies as high as 1 J have been achieved. The laser has been operated at 5 Hz with an average output of about 250 mJ for runs up to 200 pulses.

  17. Zig-zag active-mirror laser with cryogenic Yb3+:YAG/YAG composite ceramics.

    PubMed

    Furuse, Hiroaki; Kawanaka, Junji; Miyanaga, Noriaki; Saiki, Taku; Imasaki, Kazuo; Fujita, Masayuki; Takeshita, Kenji; Ishii, Shinya; Izawa, Yasukazu

    2011-01-31

    We report on a novel amplifier configuration concept for a 10 kW laser system using a zig-zag optical path based on a cryogenic Yb:YAG Total-Reflection Active-Mirror (TRAM) laser. The laser material is a compact composite ceramic, in which three Yb:YAG TRAMs are combined in series to increase the output power. Output powers of up to 214 W with a slope efficiency of 63% have been demonstrated for CW operation, even at a quite low pump intensity of less than 170 W/cm2. Further scaling could achieve output powers of more than 10 kW. PMID:21369064

  18. Nonadiabatic pure spin pumping in zigzag graphene nanoribbons with proximity induced ferromagnetism

    NASA Astrophysics Data System (ADS)

    Cheraghchi, Hosein

    2016-01-01

    By combining Floquet theory with Green's function formalism, we present non-adiabatic quantum spin and charge pumping through a zigzag ferromagnetic graphene nanoribbon including a double-barriers structure driven weakly by two local ac gate voltages operating with a phase-lag. Over a wide range of Fermi energies, interesting quantum pumping such as (i) pure spin pumping with zero net charge pumping, (ii) pure charge pumping and (iii) fully spin polarized pumping can be achieved by tuning and manipulating driving frequency in the non-adiabatic regime. Spin polarized pumping which is measurable using the current technology depends on the competition between the energy level spacing and the driving frequency.

  19. Variation of electronic and magnetic properties of bilayer zigzag graphene nanoribbons by sliding and electric field

    NASA Astrophysics Data System (ADS)

    Senger, Ramazan Tugrul; Yagmurcukardes, Mehmet

    2014-03-01

    Structural, electronic and magnetic properties of bilayer zigzag graphene nanoribbons (BZGNR) are studied using density functional theory methods. We find that ground state stacking geometry of the layers depends on the width of BZGNR. Energy bandgap , edge-localized magnetic moments and the magnetic ordering are all modified by mechanical sliding of the layers and/or by external applied electric fields. These effects can be utilized in design of electro-mechanical and magneto-mechanical nano devices. We acknowledge financial support by TUBITAK through grant 111T318.

  20. Open-Shell Singlet Character of Cyclacenes and Short Zigzag Nanotubes

    SciTech Connect

    Chen, Zhongfang; Jiang, Deen; Lu, Xin; Dai, Sheng; Bettinger, Holger F; Houk, Kendall N; Schleyer, Paul von Ragu�

    2007-01-01

    The electronic ground states of [n]cyclacenes, as well as short-zigzag nanotubes, computed at unrestricted broken spin-symmetry density functional theory (UBS-DFT), were found to be open-shell singlets, rather than triplets. Computations for [6]cyclacene at complete active space self consistent field (CASSCF) and multi-reference perturbation theory (MRMP2) levels support this conclusion. Along with strain, the radical character of the open-shell singlet with antiferromagnetically coupled electron spins may contribute to the difficulties in synthesizing [n]cyclacenes.

  1. Focusing and directional beaming effects of airborne sound through a planar lens with zigzag slits

    SciTech Connect

    Tang, Kun; Qiu, Chunyin Lu, Jiuyang; Ke, Manzhu; Liu, Zhengyou

    2015-01-14

    Based on the Huygens-Fresnel principle, we design a planar lens to efficiently realize the interconversion between the point-like sound source and Gaussian beam in ambient air. The lens is constructed by a planar plate perforated elaborately with a nonuniform array of zigzag slits, where the slit exits act as subwavelength-sized secondary sources carrying desired sound responses. The experiments operated at audible regime agree well with the theoretical predictions. This compact device could be useful in daily life applications, such as for medical and detection purposes.

  2. Origins and Implications of Zigzag Rift atterns on the surface of lava lakes

    NASA Astrophysics Data System (ADS)

    Karlstrom, L.; Manga, M.

    2005-12-01

    The distinctive rift patterns observed on newly formed lava lakes are very likely a product of interaction between heat transfer (cooling of lava) and the ability of the solid crust to deform in response to applied stresses. Ragnarsson et al. ( Phys Rev Lett. 1996) observed similar features in analog wax experiments. The experimental setup consisted of a layer of liquid wax heated from below and cooled from above to create a solid crust, which is then pulled apart to form a rift filled with liquid wax. Of particular interest for lava lakes is a regime in which "zigzag" shaped rifts form. We performed a similar series of analog wax experiments designed to characterize the symmetric zigzag rift patterns associated with the cooling and deformation of a newly formed crust layer. The experimental setup is similar to that in Manga and Sinton ( JGR 2004). We vary the wind speed, which controls the cooling rate, and pulling speed. The rifts are characterized by two quantities: the angle between rifts and a line perpendicular to the pulling direction Φ, and the amplitude of the zigzags A. We find experimentally the relationship between Φ, A and cooling rate. We also develop a model to explain the observed relationships: Φ is determined by a balance of pulling and solidification speeds, the latter being governed by wind speed (the primary control on cooling rate); the amplitude A is limited by the thickness of the solid wax crust. The theoretical model is based on a local energy balance in which the conductive heat flux through solidifying crust is balanced by convective and radiative heat loss to the overlying air. Model predictions agree well with experimental results. We can scale this model to basaltic lava lakes. Observed angles are consistent with model predictions. The critical thickness of the solid crust, limiting the amplitude of zigzags (and rift propagation) is a few centimeters, consistent with other estimates (Harris et al., JVGR 2005). The model enables us

  3. Strain-induced 0-π transition in a zigzag graphene nanoribbon Josephson junction

    NASA Astrophysics Data System (ADS)

    Zou, Jianfei; Jin, Guojun

    2011-03-01

    We study theoretically the supercurrent through a superconductor/ferromagnetic zigzag graphene nanoribbon/superconductor junction by the Matsubara Green function method. The transformation of the supercurrent between the 0 and π states is remarkably realized in this Josephson junction by the combination of the uniaxial strain and gate-controlled barrier potential. Such strain-induced 0-π transition is found to result from the dependence of the effective Fermi velocity on the uniaxial strain in the graphene nanoribbon modulated by mechanical approaches.

  4. Human serotonin 1D receptor is encoded by a subfamily of two distinct genes: 5-HT1D alpha and 5-HT1D beta.

    PubMed Central

    Weinshank, R L; Zgombick, J M; Macchi, M J; Branchek, T A; Hartig, P R

    1992-01-01

    The serotonin 1D (5-HT1D) receptor is a pharmacologically defined binding site and functional receptor site. Observed variations in the properties of 5-HT1D receptors in different tissues have led to the speculation that multiple receptor proteins with slightly different properties may exist. We report here the cloning, deduced amino acid sequences, pharmacological properties, and second-messenger coupling of a pair of human 5-HT1D receptor genes, which we have designated 5-HT1D alpha and 5-HT1D beta due to their strong similarities in sequence, pharmacological properties, and second-messenger coupling. Both genes are free of introns in their coding regions, are expressed in the human cerebral cortex, and can couple to inhibition of adenylate cyclase activity. The pharmacological binding properties of these two human receptors are very similar, and match closely the pharmacological properties of human, bovine, and guinea pig 5-HT1D sites. Both receptors exhibit high-affinity binding of sumatriptan, a new anti-migraine medication, and thus are candidates for the pharmacological site of action of this drug. Images PMID:1565658

  5. Quasi-1D physics in metal-organic frameworks: MIL-47(V) from first principles

    PubMed Central

    Jaeken, Jan W; De Baerdemacker, Stijn; Lejaeghere, Kurt; Van Speybroeck, Veronique

    2014-01-01

    Summary The geometric and electronic structure of the MIL-47(V) metal-organic framework (MOF) is investigated by using ab initio density functional theory (DFT) calculations. Special focus is placed on the relation between the spin configuration and the properties of the MOF. The ground state is found to be antiferromagnetic, with an equilibrium volume of 1554.70 Å3. The transition pressure of the pressure-induced large-pore-to-narrow-pore phase transition is calculated to be 82 MPa and 124 MPa for systems with ferromagnetic and antiferromagnetic chains, respectively. For a mixed system, the transition pressure is found to be a weighted average of the ferromagnetic and antiferromagnetic transition pressures. Mapping DFT energies onto a simple-spin Hamiltonian shows both the intra- and inter-chain coupling to be antiferromagnetic, with the latter coupling constant being two orders of magnitude smaller than the former, suggesting the MIL-47(V) to present quasi-1D behavior. The electronic structure of the different spin configurations is investigated and it shows that the band gap position varies strongly with the spin configuration. The valence and conduction bands show a clear V d-character. In addition, these bands are flat in directions orthogonal to VO6 chains, while showing dispersion along the the direction of the VO6 chains, similar as for other quasi-1D materials. PMID:25383285

  6. Spin density waves predicted in zigzag puckered phosphorene, arsenene and antimonene nanoribbons

    NASA Astrophysics Data System (ADS)

    Wu, Xiaohua; Zhang, Xiaoli; Wang, Xianlong; Zeng, Zhi

    2016-04-01

    The pursuit of controlled magnetism in semiconductors has been a persisting goal in condensed matter physics. Recently, Vene (phosphorene, arsenene and antimonene) has been predicted as a new class of 2D-semiconductor with suitable band gap and high carrier mobility. In this work, we investigate the edge magnetism in zigzag puckered Vene nanoribbons (ZVNRs) based on the density functional theory. The band structures of ZVNRs show half-filled bands crossing the Fermi level at the midpoint of reciprocal lattice vectors, indicating a strong Peierls instability. To remove this instability, we consider two different mechanisms, namely, spin density wave (SDW) caused by electron-electron interaction and charge density wave (CDW) caused by electron-phonon coupling. We have found that an antiferromagnetic Mott-insulating state defined by SDW is the ground state of ZVNRs. In particular, SDW in ZVNRs displays several surprising characteristics:1) comparing with other nanoribbon systems, their magnetic moments are antiparallelly arranged at each zigzag edge and almost independent on the width of nanoribbons; 2) comparing with other SDW systems, its magnetic moments and band gap of SDW are unexpectedly large, indicating a higher SDW transition temperature in ZVNRs; 3) SDW can be effectively modified by strains and charge doping, which indicates that ZVNRs have bright prospects in nanoelectronic device.

  7. Unexpected magnetic semiconductor behavior in zigzag phosphorene nanoribbons driven by half-filled one dimensional band.

    PubMed

    Du, Yongping; Liu, Huimei; Xu, Bo; Sheng, Li; Yin, Jiang; Duan, Chun-Gang; Wan, Xiangang

    2015-01-01

    Phosphorene, as a novel two-dimensional material, has attracted a great interest due to its novel electronic structure. The pursuit of controlled magnetism in Phosphorene in particular has been persisting goal in this area. In this paper, an antiferromagnetic insulating state has been found in the zigzag phosphorene nanoribbons (ZPNRs) from the comprehensive density functional theory calculations. Comparing with other one-dimensional systems, the magnetism in ZPNRs display several surprising characteristics: (i) the magnetic moments are antiparallel arranged at each zigzag edge; (ii) the magnetism is quite stable in energy (about 29 meV/magnetic-ion) and the band gap is big (about 0.7 eV); (iii) the electronic and magnetic properties is almost independent on the width of nanoribbons; (iv) a moderate compressive strain will induce a magnetic to nonmagnetic as well as semiconductor to metal transition. All of these phenomena arise naturally due to one unique mechanism, namely the electronic instability induced by the half-filled one-dimensional bands which cross the Fermi level at around π/2a. The unusual electronic and magnetic properties in ZPNRs endow them possible potential for the applications in nanoelectronic devices. PMID:25747727

  8. Zigzagging causility model of EPR correlations and on the interpretation of quantum mechanics

    SciTech Connect

    de Beauregard, O.C.

    1988-09-01

    Being formalized inside the S-matrix scheme, the zigzagging causility model of EPR correlations has full Lorentz and CPT invariance. EPR correlations, proper or reversed, and Wheeler's smoky dragon metaphor are respectively pictured in a spacetime or in the momentum-energy space, as V-shaped, anti LAMBDA-shaped, or C-shaped ABC zigzags, with a summation at B over virtual states absolute value B>

  9. Topological phase and edge states dependence of the RKKY interaction in zigzag silicene nanoribbon

    NASA Astrophysics Data System (ADS)

    Zare, Moslem; Parhizgar, Fariborz; Asgari, Reza

    2016-07-01

    We propose versatile materials based on the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction in a zigzag silicene nanoribbon (ZSNR) on half filling in the presence of an out-of-plane electric field. We show that the topological phase transition in the band dispersion of ZSNR can be probed by using the RKKY interaction. We find that, due to the zero-energy edge states of the ZSNR, the exchange coupling is significantly enhanced when the impurities are located on the zigzag edges, and also explore that the strength of the interaction in the topological insulator phase is much greater than that when the system is in the band insulator region. We present a model to investigate the phase of a system of two magnetic impurities located on the edge of the ZSNR and find that three different magnetic phases, spiral, ferromagnetic, and antiferromagnetic, are possible for different values of the electric field. This electrical tunability of the magnetic phases in silicene can be explored by using current experimental techniques and can be of interest in the field of spintronics.

  10. Bidirectional bending of laminated composite plates using an improved zig-zag model

    NASA Astrophysics Data System (ADS)

    Lee, K. H.; Lin, W. Z.; Chow, S. T.

    The behaviour of simply supported rectangular symmetric cross-ply laminated composite plates subjected to bidirectional bending is determined using an improved zig-zag displacement model. The zig-zag model is based upon a layerwise cubic variation of the in-plane displacements and a parabolic variation of the transverse shear stresses with zero values at the free surfaces. By satisfying the continuity conditions of the in-plane displacements and the transverse shear stresses at the interfaces, the number of variables is shown to be the same as that in the first-order shear deformation theory of Mindlin, independent of the number of layers in the laminate. The accuracy of the model and its suitability for use in engineering design is examined by applying it to four established bidirectional bending problems which have been solved by Pagano using exact elasticity theory. The numerical results indicate that the present model predicts very accurate results for displacements and stresses for symmetric cross-ply laminates, even for small length-to-thickness ratios.

  11. Electronic Properties of Zigzag Graphene Nanoribbons Studied by TAO-DFT.

    PubMed

    Wu, Chun-Shian; Chai, Jeng-Da

    2015-05-12

    Accurate prediction of the electronic properties of zigzag graphene nanoribbons (ZGNRs) has been very challenging for conventional electronic structure methods due to the presence of strong static correlation effects. To meet the challenge, we study the singlet-triplet energy gaps, vertical ionization potentials, vertical electron affinities, fundamental gaps, and symmetrized von Neumann entropy (i.e., a measure of polyradical character) of hydrogen-terminated ZGNRs with different widths and lengths using our recently developed thermally-assistedoccupation density functional theory (TAO-DFT) [Chai, J.-D. J. Chem. Phys. 2012, 136, 154104], a very efficient method for the study of large strongly correlated systems. Our results are in good agreement with the available experimental and high-accuracy ab initio data. The ground states of ZGNRs are shown to be singlets for all the widths and lengths investigated. With the increase of ribbon length, the singlet-triplet energy gaps, vertical ionization potentials, and fundamental gaps decrease monotonically, while the vertical electron affinities and symmetrized von Neumann entropy increase monotonically. On the basis of the calculated orbitals and their occupation numbers, the longer ZGNRs are shown to possess increasing polyradical character in their ground states, where the active orbitals are mainly localized at the zigzag edges. PMID:26894252

  12. Unexpected Magnetic Semiconductor Behavior in Zigzag Phosphorene Nanoribbons Driven by Half-Filled One Dimensional Band

    PubMed Central

    Du, Yongping; Liu, Huimei; Xu, Bo; Sheng, Li; Yin, Jiang; Duan, Chun-Gang; Wan, Xiangang

    2015-01-01

    Phosphorene, as a novel two-dimensional material, has attracted a great interest due to its novel electronic structure. The pursuit of controlled magnetism in Phosphorene in particular has been persisting goal in this area. In this paper, an antiferromagnetic insulating state has been found in the zigzag phosphorene nanoribbons (ZPNRs) from the comprehensive density functional theory calculations. Comparing with other one-dimensional systems, the magnetism in ZPNRs display several surprising characteristics: (i) the magnetic moments are antiparallel arranged at each zigzag edge; (ii) the magnetism is quite stable in energy (about 29 meV/magnetic-ion) and the band gap is big (about 0.7 eV); (iii) the electronic and magnetic properties is almost independent on the width of nanoribbons; (iv) a moderate compressive strain will induce a magnetic to nonmagnetic as well as semiconductor to metal transition. All of these phenomena arise naturally due to one unique mechanism, namely the electronic instability induced by the half-filled one-dimensional bands which cross the Fermi level at around π/2a. The unusual electronic and magnetic properties in ZPNRs endow them possible potential for the applications in nanoelectronic devices. PMID:25747727

  13. Unexpected Magnetic Semiconductor Behavior in Zigzag Phosphorene Nanoribbons Driven by Half-Filled One Dimensional Band

    NASA Astrophysics Data System (ADS)

    Du, Yongping; Liu, Huimei; Xu, Bo; Sheng, Li; Yin, Jiang; Duan, Chun-Gang; Wan, Xiangang

    2015-03-01

    Phosphorene, as a novel two-dimensional material, has attracted a great interest due to its novel electronic structure. The pursuit of controlled magnetism in Phosphorene in particular has been persisting goal in this area. In this paper, an antiferromagnetic insulating state has been found in the zigzag phosphorene nanoribbons (ZPNRs) from the comprehensive density functional theory calculations. Comparing with other one-dimensional systems, the magnetism in ZPNRs display several surprising characteristics: (i) the magnetic moments are antiparallel arranged at each zigzag edge; (ii) the magnetism is quite stable in energy (about 29 meV/magnetic-ion) and the band gap is big (about 0.7 eV) (iii) the electronic and magnetic properties is almost independent on the width of nanoribbons; (iv) a moderate compressive strain will induce a magnetic to nonmagnetic as well as semiconductor to metal transition. All of these phenomena arise naturally due to one unique mechanism, namely the electronic instability induced by the half-filled one-dimensional bands which cross the Fermi level at around π/2a. The unusual electronic and magnetic properties in ZPNRs endow them possible potential for the applications in nanoelectronic devices.

  14. Magnetic structure and magnetic transport properties of graphene nanoribbons with sawtooth zigzag edges.

    PubMed

    Wang, D; Zhang, Z; Zhu, Z; Liang, B

    2014-01-01

    The magnetic structure and magnetic transport properties of hydrogen-passivated sawtooth zigzag-edge graphene nanoribbons (STGNRs) are investigated theoretically. It is found that all-sized ground-state STGNRs are ferromagnetic and always feature magnetic semiconductor properties, whose spin splitting energy gap E(g) changes periodically with the width of STGNRs. More importantly, for the STGNR based device, the dual spin-filtering effect with the perfect (100%) spin polarization and high-performance dual spin diode effect with a rectification ratio about 10(10) can be predicted. Particularly, a highly effective spin-valve device is likely to be realized, which displays a giant magnetoresistace (MR) approaching 10(10)%, which is three orders magnitude higher than the value predicted based on the zigzag graphene nanoribbons and six orders magnitude higher than previously reported experimental values for the MgO tunnel junction. Our findings suggest that STGNRs might hold a significant promise for developing spintronic devices. PMID:25533701

  15. Electric field effect on (6,0) zigzag single-walled aluminum nitride nanotube.

    PubMed

    Baei, Mohammad T; Peyghan, Ali Ahmadi; Moghimi, Masoumeh

    2012-09-01

    Structural, electronic, and electrical responses of the H-capped (6,0) zigzag single-walled aluminum nitride nanotube was studied under the parallel and transverse electric fields with strengths 0-140 × 10(-4) a.u. by using density functional calculations. Geometry optimizations were carried out at the B3LYP/6-31G* level of theory using a locally modified version of the GAMESS electronic structure program. The dipole moments, atomic charge variations, and total energy of the (6,0) zigzag AlNNT show increases with increase in the applied external electric field strengths. The length, tip diameters, electronic spatial extent, and molecular volume of the nanotube do not significantly change with increasing electric field strength. The energy gap of the nanotube decreases with increases of the electric field strength and its reactivity is increased. Increase of the ionization potential, electron affinity, chemical potential, electrophilicity, and HOMO and LUMO in the nanotube with increase of the applied parallel electric field strengths shows that the parallel field has a much stronger interaction with the nanotube with respect to the transverse electric field strengths. Analysis of the parameters indicates that the properties of AlNNTs can be controlled by the proper external electric field. PMID:22643968

  16. Bandgaps and directional properties of two-dimensional square beam-like zigzag lattices

    SciTech Connect

    Wang, Yan-Feng; Wang, Yue-Sheng; Zhang, Chuanzeng

    2014-12-15

    In this paper we propose four kinds of two-dimensional square beam-like zigzag lattice structures and study their bandgaps and directional propagation of elastic waves. The band structures are calculated by using the finite element method. Both the in-plane and out-of-plane waves are investigated simultaneously via the three-dimensional Euler beam elements. The mechanism of the bandgap generation is analyzed by studying the vibration modes at the bandgap edges. The effects of the geometry parameters of the xy- and z-zigzag lattices on the bandgaps are investigated and discussed. Multiple complete bandgaps are found owing to the separation of the degeneracy by introducing bending arms. The bandgaps are sensitive to the geometry parameters of the periodic systems. The deformed displacement fields of the harmonic responses of a finite lattice structure subjected to harmonic loads at different positions are illustrated to show the directional wave propagation. An extension of the proposed concept to the hexagonal lattices is also presented. The research work in this paper is relevant to the practical design of cellular structures with enhanced vibro-acoustics performance.

  17. Polarization effects in active Fresnel rhomb zig-zag slab amplifier

    SciTech Connect

    Bikmatov, R.G.; Chernyak, V.M.; Ignat`ev, L.P.; Kuznetsov, V.G.; Pergament, M.I.; Smirnov, R.V.; Sokolov, V.I.; Hunt, J.T.; Manes, K.

    1997-01-27

    The concept to use a slab as active element, working in zig-zag geometry, and also as Fresnel rhomb, seems to be rather attractive. However, in this case different depolarization effects in active element arc of crucial importance. We have carried out the estimations of depolarization effects arising both due to mechanical loading of an active element at its fastening and due to thermooptical distortions. To check up these rigid requirements to depolarization (0.1 % - 0.01 %) careful measurements of depolarization effects and their sources are being carried out. Mechanical loading gives one of the main contributions in depolarization at fastening of active element. Using model experiments with glass Fresnel rhomb under mechanical loading we have measured depolarization effects. It is proposed to use additional glass plate to compensate beam depolarization in zig-zag slab. The received results allow to expect successful use of the slab amplifier as a Fresnel rhomb providing rather high quality of optical material of active clement.

  18. A New, Simple and Versatile Strategy for the Synthesis of Short Segments of Zigzag-Type Carbon Nanotubes.

    PubMed

    André, Etienne; Boutonnet, Baptiste; Charles, Pauline; Martini, Cyril; Aguiar-Hualde, Juan-Manuel; Latil, Sylvain; Guérineau, Vincent; Hammad, Karim; Ray, Priyanka; Guillot, Régis; Huc, Vincent

    2016-02-01

    Short segments of zigzag single-walled carbon nanotubes (SWCNTs) were obtained from a calixarene scaffold by using a completely new, simple and expedited strategy that allowed fine-tuning of their diameters. This new approach also allows for functionalised short segments of zigzag SWCNTs to be obtained; a prerequisite towards their lengthening. These new SWCNT short segments/calixarene composites show interesting behaviour in solution. DFT analysis of these new compounds also suggests interesting photophysical behaviour. Along with the synthesis of various SWCNTs segments, this approach also constitutes a powerful tool for the construction of new, radially oriented π systems. PMID:26814358

  19. Brady 1D seismic velocity model ambient noise prelim

    DOE Data Explorer

    Mellors, Robert J.

    2013-10-25

    Preliminary 1D seismic velocity model derived from ambient noise correlation. 28 Green's functions filtered between 4-10 Hz for Vp, Vs, and Qs were calculated. 1D model estimated for each path. The final model is a median of the individual models. Resolution is best for the top 1 km. Poorly constrained with increasing depth.

  20. Realization of self-guided unidirectional waveguides by a chain of gyromagnetic rods.

    PubMed

    Li, Zhen; Wu, Rui-Xin; Li, Qing-Bo; Poo, Yin

    2015-02-20

    To achieve a unidirectional transmission waveguide with miniature dimensions and flexible geometry, we propose a self-guided unidirectional waveguide composed of a chain of gyromagnetic rods. Two configurations of the waveguides were demonstrated. One is of a zigzag chain form, the other is a straight-line chain. These two types of waveguides have very wide one-way edge mode bandwidths. The simulated and experimental results illustrate their extraordinary wideband one-way transmission characteristics. They can also be expected to function as flexible platforms for practical applications because of their thin transverse dimensions and robustness to bending. PMID:25968186

  1. On the self-assembly of TiOx into 1D NP network nanostructures

    NASA Astrophysics Data System (ADS)

    Redel, Engelbert; Sai Kiran Chakravadhanula, Venkata; Lan, Yanhua; Natzeck, Carsten; Heissler, Stefan

    2015-02-01

    Here, we report for the first time a ‘ligand free’ method of designing 1D TiOx supramolecular network materials, which starts from Ti bare metal powder. Each TiOx oxidation step has been carefully investigated with different analytical techniques, including high resolution transmission electron microscopy/high resolution scanning electron microscopy (HRTEM/HRSEM), x-ray photoelectron spectroscopy (XPS), Raman spectroscopy and superconducting quantum interference device (SQUID) measurements. The self-assembly of TiOx nanoparticles (NPs) into 1D supramolecular nanoparticle networks is induced by the formation of mixed valent TiII,III species. The synthesis starts with etching a bare Ti surface, followed by a continuous oxidation of TiOx clusters and NPs, and it finally ends with the self-assembly into rigid 1D NPs chains. Today, such self-assembled 1D NP TiOx network materials are bridging the gap between the nanoscale and the macroscopic material world and will further provide interesting research opportunities.

  2. Commensurate CO2 Capture, and Shape Selectivity for HCCH over H2CCH2, in Zigzag Channels of a Robust Cu(I)(CN)(L) Metal-Organic Framework.

    PubMed

    Miller, Reece G; Southon, Peter D; Kepert, Cameron J; Brooker, Sally

    2016-06-20

    A novel copper(I) metal-organic framework (MOF), {[Cu(I)2(py-pzpypz)2(μ-CN)2]·MeCN}n (1·MeCN), with an unusual topology is shown to be robust, retaining crystallinity during desolvation to give 1, which has also been structurally characterized [py-pzpypz is 4-(4-pyridyl)-2,5-dipyrazylpyridine)]. Zigzag-shaped channels, which in 1·MeCN were occupied by disordered MeCN molecules, run along the c axis of 1, resulting in a significant solvent-accessible void space (9.6% of the unit cell volume). These tight zigzags, bordered by (Cu(I)CN)n chains, make 1 an ideal candidate for investigations into shape-based selectivity. MOF 1 shows a moderate enthalpy of adsorption for binding CO2 (-32 kJ mol(-1) at moderate loadings), which results in a good selectivity for CO2 over N2 of 4.8:1 under real-world operating conditions of a 15:85 CO2/N2 mixture at 1 bar. Furthermore, 1 was investigated for shape-based selectivity of small hydrocarbons, revealing preferential uptake of linear acetylene gas over ethylene and methane, partially due to kinetic trapping of the guests with larger kinetic diameters. PMID:27258550

  3. Interaction of environmental contaminants with zebrafish organic anion transporting polypeptide, Oatp1d1 (Slco1d1)

    SciTech Connect

    Popovic, Marta; Zaja, Roko; Fent, Karl; Smital, Tvrtko

    2014-10-01

    Polyspecific transporters from the organic anion transporting polypeptide (OATP/Oatp) superfamily mediate the uptake of a wide range of compounds. In zebrafish, Oatp1d1 transports conjugated steroid hormones and cortisol. It is predominantly expressed in the liver, brain and testes. In this study we have characterized the transport of xenobiotics by the zebrafish Oatp1d1 transporter. We developed a novel assay for assessing Oatp1d1 interactors using the fluorescent probe Lucifer yellow and transient transfection in HEK293 cells. Our data showed that numerous environmental contaminants interact with zebrafish Oatp1d1. Oatp1d1 mediated the transport of diclofenac with very high affinity, followed by high affinity towards perfluorooctanesulfonic acid (PFOS), nonylphenol, gemfibrozil and 17α-ethinylestradiol; moderate affinity towards carbaryl, diazinon and caffeine; and low affinity towards metolachlor. Importantly, many environmental chemicals acted as strong inhibitors of Oatp1d1. A strong inhibition of Oatp1d1 transport activity was found by perfluorooctanoic acid (PFOA), chlorpyrifos-methyl, estrone (E1) and 17β-estradiol (E2), followed by moderate to low inhibition by diethyl phthalate, bisphenol A, 7-acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4 tetrahydronapthalene and clofibrate. In this study we identified Oatp1d1 as a first Solute Carrier (SLC) transporter involved in the transport of a wide range of xenobiotics in fish. Considering that Oatps in zebrafish have not been characterized before, our work on zebrafish Oatp1d1 offers important new insights on the understanding of uptake processes of environmental contaminants, and contributes to the better characterization of zebrafish as a model species. - Highlights: • We optimized a novel assay for determination of Oatp1d1 interactors • Oatp1d1 is the first SLC characterized fish xenobiotic transporter • PFOS, nonylphenol, diclofenac, EE2, caffeine are high affinity Oatp1d1substrates • PFOA, chlorpyrifos

  4. First principle study of structural, electronic and magnetic properties of zigzag boron nitride nanoribbon: Role of vacancies

    SciTech Connect

    Kumar, Arun; Bahadur, Amar; Mishra, Madhukar; Vasudeva, Neena

    2015-05-15

    We study the effect of vacancies on the structural, electronic and magnetic properties of zigzag boron nitride nanoribbon (ZBNNR) by using first principle calculations. We find that the shift of the vacancies with respect to the ribbon edges causes change in the structural geometry, electronic structure and magnetization of ZBNNR. These vacancies also produce band gap modulation and consequently results the magnetization of ZBNNR.

  5. Direct experimental determination of onset of electron-electron interactions in gap opening of zigzag graphene nanoribbons.

    PubMed

    Li, Y Y; Chen, M X; Weinert, M; Li, L

    2014-01-01

    Nanoribbons are model systems for studying nanoscale effects in graphene. For ribbons with zigzag edges, tunable bandgaps have been predicted due to coupling of spin-polarized edge states, which have yet to be systematically demonstrated experimentally. Here we synthesize zigzag nanoribbons using Fe nanoparticle-assisted hydrogen etching of epitaxial graphene/SiC(0001) in ultrahigh vacuum. We observe two gaps in their local density of states by scanning tunnelling spectroscopy. For ribbons wider than 3 nm, gaps up to 0.39 eV are found independent of width, consistent with standard density functional theory calculations. Ribbons narrower than 3 nm, however, exhibit much larger gaps that scale inversely with width, supporting quasiparticle corrections to the calculated gap. These results provide direct experimental confirmation of electron-electron interactions in gap opening in zigzag nanoribbons, and reveal a critical width of 3 nm for its onset. Our findings demonstrate that practical tunable bandgaps can be realized experimentally in zigzag nanoribbons. PMID:24986261

  6. Phosphorylation and desensitization of alpha1d-adrenergic receptors.

    PubMed Central

    García-Sáinz, J A; Vázquez-Cuevas, F G; Romero-Avila, M T

    2001-01-01

    In rat-1 fibroblasts stably expressing rat alpha(1d)-adrenoceptors, noradrenaline and PMA markedly decreased alpha(1d)-adrenoceptor function (noradrenaline-elicited increases in calcium in whole cells and [(35)S]guanosine 5'-[gamma-thio]triphosphate binding in membranes), suggesting homologous and heterologous desensitizations. Photoaffinity labelling, Western blotting and immunoprecipitation identified alpha(1d)-adrenoceptors as a broad band of 70-80 kDa. alpha(1d)-Adrenoceptors were phosphorylated in the basal state and noradrenaline and PMA increased it. The effect of noradrenaline was concentration-dependent (EC(50) 75 nM), rapid (maximum at 1 min) and transient. Phorbol ester-induced phosphorylation was concentration-dependent (EC(50) 25 nM), slightly slower (maximum at 5 min) and stable for at least 60 min. Inhibitors of protein kinase C decreased the effect of phorbol esters but not that of noradrenaline. Evidence of cross-talk of alpha(1d)-adrenoceptors with receptors endogenously expressed in rat-1 fibroblasts was given by the ability of endothelin, lysophosphatidic acid and bradykinin to induce alpha(1d)-adrenoceptor phosphorylation. In summary, it is shown for the first time here that alpha(1d)-adrenoceptors are phosphoproteins and that receptor phosphorylation is increased by the natural ligand, noradrenaline, by direct activation of protein kinase C and via cross-talk with other receptors endogenously expressed in rat-1 fibroblasts. Receptor phosphorylation has functional repercussions. PMID:11171057

  7. Cubic Zig-Zag Enrichment of the Classical Kirchhoff Kinematics for Laminated and Sandwich Plates

    NASA Technical Reports Server (NTRS)

    Nemeth, Michael P.

    2012-01-01

    A detailed anaylsis and examples are presented that show how to enrich the kinematics of classical Kirchhoff plate theory by appending them with a set of continuous piecewise-cubic functions. This analysis is used to obtain functions that contain the effects of laminate heterogeneity and asymmetry on the variations of the inplane displacements and transverse shearing stresses, for use with a {3, 0} plate theory in which these distributions are specified apriori. The functions used for the enrichment are based on the improved zig-zag plate theory presented recently by Tessler, Di Scuva, and Gherlone. With the approach presented herein, the inplane displacements are represented by a set of continuous piecewise-cubic functions, and the transverse shearing stresses and strains are represented by a set of piecewise-quadratic functions that are discontinuous at the ply interfaces.

  8. Application of silicon zig-zag wall arrays for anodes of Li-ion batteries

    NASA Astrophysics Data System (ADS)

    Li, G. V.; Rumyantsev, A. M.; Levitskii, V. S.; Beregulin, E. V.; Zhdanov, V. V.; Terukov, E. I.; Astrova, E. V.

    2016-01-01

    Cyclic tests of anodes based on zigzag wall arrays fabricated by the electrochemical etching and post-anodization treatment of silicon have been performed. Compared with anodes based on nanowires and planar thin films, these structures have several advantages. An ex situ analysis of the morphology and structural transformations in a material subjected to cyclic lithiation was conducted by electron microscopy and micro-Raman spectroscopy. The effect of geometrical parameters and a cycling mode on the degradation rate was studied. It is shown that a significant rise in the cycle life of the anode can be obtained by the restriction of the inserted amount of lithium. The anode, subjected to galvanostatic cycling at a rate С/2.8 at a limited charge capacity of 1000 mA · h g-1, demonstrates no degradation after 1200 cycles.

  9. Intrinsic and extrinsic strain induced structural change of zigzag graphene nanoribbon

    NASA Astrophysics Data System (ADS)

    Zhang, Zi-Yue; Guo, Wanlin

    2012-12-01

    When a graphene nanoribbon with zigzag edges is doped by a foreign element X, an intrinsic strain will be inevitable introduced into the doped system, which can induce structural change of the system. We find by first-principles calculations that doped nanoribbons could fold at the doping site for n-type dopants and the Xsbnd C bonds elongated substantially when X are p-type dopants. The height of apophysis and the length of Xsbnd C bonds can be modulated by doping charge states and the extrinsic strains in different directions. We have proposed a model of volume change unexpected contrary with the common expectation to explain this unusual behavior in ribbon structures.

  10. Perfect spin filtering effect and negative differential behavior in phosphorus-doped zigzag graphene nanoribbons

    PubMed Central

    Zou, Fei; Zhu, Lin; Yao, Kailun

    2015-01-01

    On the basis of the density functional theory combined with the Keldysh nonequilibrium Green’s function method, we investigate the spin-dependent transport properties of single-edge phosphorus-doped ZGNR systems with different widths. The results show a perfect spin filtering effect reaching 100% at a wide bias range in both parallel (P) and antiparallel (AP) spin configurations for all systems, especially for 6-ZGNR-P system. Instructively, for the AP spin configuration, the spin down current of the 4-ZGNR-P system exhibits a negative differential effect. By analyzing the transmission spectrum and the spin-resolved band structures of the electrodes, we elucidate the mechanism for these peculiar properties. Our findings provide a new way to produce multifunctional spintronic devices based on phosphorus-doped zigzag graphene nanoribbons. PMID:26514646

  11. Prediction of Composite Laminate Strength Properties Using a Refined Zigzag Plate Element

    NASA Technical Reports Server (NTRS)

    Barut, Atila; Madenci, Erdogan; Tessler, Alexander

    2013-01-01

    This study presents an approach that uses the refined zigzag element, RZE(exp2,2) in conjunction with progressive failure criteria to predict the ultimate strength of composite laminates based on only ply-level strength properties. The methodology involves four major steps: (1) Determination of accurate stress and strain fields under complex loading conditions using RZE(exp2,2)-based finite element analysis, (2) Determination of failure locations and failure modes using the commonly accepted Hashin's failure criteria, (3) Recursive degradation of the material stiffness, and (4) Non-linear incremental finite element analysis to obtain stress redistribution until global failure. The validity of this approach is established by considering the published test data and predictions for (1) strength of laminates under various off-axis loading, (2) strength of laminates with a hole under compression, and (3) strength of laminates with a hole under tension.

  12. Magnetic-field effects in graphene nanorings: armchair versus zigzag edge terminations

    NASA Astrophysics Data System (ADS)

    Yannouleas, Constantine; Romanovsky, Igor; Landman, Uzi

    2013-03-01

    Dirac quasiparticles in narrow graphene nanorings exhibit characteristic differences in their behavior depending on the shape (e.g., trigonal vs. hexagonal) and the type of edge terminations (armchair vs. zigzag). The differences are manifested in the tight-binding single-particle spectra as a function of the magnetic field B and in the patterns of the Aharonov-Bohm oscillations. The symmetry of shape leads to the appearance of three-member (triangles) or six-member (hexagons) braid bands.[2] With the exception of the formation of the braid bands, the characteristic differences maintain in the energy spectra of the continuous Dirac-Weyl equation for a circular ring of finite width. These differences will be further analyzed with the help of a relativistic superlattice model. Supported by the U.S. D.O.E. (FG05-86ER-45234)

  13. Novel Design for Centrifugal Countercurrent Chromatography: II. Studies on Novel Geometries of Zigzag Toroidal Tubing.

    PubMed

    Yang, Yi; Aisa, Haji Akber; Ito, Yoichiro

    2010-01-01

    The toroidal column using a zigzag pattern has been improved in both retention of the stationary phase and peak resolution. To further improve the retention of stationary phase and peak resolution, a series of novel geometric designs of tubing (plain, mid-clamping, flattened and flat-twisted tubing) was evaluated their performance in CCC. The results showed that the tubing which was flattened vertically against centrifugal force (vert-flattened tubing) produced the best peak resolution among them. Using vert-flattened tubing a series of experiments was performed to study the effects of column capacity and sample size. The results indicated that a 0.25 ml capacity column is ideal for analysis of small amount samples. PMID:20454530

  14. Multipulse operation of a high average power, good beam quality zig-zag dye laser

    SciTech Connect

    Mandl, A.; Klimek, D.E.

    1996-03-01

    A laser pumped zig-zag dye laser operating at 568 nm with a pulse length {approximately} 2 {micro}s has been scaled to high power using a MOPA configuration. Pulse energies in excess of 7 J with beam quality < 2 XDL have been achieved under repetitively pulsed, 10 Hz operation. RMS jitter was measured as 0.12 of a 1 XDL spot. The device has operated with over 70 W output for runs up to 5 s. Substantially longer run times and output powers are possible. This device represents an advance in dye laser capabilities. Improvement in pointing accuracy of better than an order of magnitude have been demonstrated. In addition, an improvement in beam quality by about an order of magnitude has been achieved compared to other dye lasers operating in this power range.

  15. Single-mode operation of a zig-zag dye laser

    SciTech Connect

    Mandl, A.; Klimek, D.E.

    1995-05-01

    The authors report single-mode operations of a laser pumped zig-zag dye laser for pulse length {gt}1{mu}s with beam quality close to the diffraction limit. A unique linear optical cavity using counter-propagating orthogonally polarized waves was used. Laser efficiency measurements performed with a stable cavity had outputs of greater than 1.7 J at 568 nm using Pyrromethene-567 dye. The intrinsic laser efficiency was 55% with a slope efficiency of 77%. Single-mode operation was achieved using an unstable resonator with intra-cavity etalons to control the free running modes of the cavity and seeding with a single-mode Kr-ion laser operating at 568 nm. Heterodyne measurements were used to determine that the bandwidth was near the transform limit with the frequency chirping at a rate {approximately}60 MHz/{mu}s. Far-field measurements of the beam quality indicated close to diffraction limited output.

  16. Chirp control of a single-mode, good beam quality, zigzag dye laser

    SciTech Connect

    Mandl, A.; Zavriyev, A.; Klimek, D.E.

    1997-03-01

    The authors report a substantial reduction of frequency chirp of a single-mode laser-pumped zigzag dye laser. A linear optical cavity using counterpropagating orthogonally polarized waves was injection-seeded at 568 nm and operated with a laser output of about 1 J. The chirp was controlled by an intracavity Pockels cell that was configured to add optical density at a rate which counterbalanced the decrease in optical density due to dye-solvent heating during the {approximately}1-{micro}s laser pulse. Heterodyne measurements were used to determine that the bandwidth was near the transform limit and chirp rate of {approximately}1 MHz/{micro}s. The beam quality of the laser was measured at 10 Hz as 1.7 XDL.

  17. Modulation instability in a zigzag array of nonlinear waveguides with alternating positive and negative refractive indices

    SciTech Connect

    Dovgiy, A A

    2014-12-31

    The modulation instability is analytically investigated in a zigzag array of tunnel-coupled optical waveguides with alternating refractive indices and Kerr nonlinearity. Particular solutions to a system of coupled nonlinear equations are found. They describe the propagation of electromagnetic waves that are uniform along the waveguide and their instability is studied. It is shown that the coupling coefficient between the waveguides, which are non-nearest neighbours, has a significant effect on the instability of the waves in question. When the coupling coefficient exceeds a certain threshold, the modulation instability disappears regardless of the radiation power. The influence of the ratio of the wave amplitudes in adjacent waveguides to the instability of the particular solutions is studied. Different variants of the nonlinear response in waveguides are considered. The studies performed present a new unusual type of the modulation instability in nonlinear periodic systems. (metamaterials)

  18. Large spin-filtering effect in Ti-doped defective zigzag graphene nanoribbon.

    PubMed

    Tawfik, Sherif Abdulkader; Cui, X Y; Ringer, S P; Stampfl, C

    2016-06-28

    Through first-principles calculations using the nonequilibrium Green's function formalism together with density functional theory, we study the conductance of double-vacancy zigzag graphene nanoribbons doped with four transition metal atoms Ti, V, Cr and Fe. We show that Ti doping induces large spin-filtering with an efficiency in excess of 90% for bias voltages below 0.5 V, while the other metal adatoms do not induce large spin filtering. This is despite the fact that the Ti dopant possesses small spin moment, while large moments reside on V, Cr and Fe dopants. Our analysis shows that the suppression of transmission in the spin-down channel in the Ti-doped graphene nanoribbon, thus the large spin filtering efficiency, is due to transmission anti-resonance arising from destructive quantum interference. These findings suggest that the decoration of graphene with titanium, and possibly other transition metals, can act as effective spin filters for nanospintronic applications. PMID:27252042

  19. Phase ordering of zig-zag and bow-shaped hard needles in two dimensions

    NASA Astrophysics Data System (ADS)

    Tavarone, Raffaele; Charbonneau, Patrick; Stark, Holger

    2015-09-01

    We perform extensive Monte Carlo simulations of a two-dimensional bent hard-needle model in both its chiral zig-zag and its achiral bow-shape configurations and present their phase diagrams. We find evidence for a variety of stable phases: isotropic, quasi-nematic, smectic-C, anti-ferromorphic smectic-A, and modulated-nematic. This last phase consists of layers formed by supramolecular arches. They create a modulation of the molecular polarity whose period is sensitively controlled by molecular geometry. We identify transition densities using correlation functions together with appropriately defined order parameters and compare them with predictions from Onsager theory. The contribution of the molecular excluded area to deviations from Onsager theory and simple liquid crystal phase morphology is discussed. We demonstrate the isotropic-quasi-nematic transition to be consistent with a Kosterlitz-Thouless disclination unbinding scenario.

  20. Room-temperature magnetism on the zigzag edges of phosphorene nanoribbons

    NASA Astrophysics Data System (ADS)

    Yang, Guang; Xu, Shenglong; Zhang, Wei; Ma, Tianxing; Wu, Congjun

    2016-08-01

    Searching for room-temperature ferromagnetic semiconductors has evolved into a broad field of material science and spintronics for decades, nevertheless, these novel states remain rare. Phosphorene, a monolayer black phosphorus with a puckered honeycomb lattice structure possessing a finite band gap and high carrier mobility, has been synthesized recently. Here we show, by means of two different large-scale quantum Monte Carlo methods, that relatively weak interactions can lead to remarkable edge magnetism in the phosphorene nanoribbons. The ground state constrained path quantum Monte Carlo simulations reveal strong ferromagnetic correlations along the zigzag edges, and the finite temperature determinant quantum Monte Carlo calculations show a high Curie temperature up to room temperature.

  1. Zigzag-edge related ferromagnetism in MoSe2 nanoflakes.

    PubMed

    Xia, Baorui; Gao, Daqiang; Liu, Peitao; Liu, Yonggang; Shi, Shoupeng; Tao, Kun

    2015-12-28

    Outstanding magnetic properties are highly desired for two-dimensional ultrathin semiconductor nanosheets for their potential applications in nano-electronics and spintronics. Here, ultrathin MoSe2 nanoflakes with plenty of edges were prepared via an efficient chemical vapor deposition method. The magnetic measurement results indicate that the sample exhibits strong ferromagnetic behaviour with a saturation magnetization of 1.4 emu g(-1) at room temperature, where the ferromagnetism persists up to 700 K, revealing the high Curie temperature of this material. Density functional theory spin-polarized calculations predict that strong ferromagnetic moments in MoSe2 nanoflakes are attributed to the zigzag edges. Our findings also suggest that the MoSe2 nanoflakes with a high density of edge spins could be used to fabricate spintronic devices, which are circuits utilizing the spin of the electron to process and store information. PMID:26593054

  2. Enhancement of thermoelectric efficiency by embedding hexagonal boron-nitride cells in zigzag graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Izadi Vishkayi, Sahar; Bagheri Tagani, Meysam; Rahimpour Soleimani, Hamid

    2015-06-01

    We study thermoelectric properties of zigzag graphene nanoribbon (ZGNR)-boron nitride (BN) junctions coupled to square electrodes using nonequilibrium Green function formalism in the linear response regime. The embedding of hexagonal BN cells into the ZGNR results in the change of the thermoelectric properties with the length and position of BN cells. The influence of the width variation on the electrical conductance and the Seebeck coefficient of the ZGNR-BN junctions is examined. Also, the coupling of asymmetric electrodes to the ZGNR-BN junctions and the pristine ZGNR is considered. It is observed that the asymmetric electrodes lead to the increase of the Seebeck coefficients of both structures, while the phonon thermal conductance is decreased because of the reduction of the phonon transport in inhomogeneous structures. Our results predict that the thermoelectric efficiency of the system is increased by embedding the hexagonal BN cells, as well as coupling to the asymmetric electrodes.

  3. Zigzag Connected Autotransformer-Based 24-pulse AC-DC Converter

    NASA Astrophysics Data System (ADS)

    Xiao-qiang, Chen; Hao, Qiu

    2015-02-01

    In this paper, a zigzag connected autotransformer-based 24-pulse AC-DC converter is designed, modeled and simulated to feed direct torque controlled induction motor drives. Winding arrangements and parameters of the autotransformer and interphase reactor are given. Moreover, the design procedure of the autotransformer is modified to make it suitable for retrofit applications. Simulation results indicate that the system is capable of eliminating up to 21st harmonics in the ac mains current. The effect of load variation and load character is also studied to demonstrate the performance and effectiveness of the proposed 24-pulse converters. A set of power quality indices at ac mains and dc side are presented to compare the performance of 6-, 12- and 24-pulse converters.

  4. Non-equilibrium tunneling in zigzag graphene nanoribbon break-junction results in spin filtering

    NASA Astrophysics Data System (ADS)

    Jiang, Liming; Qiu, Wanzhi; Sharafat Hossain, Md; Al-Dirini, Feras; Evans, Robin; Skafidas, Efstratios

    2016-02-01

    Spintronic devices promise new faster and lower energy-consumption electronic systems. Graphene, a versatile material and candidate for next generation electronics, is known to possess interesting spintronic properties. In this paper, by utilizing density functional theory and non-equilibrium green function formalism, we show that Fano resonance can be generated by introducing a break junction in a zigzag graphene nanoribbon (ZGNR). Using this effect, we propose a new spin filtering device that can be used for spin injection. Our theoretical results indicate that the proposed device could achieve high spin filtering efficiency (over 90%) at practical fabrication geometries. Furthermore, our results indicate that the ZGNR break junction lattice configuration can dramatically affect spin filtering efficiency and thus needs to be considered when fabricating real devices. Our device can be fabricated on top of spin transport channel and provides good integration between spin injection and spin transport.

  5. Effects of edge magnetism on the Kohn anomalies of zigzag graphene nanoribbons.

    PubMed

    Culchac, F J; Capaz, Rodrigo B

    2016-02-12

    The effects of edge magnetism on the Kohn anomaly (KA) of the G-band phonons of zigzag graphene nanoribbons (ZGNRs) are studied using a combination of the tight-binding and mean-field Hubbard models. We show that the opening of an energy gap, induced by magnetic ordering, significantly changes the KA effects, particularly for narrow ribbons in which the gap is larger than the phonon energy. Therefore, the G-band phonon frequency and lifetime are altered for a magnetically-ordered edge state with respect to an unpolarized edge state. The effects of temperature, ZGNR width, doping and transverse electric fields are systematically investigated. We propose using this effect to probe the magnetic order of edge states in graphene nanoribbons using Raman spectroscopy. PMID:26762781

  6. Electronic states of zigzag graphene nanoribbons with edges reconstructed with topological defects

    NASA Astrophysics Data System (ADS)

    Pincak, R.; Smotlacha, J.; Osipov, V. A.

    2015-10-01

    The energy spectrum and electronic density of states (DOS) of zigzag graphene nanoribbons with edges reconstructed with topological defects are investigated within the tight-binding method. In case of the Stone-Wales zz(57) edge the low-energy spectrum is markedly changed in comparison to the pristine zz edge. We found that the electronic DOS at the Fermi level is different from zero at any width of graphene nanoribbons. In contrast, for ribbons with heptagons only at one side and pentagons at another one the energy gap at the Fermi level is open and the DOS is equal to zero. The reason is the influence of uncompensated topological charges on the localized edge states, which are topological in nature. This behavior is similar to that found for the structured external electric potentials along the edges.

  7. Modulational instability and zigzagging of dissipative solitons induced by delayed feedback

    NASA Astrophysics Data System (ADS)

    Puzyrev, D.; Vladimirov, A. G.; Gurevich, S. V.; Yanchuk, S.

    2016-04-01

    We report a destabilization mechanism of localized solutions in spatially extended systems which is induced by delayed feedback. Considering a model of a wide-aperture laser with a saturable absorber and delayed optical feedback, we demonstrate the appearance of multiple coexistent laser cavity solitons. We show that at large delays apart from the drift and phase instabilities the soliton can exhibit a delay-induced modulational instability associated with the translational neutral mode. The combination of drift and modulational instabilities produces a zigzagging motion of the solitons, which are either periodic, with the period close to the delay time, or chaotic, with low-frequency fluctuations in the direction of the soliton motion. The same type of modulational instability is demonstrated for localized solutions of the cubic-quintic complex Ginzburg-Landau equation.

  8. Tailoring graphene magnetism by zigzag triangular holes: A first-principles thermodynamics study

    DOE PAGESBeta

    Khan, Muhammad Ejaz; Zhang, P.; Sun, Yi -Yang; Zhang, S. B.; Kim, Yong -Hyun

    2016-03-30

    In this study, we discuss the thermodynamic stability and magnetic property of zigzag triangular holes (ZTHs) in graphene based on the results of first-principles density functional theory calculations. We find that ZTHs with hydrogen-passivated edges in mixed sp2/sp3 configurations (z211) could be readily available at experimental thermodynamic conditions, but ZTHs with 100% sp2 hydrogen-passivation (z1) could be limitedly available at high temperature and ultra-high vacuum conditions. Graphene magnetization near the ZTHs strongly depends on the type and the size of the triangles. While metallic z1 ZTHs exhibit characteristic edge magnetism due to the same-sublattice engineering, semiconducting z211 ZTHs do showmore » characteristic corner magnetism when the size is small < 2 nm. Our findings could be useful for experimentally tailoring metal-free carbon magnetism by simply fabricating triangular holes in graphene.« less

  9. Tailoring graphene magnetism by zigzag triangular holes: A first-principles thermodynamics study

    NASA Astrophysics Data System (ADS)

    Khan, Muhammad Ejaz; Zhang, P.; Sun, Yi-Yang; Zhang, S. B.; Kim, Yong-Hyun

    2016-03-01

    We discuss the thermodynamic stability and magnetic property of zigzag triangular holes (ZTHs) in graphene based on the results of first-principles density functional theory calculations. We find that ZTHs with hydrogen-passivated edges in mixed sp2/sp3 configurations (z211) could be readily available at experimental thermodynamic conditions, but ZTHs with 100% sp2 hydrogen-passivation (z1) could be limitedly available at high temperature and ultra-high vacuum conditions. Graphene magnetization near the ZTHs strongly depends on the type and the size of the triangles. While metallic z1 ZTHs exhibit characteristic edge magnetism due to the same-sublattice engineering, semiconducting z211 ZTHs do show characteristic corner magnetism when the size is small <2 nm. Our findings could be useful for experimentally tailoring metal-free carbon magnetism by simply fabricating triangular holes in graphene.

  10. Effect of edge modification on the zigzag BC2N nanoribbons

    NASA Astrophysics Data System (ADS)

    Xiao, Xiang; Li, Hong; Tie, Jun; Lu, Jing

    2016-08-01

    We use first principles calculations to investigate the effects of edge modification with nonmetal species on zigzag-edged BC2N nanoribbons (ZBC2NNRs). These ZBC2NNRs show either semiconducting or metallic behaviors depending on the edge modifications and ribbon widths. We find that the O-modification induces a ferromagnetic ground state with a metallic behavior for all the ribbon widths investigated. And when the ribbon width is more than 3.32 nm (NZ ⩾ 16), an antiferromagnetic ground state with a half-metallic behavior is realized in the H-passivated ZBC2NNRs. These versatile electronic properties render the ZBC2NNRs a promising candidate material in nanoelectronics and nanospintronics.

  11. Carbon Tetragons as Definitive Spin Switches in Narrow Zigzag Graphene Nanoribbons.

    PubMed

    Cui, Ping; Zhang, Qiang; Zhu, Hongbin; Li, Xiaoxia; Wang, Weiyi; Li, Qunxiang; Zeng, Changgan; Zhang, Zhenyu

    2016-01-15

    Precise spatial control of the spin propagation channels is of fundamental and practical importance in future graphene-based spintronic devices. Here we use first-principles calculations to show that when narrow zigzag graphene nanoribbons are connected to form junctions or superlattices, properly placed square-shaped carbon tetragons not only serve as effective bundles of the two incoming spin edge channels, but also act as definitive topological spin switches for the two outgoing channels. The nanoribbon segments are largely drawn from different acene molecules. We further show that such spin switches can lift the degeneracy between the two spin propagation channels, which enables tunability of different magnetic states upon charge doping. Preliminary experimental supports for the realization of such tetragons connecting nanoribbon segments are also presented. PMID:26824558

  12. Adsorption of Ti atoms on zigzag silicene nanoribbons: influence on electric, magnetic, and thermoelectric properties

    NASA Astrophysics Data System (ADS)

    Xu, Long; Wang, Xue-Feng; Zhou, Liping; Yang, Zhi-Yong

    2015-06-01

    We study the adsorption effects of Ti atoms on the physical properties of zigzag silicene nanoribbons using the density functional theory combined with the nonequilibrium Green’s function methods. The adsorption geometries, conductance spectra, current voltage curves, spin polarizations, magnetoresistance, and Seebeck coefficients are evaluated in different adsorption samples. Ti adatoms prefer sites inside the nanoribbons instead of on the edges. Two neighboring adatoms are attractively coupled and prefer being adsorbed on the same side. The giant magnetoresistance in nanoribbons of even width is usually greatly reduced, except in symmetric adsorption cases. Strong spin negative differential resistance phenomena can be observed and pure spin current can be produced by temperature gradient in specific cases.

  13. Localized states of a semi-infinite zigzag graphene sheet with impurity lines

    SciTech Connect

    Cunha, A. M. C.; Ahmed, Maher Z.; Cottam, M. G.; Filho, R. N. Costa

    2014-07-07

    The localized states of a semi-infinite zigzag graphene sheet are studied using a tight-binding model that allows for the inclusion of either one or two lines of impurities. These impurity lines of atoms are placed in rows labeled as n (n=1, 2, 3, …), where n=1 is the free edge. The localized defect modes associated with these impurities are studied analytically and numerically within a tridiagonal matrix formalism. For one impurity line, the modes are analyzed according to the position of that line on the sheet, whereas the modes for two impurities are studied also according to their separation and their positions relative to the edge. When an impurity line is located at the edge (n=1), it is found that the edge states are modified. When the impurities are positioned away from an edge (n>1), additional localized modes are found to occur that may be relatively flat in their dispersion.

  14. Computational study of molecular properties of aggregates of C 60 and (16, 0) zigzag nanotube

    NASA Astrophysics Data System (ADS)

    Witek, Henryk A.; Trzaskowski, Bartosz; Małolepsza, Edyta; Morokuma, Keiji; Adamowicz, Ludwik

    2007-09-01

    Molecular properties for two aggregates of C 60 and a (16, 0) zigzag nanotube: (a) C 60 encapsulated in the nanotube, (b) C 60 attached to the outer wall of the nanotube, are studied using the self-consistent charge density-functional tight-binding method with additional dispersion correction. The binding energy for the encapsulated fullerene is -108.3 kcal/mol and for the attached fullerene, only -20.3 kcal/mol. The harmonic vibrational frequencies of the aggregates are found to be almost identical to those obtained for the non-interacting system. Very small extent of the changes upon interaction may pose a challenge to study the aggregated structures using experimental spectroscopic methods.

  15. Nonlinear waves in an array of zigzag waveguides with alternating positive and negative refractive indices

    SciTech Connect

    Kazantseva, E V; Maimistov, A I

    2013-09-30

    Interaction of coupled waves propagating in a system of waveguides with alternating positive and negative refractive indices is studied theoretically. The zigzag configuration of the waveguides in the array allows communication not only between the nearest neighbours, but also with the waveguides beyond them. It is shown that the spectrum of linear waves in such a waveguide system has a bandgap. Partial solutions are found to the system of coupled waves corresponding to a stationary electromagnetic field pulse that propagates along the array of tunnel-coupled waveguides as a whole. Investigation of the interaction of nonlinear solitary waves has demonstrated numerically the stability of their relatively weak disturbances and collisions with each other. (nanogradient dielectric coatings and metamaterials)

  16. Phase diagram study of a dimerized spin-S zig-zag ladder

    NASA Astrophysics Data System (ADS)

    Matera, J. M.; Lamas, C. A.

    2014-08-01

    The phase diagram of a frustrated spin-S zig-zag ladder is studied through different numerical and analytical methods. We show that for arbitrary S, there is a family of Hamiltonians for which a fully-dimerized state is an exact ground state, being the Majumdar-Ghosh point for a particular member of the family. We show that the system presents a transition between a dimerized phase to a Néel-like phase for S = 1/2, and spiral phases can appear for large S. The phase diagram is characterized by means of a generalization of the usual mean field approximation. The novelty in the present implementation is to consider the strongest coupled sites as the unit cell. The gap and the excitation spectrum is analyzed through the random phase approximation. Also, a perturbative treatment to obtain the critical points is discussed. Comparisons of the results with numerical methods like the Density Matrix Renormalization Group are also presented.

  17. Width and defect effects on the electronic transport of zigzag MoS2 nanoribbons

    NASA Astrophysics Data System (ADS)

    An, Yipeng; Zhang, Mengjun; Da, Haixia; Fu, Zhaoming; Jiao, Zhaoyong; Liu, Zhiyong

    2016-06-01

    Using first-principles methods, we investigate the electronic transport properties of zigzag MoS2 nanoribbons (Z-MoS2NRs). The current–voltage (I–V) curves of Z-MoS2NRs show a negative differential resistive (NDR) effect, and are independent of nanoribbon width. The current flowing through the nanoribbon is mainly along the Mo-edge, with two different local current channels (Mo  →  Mo hop current and S  →  Mo  →  S bond current). The current will be suppressed when introducing a Mo vacancy-defect at the Mo-edge under low biases—while, under high biases, the current through the defected Z-MoS2NRs will increase a little, due to the other S-edge channel being opened.

  18. Experimental study of coarsening dynamics of the zigzag wall in a nematic liquid crystal with negative dielectric anisotropy.

    PubMed

    Nagaya, Tomoyuki; Gilli, Jean-Marc

    2002-05-01

    When a homeotropically aligned nematic liquid crystal cell is placed above two permanent magnets forming a magnetic quadrupole, a straight splay-bend wall, or a so-called Ising wall, is formed. With a material of positive dielectric anisotropy, it has been shown that the application of an electric field perpendicular to the plates leads to a zigzag instability of the wall, exclusively related to the elastic anisotropy of the liquid crystal. In this case, the coarsening process of the zigzag is very slow, which in turn leads to experimental difficulties concerning its quantitative investigation. If a material of negative dielectric anisotropy is used under an electric field with low voltage and low frequency, two convective rolls appear along the Ising wall due to the charge focusing effect, which is also responsible, at a higher voltage in the homogenous tilted regions, for the appearance of Williams domains electrohydrodynamic instability. If the voltage is higher than a threshold value, the straight Ising wall spontaneously breaks into a zigzag shape and a fast coarsening of the zigzag proceeds, associated with the annihilation of two neighboring vertices. In the present paper, the coarsening dynamics of this system, which can be considered as a one-dimensional Ising situation, are investigated experimentally. At late times, the average width of the zigzag increases logarithmically with time. This finding is consistent with the theory and also with the numerical simulation of a one-dimensional Cahn-Hilliard situation having a conserved order parameter. The scaling analysis of size distribution of the Ising domain, the shape of the power spectrum, and of the correlation function of the Ising order parameter, as well as the number density correlation functions of kinks also confirms that the dynamical scaling law predicted for one-dimensional conservative systems holds for the coarsening process. As supposed from symmetry arguments, it is confirmed that this

  19. Exact spin dynamics of inhomogeneous 1-d systems at high temperature

    NASA Astrophysics Data System (ADS)

    Danieli, E. P.; Pastawski, H. M.; Levstein, P. R.

    2002-07-01

    The evaluation of spin excitation dynamics in finite 1-d systems of spins {1}/{2} with XY exchange interaction J acquired new interest because NMR experiments at high temperature ( kBT≫ J) confirmed the predicted spin wave behavior of mesoscopic echoes. In this work, we use the Jordan-Wigner transformation to obtain the exact dynamics of inhomogeneous chains and rings where the evolution is reduced to one-body dynamics. For higher dimensions, the spin excitations manifest many-body effects that can be interpreted as a simple dynamics of non-interacting fermions plus a decoherent process.

  20. 1D Nanostructures: Controlled Fabrication and Energy Applications

    SciTech Connect

    Hu, Michael Z.

    2013-01-01

    Jian Wei, Xuchun Song, Chunli Yang, and Michael Z. Hu, 1D Nanostructures: Controlled Fabrication and Energy Applications, Journal of Nanomaterials, published special issue (http://www.hindawi.com/journals/jnm/si/197254/) (2013).

  1. 60. BOILER CHAMBER No. 1, D LOOP STEAM GENERATOR AND ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    60. BOILER CHAMBER No. 1, D LOOP STEAM GENERATOR AND MAIN COOLANT PUMP LOOKING NORTHEAST (LOCATION OOO) - Shippingport Atomic Power Station, On Ohio River, 25 miles Northwest of Pittsburgh, Shippingport, Beaver County, PA

  2. Interaction of environmental contaminants with zebrafish organic anion transporting polypeptide, Oatp1d1 (Slco1d1).

    PubMed

    Popovic, Marta; Zaja, Roko; Fent, Karl; Smital, Tvrtko

    2014-10-01

    Polyspecific transporters from the organic anion transporting polypeptide (OATP/Oatp) superfamily mediate the uptake of a wide range of compounds. In zebrafish, Oatp1d1 transports conjugated steroid hormones and cortisol. It is predominantly expressed in the liver, brain and testes. In this study we have characterized the transport of xenobiotics by the zebrafish Oatp1d1 transporter. We developed a novel assay for assessing Oatp1d1 interactors using the fluorescent probe Lucifer yellow and transient transfection in HEK293 cells. Our data showed that numerous environmental contaminants interact with zebrafish Oatp1d1. Oatp1d1 mediated the transport of diclofenac with very high affinity, followed by high affinity towards perfluorooctanesulfonic acid (PFOS), nonylphenol, gemfibrozil and 17α-ethinylestradiol; moderate affinity towards carbaryl, diazinon and caffeine; and low affinity towards metolachlor. Importantly, many environmental chemicals acted as strong inhibitors of Oatp1d1. A strong inhibition of Oatp1d1 transport activity was found by perfluorooctanoic acid (PFOA), chlorpyrifos-methyl, estrone (E1) and 17β-estradiol (E2), followed by moderate to low inhibition by diethyl phthalate, bisphenol A, 7-acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4 tetrahydronapthalene and clofibrate. In this study we identified Oatp1d1 as a first Solute Carrier (SLC) transporter involved in the transport of a wide range of xenobiotics in fish. Considering that Oatps in zebrafish have not been characterized before, our work on zebrafish Oatp1d1 offers important new insights on the understanding of uptake processes of environmental contaminants, and contributes to the better characterization of zebrafish as a model species. PMID:25088042

  3. TBC1D24 genotype–phenotype correlation

    PubMed Central

    Balestrini, Simona; Milh, Mathieu; Castiglioni, Claudia; Lüthy, Kevin; Finelli, Mattea J.; Verstreken, Patrik; Cardon, Aaron; Stražišar, Barbara Gnidovec; Holder, J. Lloyd; Lesca, Gaetan; Mancardi, Maria M.; Poulat, Anne L.; Repetto, Gabriela M.; Banka, Siddharth; Bilo, Leonilda; Birkeland, Laura E.; Bosch, Friedrich; Brockmann, Knut; Cross, J. Helen; Doummar, Diane; Félix, Temis M.; Giuliano, Fabienne; Hori, Mutsuki; Hüning, Irina; Kayserili, Hulia; Kini, Usha; Lees, Melissa M.; Meenakshi, Girish; Mewasingh, Leena; Pagnamenta, Alistair T.; Peluso, Silvio; Mey, Antje; Rice, Gregory M.; Rosenfeld, Jill A.; Taylor, Jenny C.; Troester, Matthew M.; Stanley, Christine M.; Ville, Dorothee; Walkiewicz, Magdalena; Falace, Antonio; Fassio, Anna; Lemke, Johannes R.; Biskup, Saskia; Tardif, Jessica; Ajeawung, Norbert F.; Tolun, Aslihan; Corbett, Mark; Gecz, Jozef; Afawi, Zaid; Howell, Katherine B.; Oliver, Karen L.; Berkovic, Samuel F.; Scheffer, Ingrid E.; de Falco, Fabrizio A.; Oliver, Peter L.; Striano, Pasquale; Zara, Federico

    2016-01-01

    Objective: To evaluate the phenotypic spectrum associated with mutations in TBC1D24. Methods: We acquired new clinical, EEG, and neuroimaging data of 11 previously unreported and 37 published patients. TBC1D24 mutations, identified through various sequencing methods, can be found online (http://lovd.nl/TBC1D24). Results: Forty-eight patients were included (28 men, 20 women, average age 21 years) from 30 independent families. Eighteen patients (38%) had myoclonic epilepsies. The other patients carried diagnoses of focal (25%), multifocal (2%), generalized (4%), and unclassified epilepsy (6%), and early-onset epileptic encephalopathy (25%). Most patients had drug-resistant epilepsy. We detail EEG, neuroimaging, developmental, and cognitive features, treatment responsiveness, and physical examination. In silico evaluation revealed 7 different highly conserved motifs, with the most common pathogenic mutation located in the first. Neuronal outgrowth assays showed that some TBC1D24 mutations, associated with the most severe TBC1D24-associated disorders, are not necessarily the most disruptive to this gene function. Conclusions: TBC1D24-related epilepsy syndromes show marked phenotypic pleiotropy, with multisystem involvement and severity spectrum ranging from isolated deafness (not studied here), benign myoclonic epilepsy restricted to childhood with complete seizure control and normal intellect, to early-onset epileptic encephalopathy with severe developmental delay and early death. There is no distinct correlation with mutation type or location yet, but patterns are emerging. Given the phenotypic breadth observed, TBC1D24 mutation screening is indicated in a wide variety of epilepsies. A TBC1D24 consortium was formed to develop further research on this gene and its associated phenotypes. PMID:27281533

  4. Dimensional phase transition from 1D behavior to a 3D Bose-Einstein condensate

    NASA Astrophysics Data System (ADS)

    Pelster, Axel; Morath, Denis; Straßel, Dominik; Eggert, Sebastian

    The emergence of new properties from low-dimensional building blocks is a universal theme in different areas in physics. The investigation of transitions between isolated and coupled low-dimensional systems promises to reveal new phenomena and exotic phases. Interacting 1D bosons, which are coupled in a two-dimensional array, are maybe the most fundamental example of a system which illustrates the concept of a dimensional phase transition. However, recent experiments using ultracold gases have shown a surprising discrepancy between theory and experiment and it is far from obvious if the power laws from the underlying 1D theory can predict the transition temperature and order parameter correctly for all interaction strengths. Using a combination of large-scale Quantum Monte-Carlo simulations and chain mean-field calculations, we show that the behavior of the ordering temperature as a function of inter-chain coupling strength does not follow a universal powerlaw, but also depends strongly on the filling

  5. Direct Observation of Chiral Topological Solitons in 1D Charge-Density Waves

    NASA Astrophysics Data System (ADS)

    Kim, Tae-Hwan; Cheon, Sangmo; Lee, Sung-Hoon; Yeom, Han Woong

    2015-03-01

    Macroscopic and classical solitons are easily and ubiquitously found, from tsunami to blood pressure pulses, but those in microscopic scale are hard to observe. While the existence of such topological solitons were predicted theoretically and evidenced indirectly by the transport and infrared spectroscopy measurements, the direct observation has been hampered by their high mobility and small dimension. In this talk, we show direct observation of topological solitons in the quasi-1D charge-density wave (CDW) ground state of indium atomic wires, which are consisting of interacting double Peierls chains. Such solitons exhibit a characteristic spatial variation of the CDW amplitudes as expected from the electronic structure. Furthermore, these solitons have an exotic hidden topology originated by topologically different 4-fold degenerate CDW ground states. Their exotic topology leads to the chirality of 1D topological solitons through interaction between two solitons in the double Peierls chains. Detailed scanning tunneling microscopy and spectroscopy reveal their chiral nature at the atomic scale. This work paves the avenue toward the microscopic exploitation of the peculiar properties of nanoscale chiral solitons.

  6. 1D self-assembly of chemisorbed thymine on Cu(110) driven by dispersion forces.

    PubMed

    Temprano, I; Thomas, G; Haq, S; Dyer, M S; Latter, E G; Darling, G R; Uvdal, P; Raval, R

    2015-03-14

    Adsorption of thymine on a defined Cu(110) surface was studied using reflection-absorption infrared spectroscopy (RAIRS), temperature programmed desorption (TPD), and scanning tunnelling microscopy (STM). In addition, density functional theory (DFT) calculations were undertaken in order to further understand the energetics of adsorption and self-assembly. The combination of RAIRS, TPD, and DFT results indicates that an upright, three-point-bonded adsorption configuration is adopted by the deprotonated thymine at room temperature. DFT calculations show that the upright configuration adopted by individual molecules arises as a direct result of strong O-Cu and N-Cu bonds between the molecule and the surface. STM data reveal that this upright thymine motif self-assembles into 1D chains, which are surprisingly oriented along the open-packed [001] direction of the metal surface and orthogonal to the alignment of the functional groups that are normally implicated in H-bonding interactions. DFT modelling of this system reveals that the molecular organisation is actually driven by dispersion interactions, which cause a slight tilt of the molecule and provide the major driving force for assembly into dimers and 1D chains. The relative orientations and distances of neighbouring molecules are amenable for π-π stacking, suggesting that this is an important contributor in the self-assembly process. PMID:25770505

  7. 1D self-assembly of chemisorbed thymine on Cu(110) driven by dispersion forces

    NASA Astrophysics Data System (ADS)

    Temprano, I.; Thomas, G.; Haq, S.; Dyer, M. S.; Latter, E. G.; Darling, G. R.; Uvdal, P.; Raval, R.

    2015-03-01

    Adsorption of thymine on a defined Cu(110) surface was studied using reflection-absorption infrared spectroscopy (RAIRS), temperature programmed desorption (TPD), and scanning tunnelling microscopy (STM). In addition, density functional theory (DFT) calculations were undertaken in order to further understand the energetics of adsorption and self-assembly. The combination of RAIRS, TPD, and DFT results indicates that an upright, three-point-bonded adsorption configuration is adopted by the deprotonated thymine at room temperature. DFT calculations show that the upright configuration adopted by individual molecules arises as a direct result of strong O-Cu and N-Cu bonds between the molecule and the surface. STM data reveal that this upright thymine motif self-assembles into 1D chains, which are surprisingly oriented along the open-packed [001] direction of the metal surface and orthogonal to the alignment of the functional groups that are normally implicated in H-bonding interactions. DFT modelling of this system reveals that the molecular organisation is actually driven by dispersion interactions, which cause a slight tilt of the molecule and provide the major driving force for assembly into dimers and 1D chains. The relative orientations and distances of neighbouring molecules are amenable for π-π stacking, suggesting that this is an important contributor in the self-assembly process.

  8. Polar discontinuities and 1D interfaces in monolayered materials

    NASA Astrophysics Data System (ADS)

    Martinez-Gordillo, Rafael; Pruneda, Miguel

    2015-12-01

    Interfaces are the birthplace of a multitude of fascinating discoveries in fundamental science, and have enabled modern electronic devices, from transistors, to lasers, capacitors or solar cells. These interfaces between bulk materials are always bi-dimensional (2D) 'surfaces'. However the advent of graphene and other 2D crystals opened up a world of possibilities, as in this case the interfaces become one-dimensional (1D) lines. Although the properties of 1D nanoribbons have been extensively discussed in the last few years, 1D interfaces within infinite 2D systems had remained mostly unexplored until very recently. These include grain boundaries in polycrystalline samples, or interfaces in hybrid 2D sheets composed by segregated domains of different materials (as for example graphene/BN hybrids, or chemically different transition metal dichalcogenides). As for their 2D counterparts, some of these 1D interfaces exhibit polar characteristics, and can give rise to fascinating new physical properties. Here, recent experimental discoveries and theoretical predictions on the polar discontinuities that arise at these 1D interfaces will be reviewed, and the perspectives of this new research topic, discussed.

  9. Probing 1D super-strongly correlated dipolar quantum gases

    NASA Astrophysics Data System (ADS)

    Citro, R.; de Palo, S.; Orignac, E.; Pedri, P.; Chiofalo, M.-L.

    2009-04-01

    One-dimensional (1D) dipolar quantum gases are characterized by a very special condition where super-strong correlations occur to significantly affect the static and dynamical low-energy behavior. This behavior is accurately described by the Luttinger Liquid theory with parameter K < 1. Dipolar Bose gases are routinely studied in laboratory with Chromium atoms. On the other hand, 1D realizations with molecular quantum gases can be at reach of current experimental expertises, allowing to explore such extreme quantum degenerate conditions which are the bottom line for designing technological devices. Aim of the present contribution is to focus on the possible probes expected to signal the reach of Luttinger-Liquid behavior in 1D dipolar gases.

  10. PC-1D installation manual and user's guide

    SciTech Connect

    Basore, P.A.

    1991-05-01

    PC-1D is a software package for personal computers that uses finite-element analysis to solve the fully-coupled two-carrier semiconductor transport equations in one dimension. This program is particularly useful for analyzing the performance of optoelectronic devices such as solar cells, but can be applied to any bipolar device whose carrier flows are primarily one-dimensional. This User's Guide provides the information necessary to install PC-1D, define a problem for solution, solve the problem, and examine the results. Example problems are presented which illustrate these steps. The physical models and numerical methods utilized are presented in detail. This document supports version 3.1 of PC-1D, which incorporates faster numerical algorithms with better convergence properties than previous versions of the program. 51 refs., 17 figs., 5 tabs.

  11. The GIRAFFE Archive: 1D and 3D Spectra

    NASA Astrophysics Data System (ADS)

    Royer, F.; Jégouzo, I.; Tajahmady, F.; Normand, J.; Chilingarian, I.

    2013-10-01

    The GIRAFFE Archive (http://giraffe-archive.obspm.fr) contains the reduced spectra observed with the intermediate and high resolution multi-fiber spectrograph installed at VLT/UT2 (ESO). In its multi-object configuration and the different integral field unit configurations, GIRAFFE produces 1D spectra and 3D spectra. We present here the status of the archive and the different functionalities to select and download both 1D and 3D data products, as well as the present content. The two collections are available in the VO: the 1D spectra (summed in the case of integral field observations) and the 3D field observations. These latter products can be explored using the VO Paris Euro3D Client (http://voplus.obspm.fr/ chil/Euro3D).

  12. Nanodamage and Nanofailure of 1d Zno Nanomaterials and Nanodevices

    NASA Astrophysics Data System (ADS)

    Li, Peifeng; Yang, Ya; Huang, Yunhua; Zhang, Yue

    2012-08-01

    One-dimensional (1D) ZnO nanomaterials include nanowires, nanobelts, and nanorods etc. The extensive applied fields and excellent properties of 1D ZnO nanomaterials can meet the requests of the electronic and electromechanical devices for "smaller, faster and colder", and would be applied in new energy convention, environmental protection, information science and technology, biomedical, security and defense fields. While micro porous, etching pits nanodamage and brittle fracture, dissolving, functional failure nanofailure phenomena of 1D ZnO nanomaterials and nanodevices are observed in some practical working environments like illumination, currents or electric fields, external forces, and some chemical gases or solvents. The more important thing is to discuss the mechanism and reduce or prohibit their generation.

  13. Resonant indirect exchange in 1D semiconductor nanostructures

    NASA Astrophysics Data System (ADS)

    Rozhansky, I. V.; Krainov, I. V.; Averkiev, N. S.; Lähderanta, E.

    2015-06-01

    We consider resonant indirect exchange interaction between magnetic centers in 1D nanostructures. The magnetic centers are assumed to be coupled to the 1D conducting channel by the quantum tunneling which can be of resonant character. The indirect exchange between the centers is mediated by the free carriers of the channel. The two cases of quadratic and linear energy dispersion of the 1D free carriers are considered. The former case is attributed to conventional semiconductor (InGaAs based to be concrete) nanowires or nanowhiskers, while the latter case is associated with carbon nanotubes with magnetic adatoms. We demonstrate that whenever the energy of a bound state at the magnetic center lies within the continuum energy spectra of the delocalized carriers in the channel the indirect exchange is strongly enhanced due to effective tunnel hybridization of the bound states with the continuum.

  14. Disappearance of 2D Magnetic Character in Quasi-1D System CoNb2O6 under Magnetic Field

    NASA Astrophysics Data System (ADS)

    Mitsuda, Setsuo; Kobayashi, Satoru; Katagiri, Kouji; Yoshizawa, Hideki; Ishikawa, Masayasu; Miyatani, Kazuo; Kohn, Kay

    1995-07-01

    We report neutron scattering as well as ac susceptibility studies on the formation of magnetic ordering in a quasi-1D ferromagnetic chain system CoNb2O6 in magnetic fields up to 600 Oe. At T=1.5 K, a noncollinear ferrimagnetic (FR) phase with up-up-down spin arrangement along the b axis is field-induced in the magnetic field above ˜300 Oe. Interestingly, the pronounced 2D magnetic character previously found in the noncollinear antiferromagnetic phase disappears in the FR phase. This is direct evidence that the 2D magnetic character is due to the cancellation of interchain exchange fields at an apex site of a 2D isosceles-triangular lattice where quasi-1D ferromagnetic chains lie.

  15. Oscillators based on double-walled armchair@zigzag carbon nanotubes containing inner tubes with different helical rises.

    PubMed

    Zeng, Yong-Hui; Jiang, Wu-Gui; Qin, Qing H

    2016-03-01

    A novel approach is presented to improve the oscillatory behavior of oscillators based on double-walled carbon nanotubes containing rotating inner tubes applied with different helical rises. The influence of the helical rise on the oscillatory amplitude, frequency, and stability of inner tubes with different helical rises in armchair@zigzag bitubes is investigated using the molecular dynamics method. Our simulated results show that the oscillatory behavior is very sensitive to the applied helical rise. The inner tube with h = 10 Å has the most ideal hexagon after the energy minimization and NVT process in the armchair@zigzag bitubes, superior even to the inner tube without a helical rise, and thus it exhibits better oscillatory behavior compared with other modes. Therefore, we can apply an appropriate helical rise on the inner tube to produce a stable and smooth oscillator based on double-walled carbon nanotubes. PMID:26855175

  16. Tuning Magnetism and Electronic Phase Transitions by Strain and Electric Field in Zigzag MoS2 Nanoribbons.

    PubMed

    Kou, Liangzhi; Tang, Chun; Zhang, Yi; Heine, Thomas; Chen, Changfeng; Frauenheim, Thomas

    2012-10-18

    Effective modulation of physical properties via external control may open various potential nanoelectronic applications of single-layer MoS2 nanoribbons (MoS2NRs). We show by first-principles calculations that the magnetic and electronic properties of zigzag MoS2NRs exhibit sensitive response to applied strain and electric field. Tensile strain in the zigzag direction produces reversible modulation of magnetic moments and electronic phase transitions among metallic, half-metallic, and semiconducting states, which stem from the energy-level shifts induced by an internal electric polarization and the competing covalent/ionic interactions. A simultaneously applied electric field further enhances or suppresses the strain-induced modulations depending on the direction of the electric field relative to the internal polarization. These findings suggest a robust and efficient approach to modulating the properties of MoS2NRs by a combination of strain engineering and electric field tuning. PMID:26292229

  17. GIS-BASED 1-D DIFFUSIVE WAVE OVERLAND FLOW MODEL

    SciTech Connect

    KALYANAPU, ALFRED; MCPHERSON, TIMOTHY N.; BURIAN, STEVEN J.

    2007-01-17

    This paper presents a GIS-based 1-d distributed overland flow model and summarizes an application to simulate a flood event. The model estimates infiltration using the Green-Ampt approach and routes excess rainfall using the 1-d diffusive wave approximation. The model was designed to use readily available topographic, soils, and land use/land cover data and rainfall predictions from a meteorological model. An assessment of model performance was performed for a small catchment and a large watershed, both in urban environments. Simulated runoff hydrographs were compared to observations for a selected set of validation events. Results confirmed the model provides reasonable predictions in a short period of time.

  18. Valley-valve effect and even-odd chain parity in p-n graphene junctions

    NASA Astrophysics Data System (ADS)

    Cresti, Alessandro; Grosso, Giuseppe; Parravicini, Giuseppe Pastori

    2008-06-01

    We address the current blocking by a p-n junction in a zigzag graphene ribbon by means of numerical and analytic investigations. Ribbons with superimposed gate potentials perfectly block the current in the energy range, where a single energy band is active in both the n and the p regions, if the number of carbon chains is even. In the same conditions, an odd number of chains allows current transmission. We interpret this even-odd valley-valve effect in terms of the underlying honeycomb topology and crystal structure symmetry.

  19. Designing of spin-filtering devices in zigzag graphene nanoribbons heterojunctions by asymmetric hydrogenation and B-N doping

    SciTech Connect

    Zhang, Dan; Zhang, Xiaojiao; Ouyang, Fangping; Li, Mingjun; Xu, Hui; Long, Mengqiu

    2015-01-07

    Using nonequilibrium Green's function in combination with the spin-polarized density functional theory, the spin-dependent transport properties of boron and nitrogen doped zigzag graphene nanoribbons (ZGNRs) heterojunctions with single or double edge-saturated hydrogen have been investigated. Our results show that the perfect spin-filtering effect (100%), rectifying behavior and negative differential resistance can be realized in the ZGNRs-based systems. And the corresponding physical analysis has been given.

  20. Electronic and magnetic properties of zigzag silicene nanoribbons with Stone–Wales defects

    SciTech Connect

    Dong, Haixia; Fang, Dangqi; Gong, Baihua; Zhang, Yang; Zhang, Erhu; Zhang, Shengli

    2015-02-14

    The structural, electronic, and magnetic properties of zigzag silicene nanoribbons (ZSiNRs) with Stone–Wales (SW) defects were investigated using first-principles calculations. We found that two types of SW defects (named SW-Ι and SW-ΙΙ) exist in ZSiNRs. The SW defect was found to be the most stable at the edge of the ZSiNR, independently of the defect orientation, even more stable than it is in an infinite silicene sheet. In addition, the ZSiNRs can transition from semiconductor to metal or half-metal by modifying the SW defect location and concentration. For the same defect concentration, the band structures influenced by the SW-Ι defect are more distinct than those influenced by the SW-ΙΙ when the SW defect is at the edge. The present study suggests the possibility of tuning the electronic properties of ZSiNRs using the SW defects and might motivate their potential application in nanoelectronics and spintronics.

  1. Edge Magnetism and Quantum Spin Hall Effect in Zigzag Graphene Nanoribbon

    NASA Astrophysics Data System (ADS)

    Rhim, Jun-Won; Moon, Kyungsun

    2013-06-01

    We present here a brief review on the remarkable consequences of the flat bands formed at the edges of the Zigzag graphene nanoribbon (ZGNR). The inclusion of the on-site Coulomb interaction is shown to induce the edge spin ferromagnetism, whose spin stiffness demonstrates a nonmonotonic dependence on the lateral electric field. The critical electric field strength corresponds to that of the insulator to half-metal transition. The inclusion of the spin-orbit coupling (SOC) has been believed to generate the quantum spin Hall effect (QSHE) guiding into the interesting new field of topological insulator. By carefully investigating the SOC near the edge, we have shown that the additional σ-edge band gives a marginal perturbation and hence the existence of the QSHE depends on the coupling strength between the π-edge bands and the σ-edge band. We demonstrate that for the charge neutral ZGNR, the QSHE does not occur in the pristine ZGNR, while the hydrogen passivation along the edge may recover the expected feature of the QSHE.

  2. Pure and carbon-doped boron phosphide (6,0) zigzag nanotube: A computational NMR study

    NASA Astrophysics Data System (ADS)

    Arshadi, S.; Bekhradnia, A. R.; Alipour, F.; Abedini, S.

    2015-11-01

    Calculations were performed for investigation of the properties of the electronic structure of Carbon- Doped Boron Phosphide Nanotube (CDBPNT). Pristine and three models of C-doped structures of (6,0) zigzag BPNT were studied at density functional theory (DFT) in combination with 6-311G* basis set using Gaussian package of program. The calculated parameters reveal that various 11B and 31P nuclei are divided into some layers with equivalent electrostatic properties. The electronic structure properties are highly influenced by replacement of 11B and 31P atoms by 12C atoms in pristine model. Furthermore, the HOMO-LUMO gap energy for suggested doped models (I), (II) and (III) were lower than pure BPNT pristine systems. The dipole moment values of models (II) and (III) were decreased to 1.788 and 1.789, respectively while the dipole moments of model (I) were enhanced to 4.373, in compare to pure pristine one (2.586). The magnitude of changes in Chemical Shielding (CS) tensor parameters revealed that the electron density at the site of 31P was higher than that at the site of 11B due to carbon doping.

  3. Properties of nano-graphite ribbons with zigzag edges - Difference between odd and even legs

    NASA Astrophysics Data System (ADS)

    Yoshioka, H.; Higashibata, S.

    2009-02-01

    Persistent currents and transport properties are investigated for the nano-graphite ribbons with zigzag shaped edges with paying attention to system length L dependence. It is found that both the persistent current in the isolated ring and the conductance of the system connected to the perfect leads show the remarkable L dependences. In addition, the dependences for the systems with odd legs and those with even legs are different from each other. On the persistent current, the amplitude for the cases with odd legs shows power-low behavior as L-N with N being the number of legs, whereas the maximum of it decreases exponentially for the cases with even legs. The conductance per one spin normalized by e2/h behaves as follows. In the even legs cases, it decays as L-2, whereas it reaches to unity for L→∞ in the odd legs cases. Thus, the material is shown to have a remarkable property that there is the qualitative difference between the systems with odd legs and those with even legs even in the absence of the electron-electron interaction.

  4. Magnetism and transport properties of zigzag graphene nanoribbons/hexagonal boron nitride heterostructures

    SciTech Connect

    Ilyasov, V. V. E-mail: chuongnguyen11@gmail.com; Meshi, B. C.; Nguyen, V. C. E-mail: chuongnguyen11@gmail.com; Ershov, I. V.; Nguyen, D. C.

    2014-02-07

    Results of ab initio study of magnetism and transport properties of charge carriers in zigzag graphene nanoribbons (ZGNR) on hexagonal boron nitride (h-BN(0001)) substrate are presented within the density functional theory framework. Peculiarities of the interface band structure and its role in the formation of magnetism and transport properties of the ZGNR/h-BN(0001) heterostructure have been studied using two different density functional approximations. The effect of the substrate and graphene nanoribbons width on the low-energy spectrum of π-electrons, local magnetic moments on atoms of interface, and charge carriers mobility in the ZGNR/h-BN(0001) heterostructures have been established for the first time. The regularity consisting in the charge carrier mobility growth with decrease of dimers number in nanoribbon was also established. It is found that the charge carriers mobility in the N-ZGNR/h-BN(0001) (N—number of carbon (C) dimers) heterostructures is 5% higher than in freestanding ZGNR.

  5. Electric-field-induced Spontaneous Magnetization and Phase Transitions in Zigzag Boron Nitride Nanotubes

    PubMed Central

    Bai, Lang; Gu, Gangxu; Xiang, Gang; Zhang, Xi

    2015-01-01

    We demonstrate an alternative scheme for realizing spin polarizations in semiconductor nanostructures by an all-electric way. The electronic and magnetic properties of the model system, zigzag pristine boron nitride nanotubes (BNNTs), are investigated under a transverse electric field (E) through spin-polarized density functional theory calculations. As E increases, the band gap of BNNTs is reduced due to charge redistribution induced by the asymmetry of electrostatic potential energy, and BNNTs experience rich phase transitions, such as semiconductor-metal transition and nonmagnetic (NM) metal-ferromagnetic (FM) metal transitions. Electric-field-induced magnetization occurs when a sufficiently high density of states at the Fermi level in the vicinity of metal-insulator transition is reached due to the redistribution of electronic bands and charge transferring across the BNNTs. Further analysis show that the spontaneous magnetization is derived from the localized nature of the 2p states of B and N, and the ferromagnetic coupling is stabilized by Zener’s double-exchange mechanism. Our results may provide a viable way to realize spintronic devices for applications. PMID:26206393

  6. Zigzag nanoribbons of two-dimensional silicene-like crystals: magnetic, topological and thermoelectric properties

    NASA Astrophysics Data System (ADS)

    Wierzbicki, Michał; Barnaś, Józef; Swirkowicz, Renata

    2015-12-01

    The effects of electron-electron and spin-orbit interactions on the ground-state magnetic configuration and on the corresponding thermoelectric and spin thermoelectric properties in zigzag nanoribbons of two-dimensional hexagonal crystals are analysed theoretically. The thermoelectric properties of quasi-stable magnetic states are also considered. Of particular interest is the influence of Coulomb and spin-orbit interactions on the topological edge states and on the transition between the topological insulator and conventional gap insulator states. It is shown that the interplay of both interactions also has a significant impact on the transport and thermoelectric characteristics of the nanoribbons. The spin-orbit interaction also determines the in-plane magnetic easy axis. The thermoelectric properties of nanoribbons with in-plane magnetic moments are compared to those of nanoribbons with edge magnetic moments oriented perpendicularly to their plane. Nanoribbons with ferromagnetic alignment of the edge moments are shown to reveal spin thermoelectricity in addition to the conventional one.

  7. Preserving the Edge Magnetism of Zigzag Graphene Nanoribbons by Ethylene Termination: Insight by Clar's Rule

    PubMed Central

    Li, Yafei; Zhou, Zhen; Cabrera, Carlos R.; Chen, Zhongfang

    2013-01-01

    By means of density functional theory computations, we demonstrated that C2H4 is the ideal terminal group for zigzag graphene nanoribbons (zGNRs) in terms of preserving the edge magnetism with experimental feasibility. The C2H4 terminated zGNRs (C2H4-zGNRs) with pure sp2 coordinated edges can be stabilized at rather mild experimental conditions, and meanwhile reproduce the electronic and magnetic properties of those hydrogen terminated zGNRs. Interestingly, the electronic structures and relative stability of C2H4-zGNRs with different edge configurations can be well interpreted by employing the Clar's rule. The multiple edge hyperconjugation interactions are responsible for the enhanced stability of the sp2 coordinated edges of C2H4-zGNRs. Moreover, we demonstrated that even pure sp2 termination is not a guarantee for edge magnetism, for example, C2H2 termination can couple to the π-electron system of zGNRs, and destroy the magnetism. Our studies would pave the way for the application of zGNRs in spintronics. PMID:23778381

  8. Magneto-induced tunability of thermo-spin current in deformed zigzag graphene nanoribbons

    SciTech Connect

    Adinehloo, Davoud Fathipour, Morteza

    2015-12-21

    The aim of this report is to unfold how the thermo-electric spin-polarized current in a transverse-biased zigzag graphene nanoribbon changes in the presence of uniaxial deformations and uniform perpendicular magnetic field. Employing the two-parameter Hubbard model along with the non-equilibrium Green's function formalism, we found that both uniaxial strain and magnetic field can significantly modulate the bandgap, local distribution of edge states, and the critical transverse electric field needed to achieve the half-metallic phase in the ribbon. Our analysis shows a significant enhancement of the maximum attainable spin-polarized current as functions of both source temperature and contacts temperature difference, with increasing the magnetic field or applying any magnitude of compressive strain. Furthermore, it is shown that the magneto-resistance ratio of the device, can be drastically tuned via strain engineering, reaching values as high as 2 × 10{sup 4}% for compressive strains of 5% magnitude.

  9. Finite-width effects for the localized edge modes in zigzag graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Akbari-Sharbaf, Arash; Cottam, Michael G.

    2016-06-01

    A matrix formalism is used to derive the analytical Green's functions describing correlations between any two atomic sites on a zigzag (ZZ) graphene nanoribbon, incorporating modified electronic hopping values between edge sites that may be distinct from the hopping between interior sites. An analysis of the poles of our Green's functions shows two distinct types of localized edge modes in the electronic spectrum. The first of these, the "zero" mode, is a topologically induced mode arising from the bipartite honeycomb lattice structure of graphene and is always present along ZZ edges. The second type of localized edge mode is present at edges when the edge-to-bulk hopping ratio deviates significantly from unity. The correlations between edge sites are found to exhibit strikingly different features when mediated by the zero edge mode compared with mediation by the "modified" edge mode. In particular, the zero-mode spectral intensity for correlations between two atomic sites along opposite edges can be comparable in strength with that between two sites on the same edge of a finite-width ribbon, before it eventually tends to zero as the ribbon width tends to infinity. This remarkable behavior shows a strong dependence on the sublattice labels of the sites and is in contrast with properties of the modified hopping edge modes. The explicit form of our analytical expressions for the electronic spectrum enables us to predict the zero-mode properties (including frequency, spatial attenuation, and intensity) when the hopping values along ZZ edges are modified.

  10. Fundamental insights into the electronic structure of zigzag MoS2 nanoribbons.

    PubMed

    Yu, Shansheng; Zheng, Weitao

    2016-02-14

    The structural and electronic properties of zigzag MoS2 nanoribbons are investigated using first-principles density functional theory. Our models are motivated by the experimental observations, in which both Mo edges are terminated by S atoms. Our calculations show that the edge can introduce some extra states into the energy gap, which lead nanoribbons to exhibit a metallic characteristic. Such extra states around the Fermi level are flat or dispersed. Through detailed analyses, we identify and discriminate them based on the major contributors. By applying an external transverse electric field, Eext the extra states around the Fermi level can shift apparently, especially for those attributed to Mo-edge atoms. It can be explained by the charge redistribution in the MoS2 nanoribbons due to Eext. In addition, the nanoribbon can be changed from metal to an n/p-type semiconductor according to different edge hydrogenation. After full edge hydrogenation, we observe a characteristic of anti-bonding orbitals between H and S atoms at the Mo-edge. Interestingly, the energy of anti-bonding orbitals and electric conductivity of nanoribbons can be tailored by Eext. The results suggest a strategy controlling the performance of MoS2 for hydrogen evolution. PMID:26799649

  11. Metal enhanced fluorescence improved protein and DNA detection by zigzag Ag nanorod arrays.

    PubMed

    Ji, Xiaofan; Xiao, Chenyu; Lau, Wai-Fung; Li, Jianping; Fu, Junxue

    2016-08-15

    As metal nano-arrays show great potential on metal enhanced fluorescence (MEF) than random nanostructures, MEF of Ag zigzag nanorod (ZNR) arrays made by oblique angle deposition has been studied for biomolecule-protein interaction and DNA hybridization. By changing the folding number and the deposition substrate temperature, a 14-fold enhancement factor (EF) is obtained for biotin-neutravidin detection. The optimal folding number is decided as Z=7, owing to the high scattering intensity of Ag ZNRs. The substrate temperature T=25°C and 0°C slightly alters the morphology of Ag ZNRs but has no big difference in EF. Further, Ag ZNRs deposited on a layer of Ag film have been introduced to the DNA hybridization and a significant signal enhancement has been observed through the fluorescence microscope. Through a detailed quantitative EF analysis, which excludes the enhancing effect from the increased surface area of ZNRs and only considers the contribution of MEF, an EF of 28 is achieved for the hybridization of two single-stranded oligonucleotides with 33 bases. Furthermore, a limit of detection is determined as 0.01pM. We believe that the Ag ZNR arrays can serve as a universal and sensitive bio-detection platform. PMID:27088369

  12. Zigzag nanoribbons of two-dimensional silicene-like crystals: magnetic, topological and thermoelectric properties.

    PubMed

    Wierzbicki, Michał; Barnaś, Józef; Swirkowicz, Renata

    2015-12-01

    The effects of electron-electron and spin-orbit interactions on the ground-state magnetic configuration and on the corresponding thermoelectric and spin thermoelectric properties in zigzag nanoribbons of two-dimensional hexagonal crystals are analysed theoretically. The thermoelectric properties of quasi-stable magnetic states are also considered. Of particular interest is the influence of Coulomb and spin-orbit interactions on the topological edge states and on the transition between the topological insulator and conventional gap insulator states. It is shown that the interplay of both interactions also has a significant impact on the transport and thermoelectric characteristics of the nanoribbons. The spin-orbit interaction also determines the in-plane magnetic easy axis. The thermoelectric properties of nanoribbons with in-plane magnetic moments are compared to those of nanoribbons with edge magnetic moments oriented perpendicularly to their plane. Nanoribbons with ferromagnetic alignment of the edge moments are shown to reveal spin thermoelectricity in addition to the conventional one. PMID:26565114

  13. First-principles study of line-defect-embedded zigzag graphene nanoribbons: electronic and magnetic properties.

    PubMed

    Guan, Zhaoyong; Si, Chen; Hu, Shuanglin; Duan, Wenhui

    2016-04-28

    Based on first-principles calculations, we present the electronic and magnetic properties of a class of line defect-embedded zigzag graphene nanoribbons, with one edge saturated by two hydrogen atoms per carbon atom and the other edge terminated by only one hydrogen atom. Such edge-modified nanoribbons without line defects are found to be typical bipolar magnetic semiconductors (BMS). In contrast, when the line defect is introduced into the ribbons, the ground state is ferromagnetic, and the resulting nanoribbons can be tuned to spin-polarized metal, metal with Dirac point, or half-metal by varying the position of the line defect, owing to the defect-induced self-doping of the BMS. Specifically, when the line defect is far away from the edges of the ribbon, the system shows half-metallicity. We further confirm the structural and magnetic stability at room temperature by first-principles molecular dynamics simulations. Our findings reveal the possibility of building metal-free electronic/spintronic devices with magnetic/half-metallic graphene nanoribbons. PMID:27087060

  14. Phase diagram study of a dimerized spin-S zig-zag ladder.

    PubMed

    Matera, J M; Lamas, C A

    2014-08-13

    The phase diagram of a frustrated spin-S zig-zag ladder is studied through different numerical and analytical methods. We show that for arbitrary S, there is a family of Hamiltonians for which a fully-dimerized state is an exact ground state, being the Majumdar-Ghosh point for a particular member of the family. We show that the system presents a transition between a dimerized phase to a Néel-like phase for S = 1/2, and spiral phases can appear for large S. The phase diagram is characterized by means of a generalization of the usual mean field approximation. The novelty in the present implementation is to consider the strongest coupled sites as the unit cell. The gap and the excitation spectrum is analyzed through the random phase approximation. Also, a perturbative treatment to obtain the critical points is discussed. Comparisons of the results with numerical methods like the Density Matrix Renormalization Group are also presented. PMID:25054411

  15. Scaffold-free inkjet printing of three-dimensional zigzag cellular tubes.

    PubMed

    Xu, Changxue; Chai, Wenxuan; Huang, Yong; Markwald, Roger R

    2012-12-01

    The capability to print three-dimensional (3D) cellular tubes is not only a logical first step towards successful organ printing but also a critical indicator of the feasibility of the envisioned organ printing technology. A platform-assisted 3D inkjet bioprinting system has been proposed to fabricate 3D complex constructs such as zigzag tubes. Fibroblast (3T3 cell)-based tubes with an overhang structure have been successfully fabricated using the proposed bioprinting system. The post-printing 3T3 cell viability of printed cellular tubes has been found above 82% (or 93% with the control effect considered) even after a 72-h incubation period using the identified printing conditions for good droplet formation, indicating the promising application of the proposed bioprinting system. Particularly, it is proved that the tubular overhang structure can be scaffold-free fabricated using inkjetting, and the maximum achievable height depends on the inclination angle of the overhang structure. As a proof-of-concept study, the resulting fabrication knowledge helps print tissue-engineered blood vessels with complex geometry. PMID:22767299

  16. Controllable spin polarization and spin filtering in a zigzag silicene nanoribbon

    SciTech Connect

    Farokhnezhad, Mohsen Esmaeilzadeh, Mahdi Pournaghavi, Nezhat; Ahmadi, Somaieh

    2015-05-07

    Using non-equilibrium Green's function, we study the spin-dependent electron transport properties in a zigzag silicene nanoribbon. To produce and control spin polarization, it is assumed that two ferromagnetic strips are deposited on the both edges of the silicene nanoribbon and an electric field is perpendicularly applied to the nanoribbon plane. The spin polarization is studied for both parallel and anti-parallel configurations of exchange magnetic fields induced by the ferromagnetic strips. We find that complete spin polarization can take place in the presence of perpendicular electric field for anti-parallel configuration and the nanoribbon can work as a perfect spin filter. The spin direction of transmitted electrons can be easily changed from up to down and vice versa by reversing the electric field direction. For parallel configuration, perfect spin filtering can occur even in the absence of electric field. In this case, the spin direction can be changed by changing the electron energy. Finally, we investigate the effects of nonmagnetic Anderson disorder on spin dependent conductance and find that the perfect spin filtering properties of nanoribbon are destroyed by strong disorder, but the nanoribbon retains these properties in the presence of weak disorder.

  17. Domain Structure and Magnetoresistance in Co2MnGe Zigzag Structures

    NASA Astrophysics Data System (ADS)

    Gross, Katherine; Westerholt, Kurt; Gómez, Maria E.; Zabel, Hartmut

    We report a clear manifestation of the negative contribution to the magnetoresistance due to domain walls in Co2MnGe-Heusler submicron zigzag wires in which the domain structure, domain size and domain wall density can be well controlled. The magnetic behavior of these systems results from the interplay between the intrinsic magneto-crystalline (K4) anisotropy, growth induced uniaxial (KU = 4.7x103 J/m3) anisotropy and shape anisotropy (KS), as observed by magnetic-force microscopy (MFM) and longitudinal Kerr hysteresis loop measurements. Magnetoresistance measurements were performed by the four-point method under a field applied in the plane of the wires at a temperature of 300 K. In these structures, domain wall-creation and annihilation occur in a coherent way. As a result, clear jumps of the resistance are detected during the transition from single-domain- to multi-domain states. At room temperature a value RDW = -2.5 mΩ was obtained; this result is the same order of magnitude as other experimental and theoretical findings. The negative resistive contribution due to the domain wall is also discussed and compared with the existing theoretical models.

  18. Anisotropic thermoelectric behavior in armchair and zigzag mono- and fewlayer MoS2 in thermoelectric generator applications.

    PubMed

    Arab, Abbas; Li, Qiliang

    2015-01-01

    In this work, we have studied thermoelectric properties of monolayer and fewlayer MoS2 in both armchair and zigzag orientations. Density functional theory (DFT) using non-equilibrium Green's function (NEGF) method has been implemented to calculate the transmission spectra of mono- and fewlayer MoS2 in armchair and zigzag directions. Phonon transmission spectra are calculated based on parameterization of Stillinger-Weber potential. Thermoelectric figure of merit, ZT, is calculated using these electronic and phonon transmission spectra. In general, a thermoelectric generator is composed of thermocouples made of both n-type and p-type legs. Based on our calculations, monolayer MoS2 in armchair orientation is found to have the highest ZT value for both p-type and n-type legs compared to all other armchair and zigzag structures. We have proposed a thermoelectric generator based on monolayer MoS2 in armchair orientation. Moreover, we have studied the effect of various dopant species on thermoelectric current of our proposed generator. Further, we have compared output current of our proposed generator with those of Silicon thin films. Results indicate that thermoelectric current of MoS2 armchair monolayer is several orders of magnitude higher than that of Silicon thin films. PMID:26333948

  19. Anisotropic thermoelectric behavior in armchair and zigzag mono- and fewlayer MoS2 in thermoelectric generator applications

    NASA Astrophysics Data System (ADS)

    Arab, Abbas; Li, Qiliang

    2015-09-01

    In this work, we have studied thermoelectric properties of monolayer and fewlayer MoS2 in both armchair and zigzag orientations. Density functional theory (DFT) using non-equilibrium Green’s function (NEGF) method has been implemented to calculate the transmission spectra of mono- and fewlayer MoS2 in armchair and zigzag directions. Phonon transmission spectra are calculated based on parameterization of Stillinger-Weber potential. Thermoelectric figure of merit, ZT, is calculated using these electronic and phonon transmission spectra. In general, a thermoelectric generator is composed of thermocouples made of both n-type and p-type legs. Based on our calculations, monolayer MoS2 in armchair orientation is found to have the highest ZT value for both p-type and n-type legs compared to all other armchair and zigzag structures. We have proposed a thermoelectric generator based on monolayer MoS2 in armchair orientation. Moreover, we have studied the effect of various dopant species on thermoelectric current of our proposed generator. Further, we have compared output current of our proposed generator with those of Silicon thin films. Results indicate that thermoelectric current of MoS2 armchair monolayer is several orders of magnitude higher than that of Silicon thin films.

  20. Anisotropic thermoelectric behavior in armchair and zigzag mono- and fewlayer MoS2 in thermoelectric generator applications

    PubMed Central

    Arab, Abbas; Li, Qiliang

    2015-01-01

    In this work, we have studied thermoelectric properties of monolayer and fewlayer MoS2 in both armchair and zigzag orientations. Density functional theory (DFT) using non-equilibrium Green’s function (NEGF) method has been implemented to calculate the transmission spectra of mono- and fewlayer MoS2 in armchair and zigzag directions. Phonon transmission spectra are calculated based on parameterization of Stillinger-Weber potential. Thermoelectric figure of merit, ZT, is calculated using these electronic and phonon transmission spectra. In general, a thermoelectric generator is composed of thermocouples made of both n-type and p-type legs. Based on our calculations, monolayer MoS2 in armchair orientation is found to have the highest ZT value for both p-type and n-type legs compared to all other armchair and zigzag structures. We have proposed a thermoelectric generator based on monolayer MoS2 in armchair orientation. Moreover, we have studied the effect of various dopant species on thermoelectric current of our proposed generator. Further, we have compared output current of our proposed generator with those of Silicon thin films. Results indicate that thermoelectric current of MoS2 armchair monolayer is several orders of magnitude higher than that of Silicon thin films. PMID:26333948

  1. Optical properties of LEDs with patterned 1D photonic crystal

    NASA Astrophysics Data System (ADS)

    Hronec, P.; Kuzma, A.; Å kriniarová, J.; Kováč, J.; Benčurová, A.; Haščík, Å.; Nemec, P.

    2015-08-01

    In this paper we focus on the application of the one-dimensional photonic crystal (1D PhC) structures on the top of Al0.295Ga0.705As/GaAs multi-quantum well light emitting diode (MQW LED). 1D PhC structures with periods of 600 nm, 700 nm, 800 nm, and 900 nm were fabricated by the E-Beam Direct Write (EBDW) Lithography. Effect of 1D PhC period on the light extraction enhancement was studied. 1D PhC LED radiation profiles were obtained from Near Surface Light Emission Images (NSLEI). Measurements showed the strongest light extraction enhancement using 800 nm period of PhC. Investigation of PhC LED radiation profiles showed strong light decoupling when light reaches PhC structure. Achieved LEE was from 22.6% for 600 nm PhC LED to 47.0% for 800 nm PhC LED. LED with PhC structure at its surface was simulated by FDTD simulation method under excitation of appropriate launch field.

  2. NEW FEATURES OF HYDRUS-1D, VERSION 3.0

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This paper briefly summarizes new features in version 3.0 of HYDRUS-1D, released in May 2005, as compared to version 2.1. The new features are a) new approaches to simulate preferential and nonequilibrium water flow and solute transport, b) a new hysteresis module that avoids the effects of pumpin...

  3. A 1D wavelet filtering for ultrasound images despeckling

    NASA Astrophysics Data System (ADS)

    Dahdouh, Sonia; Dubois, Mathieu; Frenoux, Emmanuelle; Osorio, Angel

    2010-03-01

    Ultrasound images appearance is characterized by speckle, shadows, signal dropout and low contrast which make them really difficult to process and leads to a very poor signal to noise ratio. Therefore, for main imaging applications, a denoising step is necessary to apply successfully medical imaging algorithms on such images. However, due to speckle statistics, denoising and enhancing edges on these images without inducing additional blurring is a real challenging problem on which usual filters often fail. To deal with such problems, a large number of papers are working on B-mode images considering that the noise is purely multiplicative. Making such an assertion could be misleading, because of internal pre-processing such as log compression which are done in the ultrasound device. To address those questions, we designed a novel filtering method based on 1D Radiofrequency signal. Indeed, since B-mode images are initially composed of 1D signals and since the log compression made by ultrasound devices modifies noise statistics, we decided to filter directly the 1D Radiofrequency signal envelope before log compression and image reconstitution, in order to conserve as much information as possible. A bi-orthogonal wavelet transform is applied to the log transform of each signal and an adaptive 1D split and merge like algorithm is used to denoise wavelet coefficients. Experiments were carried out on synthetic data sets simulated with Field II simulator and results show that our filter outperforms classical speckle filtering methods like Lee, non-linear means or SRAD filters.

  4. Non-cooperative Brownian donkeys: A solvable 1D model

    NASA Astrophysics Data System (ADS)

    Jiménez de Cisneros, B.; Reimann, P.; Parrondo, J. M. R.

    2003-12-01

    A paradigmatic 1D model for Brownian motion in a spatially symmetric, periodic system is tackled analytically. Upon application of an external static force F the system's response is an average current which is positive for F < 0 and negative for F > 0 (absolute negative mobility). Under suitable conditions, the system approaches 100% efficiency when working against the external force F.

  5. 1D design style implications for mask making and CEBL

    NASA Astrophysics Data System (ADS)

    Smayling, Michael C.

    2013-09-01

    At advanced nodes, CMOS logic is being designed in a highly regular design style because of the resolution limitations of optical lithography equipment. Logic and memory layouts using 1D Gridded Design Rules (GDR) have been demonstrated to nodes beyond 12nm.[1-4] Smaller nodes will require the same regular layout style but with multiple patterning for critical layers. One of the significant advantages of 1D GDR is the ease of splitting layouts into lines and cuts. A lines and cuts approach has been used to achieve good pattern fidelity and process margin to below 12nm.[4] Line scaling with excellent line-edge roughness (LER) has been demonstrated with self-aligned spacer processing.[5] This change in design style has important implications for mask making: • The complexity of the masks will be greatly reduced from what would be required for 2D designs with very complex OPC or inverse lithography corrections. • The number of masks will initially increase, as for conventional multiple patterning. But in the case of 1D design, there are future options for mask count reduction. • The line masks will remain simple, with little or no OPC, at pitches (1x) above 80nm. This provides an excellent opportunity for continual improvement of line CD and LER. The line pattern will be processed through a self-aligned pitch division sequence to divide pitch by 2 or by 4. • The cut masks can be done with "simple OPC" as demonstrated to beyond 12nm.[6] Multiple simple cut masks may be required at advanced nodes. "Coloring" has been demonstrated to below 12nm for two colors and to 8nm for three colors. • Cut/hole masks will eventually be replaced by e-beam direct write using complementary e-beam lithography (CEBL).[7-11] This transition is gated by the availability of multiple column e-beam systems with throughput adequate for high- volume manufacturing. A brief description of 1D and 2D design styles will be presented, followed by examples of 1D layouts. Mask complexity for 1

  6. TCTEX1D4, a novel protein phosphatase 1 interactor: connecting the phosphatase to the microtubule network

    PubMed Central

    Korrodi-Gregório, Luís; Vieira, Sandra I.; Esteves, Sara L. C.; Silva, Joana V.; Freitas, Maria João; Brauns, Ann-Kristin; Luers, Georg; Abrantes, Joana; Esteves, Pedro J.; da Cruz e Silva, Odete A. B.; Fardilha, Margarida; da Cruz e Silva, Edgar F.

    2013-01-01

    Summary Reversible phosphorylation plays an important role as a mechanism of intracellular control in eukaryotes. PPP1, a major eukaryotic Ser/Thr-protein phosphatase, acquires its specificity by interacting with different protein regulators, also known as PPP1 interacting proteins (PIPs). In the present work we characterized a physiologically relevant PIP in testis. Using a yeast two-hybrid screen with a human testis cDNA library, we identified a novel PIP of PPP1CC2 isoform, the T-complex testis expressed protein 1 domain containing 4 (TCTEX1D4) that has recently been described as a Tctex1 dynein light chain family member. The overlay assays confirm that TCTEX1D4 interacts with the different spliced isoforms of PPP1CC. Also, the binding domain occurs in the N-terminus, where a consensus PPP1 binding motif (PPP1BM) RVSF is present. The distribution of TCTEX1D4 in testis suggests its involvement in distinct functions, such as TGFβ signaling at the blood–testis barrier and acrosome cap formation. Immunofluorescence in human ejaculated sperm shows that TCTEX1D4 is present in the flagellum and in the acrosome region of the head. Moreover, TCTEX1D4 and PPP1 co-localize in the microtubule organizing center (MTOC) and microtubules in cell cultures. Importantly, the TCTEX1D4 PPP1BM seems to be relevant for complex formation, for PPP1 retention in the MTOC and movement along microtubules. These novel results open new avenues to possible roles of this dynein, together with PPP1. In essence TCTEX1D4/PPP1C complex appears to be involved in microtubule dynamics, sperm motility, acrosome reaction and in the regulation of the blood–testis barrier. PMID:23789093

  7. Numerical simulations of heavily polluted fine-grained sediment remobilization using 1D, 1D+, and 2D channel schematization.

    PubMed

    Kaiglová, Jana; Langhammer, Jakub; Jiřinec, Petr; Janský, Bohumír; Chalupová, Dagmar

    2015-03-01

    This article used various hydrodynamic and sediment transport models to analyze the potential and the limits of different channel schematizations. The main aim was to select and evaluate the most suitable simulation method for fine-grained sediment remobilization assessment. Three types of channel schematization were selected to study the flow potential for remobilizing fine-grained sediment in artificially modified channels. Schematization with a 1D cross-sectional horizontal plan, a 1D+ approach, splitting the riverbed into different functional zones, and full 2D mesh, adopted in MIKE by the DHI modeling suite, was applied to the study. For the case study, a 55-km stretch of the Bílina River, in the Czech Republic, Central Europe, which has been heavily polluted by the chemical and coal mining industry since the mid-twentieth century, was selected. Long-term exposure to direct emissions of toxic pollutants including heavy metals and persistent organic pollutants (POPs) resulted in deposits of pollutants in fine-grained sediments in the riverbed. Simulations, based on three hydrodynamic model schematizations, proved that for events not exceeding the extent of the riverbed profile, the 1D schematization can provide comparable results to a 2D model. The 1D+ schematization can improve accuracy while keeping the benefits of high-speed simulation and low requirements of input DEM data, but the method's suitability is limited by the channel properties. PMID:25687259

  8. 1D coordination polymers with polychalcogenides as linkers between metal atoms

    SciTech Connect

    Kysliak, Oleksandr; Beck, Johannes

    2013-07-15

    The reactions of zinc metal with elemental selenium and selenium/sulfur mixtures in liquid ammonia or methylamine under solvothermal conditions in closed glass ampoules at 50 °C lead within some days specifically to [Zn(NH{sub 3}){sub 2}Se{sub 4}]{sub n} (1), [Zn(MeNH{sub 2}){sub 2}Se{sub 4}]{sub n} (2), [Zn(NH{sub 3}){sub 2}Se{sub 2.23}S{sub 1.77}]{sub n} (3). From MnCl{sub 2}, Rb{sub 2}Se and excess Se in n-butylamine [Mn({sup n}BuNH{sub 2}){sub 4}Se{sub 6}]{sub n} (4) is obtained after prolonged reaction time at ambient temperature. The compounds are sensitive towards air and loss of NH{sub 3} or the amine ligands. The crystal structures were determined by single crystal diffraction at low temperatures. As a common structural feature, all compounds represent 1D coordination polymers with polychalcogenide chains as linkers between the metal atoms and consist of infinite [M–Ch{sub m}–]{sub n} chains (M=Zn, Mn; Ch{sub m}=Se{sub 4}, (S/Se){sub 4}, Se{sub 6}). The Zn central atoms in 1–3 have tetrahedral coordination with two amine ligands, the Mn atoms in 4 have octahedral coordination with four amine ligands and cis position of the two Se atoms. Raman spectra of 1–3 show the stretching mode vibrations of the Ch{sub 4} groups. The observation of S–S, S–Se, and Se–Se vibration bands in the spectrum of 3 indicates the presence of mixed S/Se polyanions. An optical band gap of 1.86(5) eV was determined for 2 by diffuse reflectance spectroscopy. - Graphical abstract: The reaction of Zn and Se in liquid methylamine yields dark red [Zn(NH{sub 2}CH{sub 3})Se{sub 4}], a 1D coordination polymer consisting of helical Zn–Se{sub 4}–Zn– chains. - Highlights: • A series of 1D coordination polymers consisting of metal amine complexes concatenated by polychalcogenide ions is presented. • Syntheses were performed as solvothermal reactions in liquid ammonia, liquid methylamine and n-butylamine. • Crystal structures are dominated by helices [M–Ch{sub m

  9. Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.

    PubMed

    Guillet, Jesse L; Bhowmick, Indrani; Shores, Matthew P; Daley, Christopher J A; Gembicky, Milan; Golen, James A; Rheingold, Arnold L; Doerrer, Linda H

    2016-08-15

    A series of heterobimetallic lantern complexes with the central unit {PtM(SAc)4(NCS)} have been prepared and thoroughly characterized. The {Na(15C5)}[PtM(SAc)4(NCS)] series, 1 (Co), 2 (Ni), 3 (Zn), are discrete compounds in the solid state, whereas the {Na(12C4)2)}[PtM(SAc)4(NCS)] series, 4 (Co), 5 (Ni), 6 (Zn), and 7 (Mn), are ion-separated species. Compound 7 is the first {PtMn} lantern of any bridging ligand (carboxylate, amide, etc.). Monomeric 1-7 have M(2+), necessitating counter cations that have been prepared as {(15C5)Na}(+) and {(12C4)2Na}(+) variants, none of which form extended structures. In contrast, neutral [PtCr(tba)4(NCS)]∞ 8 forms a coordination polymer of {PtCr}(+) units linked by (NCS)(-) in a zigzag chain. All eight compounds have been thoroughly characterized and analyzed in comparison to a previously reported family of compounds. Crystal structures are presented for compounds 1-6 and 8, and solution magnetic susceptibility measurements are presented for compounds 1, 2, 4, 5, and 7. Further structural analysis of dimerized {PtM} units reinforces the empirical observation that greater charge density along the Pt-M vector leads to more Pt···Pt interactions in the solid state. Four structural classes, one new, of {MPt}···{PtM} units are presented. Solid state magnetic characterization of 8 reveals a ferromagnetic interaction in the {PtCr(NCS)} chain between the Cr centers of J/kB = 1.7(4) K. PMID:27486841

  10. 1D Josephson quantum interference grids: diffraction patterns and dynamics

    NASA Astrophysics Data System (ADS)

    Lucci, M.; Badoni, D.; Corato, V.; Merlo, V.; Ottaviani, I.; Salina, G.; Cirillo, M.; Ustinov, A. V.; Winkler, D.

    2016-02-01

    We investigate the magnetic response of transmission lines with embedded Josephson junctions and thus generating a 1D underdamped array. The measured multi-junction interference patterns are compared with the theoretical predictions for Josephson supercurrent modulations when an external magnetic field couples both to the inter-junction loops and to the junctions themselves. The results provide a striking example of the analogy between Josephson phase modulation and 1D optical diffraction grid. The Fiske resonances in the current-voltage characteristics with voltage spacing {Φ0}≤ft(\\frac{{\\bar{c}}}{2L}\\right) , where L is the total physical length of the array, {Φ0} the magnetic flux quantum and \\bar{c} the speed of light in the transmission line, demonstrate that the discrete line supports stable dynamic patterns generated by the ac Josephson effect interacting with the cavity modes of the line.

  11. A Bayesian Algorithm for Reading 1D Barcodes

    PubMed Central

    Tekin, Ender; Coughlan, James

    2010-01-01

    The 1D barcode is a ubiquitous labeling technology, with symbologies such as UPC used to label approximately 99% of all packaged goods in the US. It would be very convenient for consumers to be able to read these barcodes using portable cameras (e.g. mobile phones), but the limited quality and resolution of images taken by these cameras often make it difficult to read the barcodes accurately. We propose a Bayesian framework for reading 1D barcodes that models the shape and appearance of barcodes, allowing for geometric distortions and image noise, and exploiting the redundant information contained in the parity digit. An important feature of our framework is that it doesn’t require that every barcode edge be detected in the image. Experiments on a publicly available dataset of barcode images explore the range of images that are readable, and comparisons with two commercial readers demonstrate the superior performance of our algorithm. PMID:20428491

  12. Morphodynamics and sediment tracers in 1-D (MAST-1D): 1-D sediment transport that includes exchange with an off-channel sediment reservoir

    NASA Astrophysics Data System (ADS)

    Lauer, J. Wesley; Viparelli, Enrica; Piégay, Hervé

    2016-07-01

    Bed material transported in geomorphically active gravel bed rivers often has a local source at nearby eroding banks and ends up sequestered in bars not far downstream. However, most 1-D numerical models for gravel transport assume that gravel originates from and deposits on the channel bed. In this paper, we present a 1-D framework for simulating morphodynamic evolution of bed elevation and size distribution in a gravel-bed river that actively exchanges sediment with its floodplain, which is represented as an off-channel sediment reservoir. The model is based on the idea that sediment enters the channel at eroding banks whose elevation depends on total floodplain sediment storage and on the average elevation of the floodplain relative to the channel bed. Lateral erosion of these banks occurs at a specified rate that can represent either net channel migration or channel widening. Transfer of material out of the channel depends on a typical bar thickness and a specified lateral exchange rate due either to net channel migration or narrowing. The model is implemented using an object oriented framework that allows users to explore relationships between bank supply, bed structure, and lateral change rates. It is applied to a ∼50-km reach of the Ain River, France, that experienced significant reduction in sediment supply due to dam construction during the 20th century. Results are strongly sensitive to lateral exchange rates, showing that in this reach, the supply of sand and gravel at eroding banks and the sequestration of gravel in point bars can have strong influence on overall reach-scale sediment budgets.

  13. Waves in a 1D electrorheological dusty plasma lattice

    NASA Astrophysics Data System (ADS)

    Rosenberg, M.

    2015-08-01

    The behavior of waves in a one-dimensional (1D) dusty plasma lattice where the dust interacts via Yukawa and electric dipole interactions is discussed theoretically. This study is motivated by recent reports on electrorheological dusty plasmas (e.g. Ivlev et al. 2008 Phys. Rev. Lett. 100, 095003) where the dipole interaction arises due to an external uniaxial AC electric field that distorts the Debye sphere surrounding each grain. Application to possible dusty plasma experimental parameters is discussed.

  14. Nonreciprocity of edge modes in 1D magnonic crystal

    NASA Astrophysics Data System (ADS)

    Lisenkov, I.; Kalyabin, D.; Osokin, S.; Klos, J. W.; Krawczyk, M.; Nikitov, S.

    2015-03-01

    Spin waves propagation in 1D magnonic crystals is investigated theoretically. Mathematical model based on plane wave expansion method is applied to different types of magnonic crystals, namely bi-component magnonic crystal with symmetric/asymmetric boundaries and ferromagnetic film with periodically corrugated top surface. It is shown that edge modes in magnonic crystals may exhibit nonreciprocal behaviour at much lower frequencies than in homogeneous films.

  15. Constructing 3D interaction maps from 1D epigenomes

    PubMed Central

    Zhu, Yun; Chen, Zhao; Zhang, Kai; Wang, Mengchi; Medovoy, David; Whitaker, John W.; Ding, Bo; Li, Nan; Zheng, Lina; Wang, Wei

    2016-01-01

    The human genome is tightly packaged into chromatin whose functional output depends on both one-dimensional (1D) local chromatin states and three-dimensional (3D) genome organization. Currently, chromatin modifications and 3D genome organization are measured by distinct assays. An emerging question is whether it is possible to deduce 3D interactions by integrative analysis of 1D epigenomic data and associate 3D contacts to functionality of the interacting loci. Here we present EpiTensor, an algorithm to identify 3D spatial associations within topologically associating domains (TADs) from 1D maps of histone modifications, chromatin accessibility and RNA-seq. We demonstrate that active promoter–promoter, promoter–enhancer and enhancer–enhancer associations identified by EpiTensor are highly concordant with those detected by Hi-C, ChIA-PET and eQTL analyses at 200 bp resolution. Moreover, EpiTensor has identified a set of interaction hotspots, characterized by higher chromatin and transcriptional activity as well as enriched TF and ncRNA binding across diverse cell types, which may be critical for stabilizing the local 3D interactions. PMID:26960733

  16. Development of 1D Liner Compression Code for IDL

    NASA Astrophysics Data System (ADS)

    Shimazu, Akihisa; Slough, John; Pancotti, Anthony

    2015-11-01

    A 1D liner compression code is developed to model liner implosion dynamics in the Inductively Driven Liner Experiment (IDL) where FRC plasmoid is compressed via inductively-driven metal liners. The driver circuit, magnetic field, joule heating, and liner dynamics calculations are performed at each time step in sequence to couple these effects in the code. To obtain more realistic magnetic field results for a given drive coil geometry, 2D and 3D effects are incorporated into the 1D field calculation through use of correction factor table lookup approach. Commercial low-frequency electromagnetic fields solver, ANSYS Maxwell 3D, is used to solve the magnetic field profile for static liner condition at various liner radius in order to derive correction factors for the 1D field calculation in the code. The liner dynamics results from the code is verified to be in good agreement with the results from commercial explicit dynamics solver, ANSYS Explicit Dynamics, and previous liner experiment. The developed code is used to optimize the capacitor bank and driver coil design for better energy transfer and coupling. FRC gain calculations are also performed using the liner compression data from the code for the conceptual design of the reactor sized system for fusion energy gains.

  17. Enhancing Solar Cell Efficiencies through 1-D Nanostructures

    PubMed Central

    2009-01-01

    The current global energy problem can be attributed to insufficient fossil fuel supplies and excessive greenhouse gas emissions resulting from increasing fossil fuel consumption. The huge demand for clean energy potentially can be met by solar-to-electricity conversions. The large-scale use of solar energy is not occurring due to the high cost and inadequate efficiencies of existing solar cells. Nanostructured materials have offered new opportunities to design more efficient solar cells, particularly one-dimensional (1-D) nanomaterials for enhancing solar cell efficiencies. These 1-D nanostructures, including nanotubes, nanowires, and nanorods, offer significant opportunities to improve efficiencies of solar cells by facilitating photon absorption, electron transport, and electron collection; however, tremendous challenges must be conquered before the large-scale commercialization of such cells. This review specifically focuses on the use of 1-D nanostructures for enhancing solar cell efficiencies. Other nanostructured solar cells or solar cells based on bulk materials are not covered in this review. Major topics addressed include dye-sensitized solar cells, quantum-dot-sensitized solar cells, and p-n junction solar cells.

  18. Examining Prebiotic Chemistry Using O(^1D) Insertion Reactions

    NASA Astrophysics Data System (ADS)

    Hays, Brian M.; Laas, Jacob C.; Weaver, Susanna L. Widicus

    2013-06-01

    Aminomethanol, methanediol, and methoxymethanol are all prebiotic molecules expected to form via photo-driven grain surface chemistry in the interstellar medium (ISM). These molecules are expected to be precursors for larger, biologically-relevant molecules in the ISM such as sugars and amino acids. These three molecules have not yet been detected in the ISM because of the lack of available rotational spectra. A high resolution (sub)millimeter spectrometer coupled to a molecular source is being used to study these molecules using O(^1D) insertion reactions. The O(^1D) chemistry is initiated using an excimer laser, and the products of the insertion reactions are adiabatically cooled using a supersonic expansion. Experimental parameters are being optimized by examination of methanol formed from O(^1D) insertion into methane. Theoretical studies of the structure and reaction energies for aminomethanol, methanediol, and methoxymethanol have been conducted to guide the laboratory studies once the methanol experiment has been optimized. The results of the calculations and initial experimental results will be presented.

  19. Universal low-energy physics in 1D strongly repulsive multi-component Fermi gases

    NASA Astrophysics Data System (ADS)

    Jiang, Yuzhu; He, Peng; Guan, Xi-Wen

    2016-04-01

    It has been shown (Yang and You 2011 Chin. Phys. Lett. 28 020503) that at zero temperature the ground state of the one-dimensional (1D) w-component Fermi gas coincides with that of the spinless Bose gas in the limit ω \\to ∞ . This behavior was experimentally evidenced through quasi-1D tightly trapping ultracold 173Yb atoms in a recent paper (Pagano et al 2014 Nat. Phys. 10 198). However, understanding of low-temperature behavior of Fermi gases with a repulsive interaction requires spin-charge separated conformal field theories of an effective Tomonaga-Luttinger liquid and an antiferromagnetic SU(w) Heisenberg spin chain. Here we analytically derive universal thermodynamics of 1D strongly repulsive fermionic gases with SU(w) symmetry via the Yang-Yang thermodynamic Bethe ansatz method. The analytical free energy and magnetic properties of the systems at low temperature in a weak magnetic field are obtained through the Wiener-Hopf method. In particular, the free energy essentially manifests the spin-charge separated conformal field theories for high-symmetry systems with arbitrary repulsive interaction strength. We also find that the sound velocity of the Fermi gases in the large w limit coincides with that for the spinless Bose gas, whereas the spin velocity vanishes quickly as w becomes large. This indicates strong suppression of the Fermi exclusion statistics by the commutativity feature among the w-component fermions with different spin states in the Tomonaga-Luttinger liquid phase. Moreover, the equations of state and critical behavior of physical quantities at finite temperature are analytically derived in terms of the polylogarithm functions in the quantum critical region.

  20. Differential Recognition of CD1d-[alpha]-Galactosyl Ceramide by the V[beta]8.2 and V[beta]7 Semi-invariant NKT T Cell Receptors

    SciTech Connect

    Pellicci, Daniel G.; Patel, Onisha; Kjer-Nielsen, Lars; Pang, Siew Siew; Sullivan, Lucy C.; Kyparissoudis, Konstantinos; Brooks, Andrew G.; Reid, Hugh H.; Gras, Stephanie; Lucet, Isabelle S.; Koh, Ruide; Smyth, Mark J.; Mallevaey, Thierry; Matsuda, Jennifer L.; Gapin, Laurent; McCluskey, James; Godfrey, Dale I.; Rossjohn, Jamie; PMCI-A; Monash; UCHSC; Melbourne

    2009-09-02

    The semi-invariant natural killer T cell receptor (NKT TCR) recognizes CD1d-lipid antigens. Although the TCR{alpha} chain is typically invariant, the {beta} chain expression is more diverse, where three V{beta} chains are commonly expressed in mice. We report the structures of V{alpha}14-V{beta}8.2 and V{alpha}14-V{beta}7 NKT TCRs in complex with CD1d-{alpha}-galactosylceramide ({alpha}-GalCer) and the 2.5 {angstrom} structure of the human NKT TCR-CD1d-{alpha}-GalCer complex. Both V{beta}8.2 and V{beta}7 NKT TCRs and the human NKT TCR ligated CD1d-{alpha}-GalCer in a similar manner, highlighting the evolutionarily conserved interaction. However, differences within the V{beta} domains of the V{beta}8.2 and V{beta}7 NKT TCR-CD1d complexes resulted in altered TCR{beta}-CD1d-mediated contacts and modulated recognition mediated by the invariant {alpha} chain. Mutagenesis studies revealed the differing contributions of V{beta}8.2 and V{beta}7 residues within the CDR2{beta} loop in mediating contacts with CD1d. Collectively we provide a structural basis for the differential NKT TCR V{beta} usage in NKT cells.

  1. Synthesis, crystal structure, and properties of a 1-D terbium-substituted monolacunary Keggin-type polyoxotungstate.

    PubMed

    Ma, Pengtao; Si, Yanan; Wan, Rong; Zhang, Shaowei; Wang, Jingping; Niu, Jingyang

    2015-03-01

    A new 1-D linear chainlike terbium-substituted polyoxometalate [Tb(H2O)2(α-PW11O39)](4-) (1) has been synthesized in aqueous solution and characterized by elemental analysis, inductively coupled plasma atomic emission spectrometry (ICP-AES), X-ray powder diffraction (XRPD), IR spectrum, thermal analysis, electrospray ionization mass spectrometry (ESI-MS), and X-ray single-crystal diffraction. X-ray structural analysis reveals that 1 displays a 1-D linear chain containing [Tb(H2O)2(α-PW11O39)](4-) moieties. The Tb(III) cation incorporated into the monolacunary Keggin-type [α-PW11O39](7-) unit resides in a distorted monocapped triangular prismatic geometry and acts as a linker to join two adjacent [α-PW11O39](7-) units to form a 1-D chain structure. Solid-state photoluminescent property of 1 has been investigated at room temperature and the photoluminescent emission mainly results from the synergistic effect of the Tb(III) cation and the Na7[α-PW11O39] precursor. The ESI-MS spectrum of 1 confirms that the polyanion [Tb(H2O)(HPW11O39)](3-) is stable in aqueous solution. PMID:25541394

  2. Synthesis, crystal structure, and properties of a 1-D terbium-substituted monolacunary Keggin-type polyoxotungstate

    NASA Astrophysics Data System (ADS)

    Ma, Pengtao; Si, Yanan; Wan, Rong; Zhang, Shaowei; Wang, Jingping; Niu, Jingyang

    2015-03-01

    A new 1-D linear chainlike terbium-substituted polyoxometalate [Tb(H2O)2(α-PW11O39)]4- (1) has been synthesized in aqueous solution and characterized by elemental analysis, inductively coupled plasma atomic emission spectrometry (ICP-AES), X-ray powder diffraction (XRPD), IR spectrum, thermal analysis, electrospray ionization mass spectrometry (ESI-MS), and X-ray single-crystal diffraction. X-ray structural analysis reveals that 1 displays a 1-D linear chain containing [Tb(H2O)2(α-PW11O39)]4- moieties. The Tb(III) cation incorporated into the monolacunary Keggin-type [α-PW11O39]7- unit resides in a distorted monocapped triangular prismatic geometry and acts as a linker to join two adjacent [α-PW11O39]7- units to form a 1-D chain structure. Solid-state photoluminescent property of 1 has been investigated at room temperature and the photoluminescent emission mainly results from the synergistic effect of the TbIII cation and the Na7[α-PW11O39] precursor. The ESI-MS spectrum of 1 confirms that the polyanion [Tb(H2O)(HPW11O39)]3- is stable in aqueous solution.

  3. Modification of conductive properties of (10, 0) zigzag single-walled carbon nanotubes (SWCNT) by alkali metals absorption

    NASA Astrophysics Data System (ADS)

    Hamadanian, Masood; Tavangar, Zahra; Noori, Banafsheh

    2014-11-01

    We have investigated the electronic and structural properties of (10, 0) zigzag single-walled carbon nanotubes (SWCNT) which have adsorbed different alkali metals (X: Li, Na, K, and Cs) and the hydrogen atom by using Density Functional Theory (DFT). It was discovered that among the alkali elements, Li atoms form the strongest bond with SWCNT. In addition, a significant shift was observed in the electronic state of alkali-adsorbed SWCNT compared to pristine SWCNT. Finally, it was proposed that due to showing excellent electronic structure, these modified nanotubes can be applied in new electronic devices, such as transistors, and field emission displays.

  4. The concept of a novel hybrid smart composite reinforced with radially aligned zigzag carbon nanotubes on piezoelectric fibers

    NASA Astrophysics Data System (ADS)

    Ray, M. C.

    2010-03-01

    A new hybrid piezoelectric composite (HPZC) reinforced with zigzag single-walled carbon nanotubes (CNTs) and piezoelectric fibers is proposed. The novel constructional feature of this composite is that the uniformly aligned CNTs are radially grown on the surface of piezoelectric fibers. A micromechanics model is derived to estimate the effective piezoelectric and elastic properties. It is found that the effective piezoelectric coefficient e31 of the proposed HPZC, which accounts for the in-plane actuation, is significantly higher than that of the existing 1-3 piezoelectric composite without reinforcement with carbon nanotubes and the previously reported hybrid piezoelectric composite (Ray and Batra 2009 ASME J. Appl. Mech. 76 034503).

  5. Time-dependent density-functional theory simulation of local currents in pristine and single-defect zigzag graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    He, Shenglai; Russakoff, Arthur; Li, Yonghui; Varga, Kálmán

    2016-07-01

    The spatial current distribution in H-terminated zigzag graphene nanoribbons (ZGNRs) under electrical bias is investigated using time-dependent density-functional theory solved on a real-space grid. A projected complex absorbing potential is used to minimize the effect of reflection at simulation cell boundary. The calculations show that the current flows mainly along the edge atoms in the hydrogen terminated pristine ZGNRs. When a vacancy is introduced to the ZGNRs, loop currents emerge at the ribbon edge due to electrons hopping between carbon atoms of the same sublattice. The loop currents hinder the flow of the edge current, explaining the poor electric conductance observed in recent experiments.

  6. Electronic and thermoelectric transport properties for a zigzag graphene-silicene-graphene heterojunction modulated by external field

    NASA Astrophysics Data System (ADS)

    Zhou, Benhu; Zhou, Benliang; Zeng, Yangsu; Zhou, Guanghui; Duan, Manyi

    2016-04-01

    we investigate the electronic and thermoelectric transport properties for a graphene-silicene-graphene (GSG) heterojunction with zigzag-edge nanoribbons under the modulation of the effective spin-orbit coupling (SOC) and potential energy. Using the nonequilibrium Green's function method, it is demonstrated that both the transmission coefficient T and the charge Seebeck coefficient SC display the oscillatory behavior and can be effectively modulated by effective SOC λSO and the potential energy V0. Furthermore, the even-odd difference in transport and thermoelectric properties disappears in the GSG heterojunction. Additionally, the dependence of the transmission coefficient and the charge Seebeck coefficient on Anderson disorder strength has been studied.

  7. Optimization of magneto-resistive response of ion-irradiated exchange biased films through zigzag arrangement of magnetization

    SciTech Connect

    Trützschler, Julia; Sentosun, Kadir; McCord, Jeffrey; Langer, Manuel; Fassbender, Jürgen; Mönch, Ingolf; Mattheis, Roland

    2014-03-14

    Exchange coupled ferromagnetic-antiferromagnetic Ni{sub 81}Fe{sub 19}/Ir{sub 23}Mn{sub 77} films with a zigzag alignment of magnetization are prepared by local ion irradiation. The anisotropic magneto-resistive behavior of the magnetic thin film structures is correlated to the magnetic structure and modeled. A unique uniaxial field sensitivity along the net magnetization alignment is obtained through the orthogonally modulated and magnetic domain wall stabilized magnetic ground state. Controlling local thin film magnetization distributions and, thus, the overall magnetization response opens unique ways to tailor the magneto-resistive sensitivity of functional magnetic thin film devices.

  8. Extended-Range Ultrarefractive 1D Photonic Crystal Prisms

    NASA Technical Reports Server (NTRS)

    Ting, David Z.

    2007-01-01

    A proposal has been made to exploit the special wavelength-dispersive characteristics of devices of the type described in One-Dimensional Photonic Crystal Superprisms (NPO-30232) NASA Tech Briefs, Vol. 29, No. 4 (April 2005), page 10a. A photonic crystal is an optical component that has a periodic structure comprising two dielectric materials with high dielectric contrast (e.g., a semiconductor and air), with geometrical feature sizes comparable to or smaller than light wavelengths of interest. Experimental superprisms have been realized as photonic crystals having three-dimensional (3D) structures comprising regions of amorphous Si alternating with regions of SiO2, fabricated in a complex process that included sputtering. A photonic crystal of the type to be exploited according to the present proposal is said to be one-dimensional (1D) because its contrasting dielectric materials would be stacked in parallel planar layers; in other words, there would be spatial periodicity in one dimension only. The processes of designing and fabricating 1D photonic crystal superprisms would be simpler and, hence, would cost less than do those for 3D photonic crystal superprisms. As in 3D structures, 1D photonic crystals may be used in applications such as wavelength-division multiplexing. In the extended-range configuration, it is also suitable for spectrometry applications. As an engineered structure or artificially engineered material, a photonic crystal can exhibit optical properties not commonly found in natural substances. Prior research had revealed several classes of photonic crystal structures for which the propagation of electromagnetic radiation is forbidden in certain frequency ranges, denoted photonic bandgaps. It had also been found that in narrow frequency bands just outside the photonic bandgaps, the angular wavelength dispersion of electromagnetic waves propagating in photonic crystal superprisms is much stronger than is the angular wavelength dispersion obtained

  9. Non-linearity in Bayesian 1-D magnetotelluric inversion

    NASA Astrophysics Data System (ADS)

    Guo, Rongwen; Dosso, Stan E.; Liu, Jianxin; Dettmer, Jan; Tong, Xiaozhong

    2011-05-01

    This paper applies a Bayesian approach to examine non-linearity for the 1-D magnetotelluric (MT) inverse problem. In a Bayesian formulation the posterior probability density (PPD), which combines data and prior information, is interpreted in terms of parameter estimates and uncertainties, which requires optimizing and integrating the PPD. Much work on 1-D MT inversion has been based on (approximate) linearized solutions, but more recently fully non-linear (numerical) approaches have been applied. This paper directly compares results of linearized and non-linear uncertainty estimation for 1-D MT inversion; to do so, advanced methods for both approaches are applied. In the non-linear formulation used here, numerical optimization is carried out using an adaptive-hybrid algorithm. Numerical integration applies Metropolis-Hastings sampling, rotated to a principal-component parameter space for efficient sampling of correlated parameters, and employing non-unity sampling temperatures to ensure global sampling. Since appropriate model parametrizations are generally not known a priori, both under- and overparametrized approaches are considered. For underparametrization, the Bayesian information criterion is applied to determine the number of layers consistent with the resolving power of the data. For overparametrization, prior information is included which favours simple structure in a manner similar to regularized inversion. The data variance and/or trade-off parameter regulating data and prior information are treated in several ways, including applying fixed optimal estimates (an empirical Bayesian approach) or including them as hyperparameters in the sampling (hierarchical Bayesian). The latter approach has the benefit of accounting for the uncertainty in the hyperparameters in estimating model parameter uncertainties. Non-linear and linearized inversion results are compared for synthetic test cases and for the measured COPROD1 MT data by considering marginal probability

  10. Spatial coherence of polaritons in a 1D channel

    SciTech Connect

    Savenko, I. G.; Iorsh, I. V.; Kaliteevski, M. A.; Shelykh, I. A.

    2013-01-15

    We analyze time evolution of spatial coherence of a polariton ensemble in a quantum wire (1D channel) under constant uniform resonant pumping. Using the theoretical approach based on the Lindblad equation for a one-particle density matrix, which takes into account the polariton-phonon and excitonexciton interactions, we study the behavior of the first-order coherence function g{sup 1} for various pump intensities and temperatures in the range of 1-20 K. Bistability and hysteresis in the dependence of the first-order coherence function on the pump intensity is demonstrated.

  11. Structural stability of a 1D compressible viscoelastic fluid model

    NASA Astrophysics Data System (ADS)

    Huo, Xiaokai; Yong, Wen-An

    2016-07-01

    This paper is concerned with a compressible viscoelastic fluid model proposed by Öttinger. Although the model has a convex entropy, the Hessian matrix of the entropy does not symmetrize the system of first-order partial differential equations due to the non-conservative terms in the constitutive equation. We show that the corresponding 1D model is symmetrizable hyperbolic and dissipative and satisfies the Kawashima condition. Based on these, we prove the global existence of smooth solutions near equilibrium and justify the compatibility of the model with the Navier-Stokes equations.

  12. Phthalocyanine based 1D nanowires for device applications

    NASA Astrophysics Data System (ADS)

    Saini, Rajan; Mahajan, Aman; Bedi, R. K.

    2012-06-01

    1D nanowires (NWs) of Cu (II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-Phthalocyanine (CuPc(OBu)8) molecule have been grown on different substrates by cost effective solution processing technique. The density of NWs is found to be strongly dependent on the concentration of solution. The possible formation mechanism of these structures is π-π interaction between phthalocyanine molecules. The improved conductivity of these NWs as compared to spin coated film indicates their potential for molecular device applications.

  13. Coherent thermal conductance of 1-D photonic crystals

    NASA Astrophysics Data System (ADS)

    Tschikin, Maria; Ben-Abdallah, Philippe; Biehs, Svend-Age

    2012-10-01

    We present an exact calculation of coherent thermal conductance in 1-D multilayer photonic crystals using the S-matrix method. In particular, we study the thermal conductance in a bilayer structure of Si/vacuum or Al2O3/vacuum slabs by means of the exact radiative heat flux expression. Based on the results obtained for the Al2O3/vacuum structure we show by comparison with previous works that the material losses and (localized) surface modes supported by the inner layers play a fundamental role and cannot be omitted in the definition of thermal conductance. Our results could have significant implications in the conception of efficient thermal barriers.

  14. Deconvolution/identification techniques for 1-D transient signals

    SciTech Connect

    Goodman, D.M.

    1990-10-01

    This paper discusses a variety of nonparametric deconvolution and identification techniques that we have developed for application to 1-D transient signal problems. These methods are time-domain techniques that use direct methods for matrix inversion. Therefore, they are not appropriate for large data'' problems. These techniques involve various regularization methods and permit the use of certain kinds of a priori information in estimating the unknown. These techniques have been implemented in a package using standard FORTRAN that should make the package readily transportable to most computers. This paper is also meant to be an instruction manual for the package. 25 refs., 17 figs., 1 tab.

  15. Fast Optimal Load Balancing Algorithms for 1D Partitioning

    SciTech Connect

    Pinar, Ali; Aykanat, Cevdet

    2002-12-09

    One-dimensional decomposition of nonuniform workload arrays for optimal load balancing is investigated. The problem has been studied in the literature as ''chains-on-chains partitioning'' problem. Despite extensive research efforts, heuristics are still used in parallel computing community with the ''hope'' of good decompositions and the ''myth'' of exact algorithms being hard to implement and not runtime efficient. The main objective of this paper is to show that using exact algorithms instead of heuristics yields significant load balance improvements with negligible increase in preprocessing time. We provide detailed pseudocodes of our algorithms so that our results can be easily reproduced. We start with a review of literature on chains-on-chains partitioning problem. We propose improvements on these algorithms as well as efficient implementation tips. We also introduce novel algorithms, which are asymptotically and runtime efficient. We experimented with data sets from two different applications: Sparse matrix computations and Direct volume rendering. Experiments showed that the proposed algorithms are 100 times faster than a single sparse-matrix vector multiplication for 64-way decompositions on average. Experiments also verify that load balance can be significantly improved by using exact algorithms instead of heuristics. These two findings show that exact algorithms with efficient implementations discussed in this paper can effectively replace heuristics.

  16. Monoclinic crystal structure of α -RuCl3 and the zigzag antiferromagnetic ground state

    NASA Astrophysics Data System (ADS)

    Johnson, R. D.; Williams, S. C.; Haghighirad, A. A.; Singleton, J.; Zapf, V.; Manuel, P.; Mazin, I. I.; Li, Y.; Jeschke, H. O.; Valentí, R.; Coldea, R.

    2015-12-01

    The layered honeycomb magnet α -RuCl3 has been proposed as a candidate to realize a Kitaev spin model with strongly frustrated, bond-dependent, anisotropic interactions between spin-orbit entangled jeff=1/2 Ru3 + magnetic moments. Here, we report a detailed study of the three-dimensional crystal structure using x-ray diffraction on untwinned crystals combined with structural relaxation calculations. We consider several models for the stacking of honeycomb layers and find evidence for a parent crystal structure with a monoclinic unit cell corresponding to a stacking of layers with a unidirectional in-plane offset, with occasional in-plane sliding stacking faults, in contrast with the currently assumed trigonal three-layer stacking periodicity. We report electronic band-structure calculations for the monoclinic structure, which find support for the applicability of the jeff=1/2 picture once spin-orbit coupling and electron correlations are included. Of the three nearest-neighbor Ru-Ru bonds that comprise the honeycomb lattice, the monoclinic structure makes the bond parallel to the b axis nonequivalent to the other two, and we propose that the resulting differences in the magnitude of the anisotropic exchange along these bonds could provide a natural mechanism to explain the previously reported spin gap in powder inelastic neutron scattering measurements, in contrast to spin models based on the three-fold symmetric trigonal structure, which predict a gapless spectrum within linear spin wave theory. Our susceptibility measurements on both powders and stacked crystals, as well as magnetic neutron powder diffraction, show a single magnetic transition upon cooling below TN≈13 K. The analysis of our neutron powder diffraction data provides evidence for zigzag magnetic order in the honeycomb layers with an antiferromagnetic stacking between layers. Magnetization measurements on stacked single crystals in pulsed field up to 60 T show a single transition around 8 T for in

  17. Application of WinSRFR4 program to zigzag corrugated furrow irrigation in Bolivia

    NASA Astrophysics Data System (ADS)

    Roldán Cañas, José; Moreno Perez, Maria Fatima; Garcia Moreno, Francisco Javier; Chipana, Rene

    2013-04-01

    Program WinSRFR4, developed by the Agricultural Research Service-U.S. Department of Agriculture, is used to perform surface irrigation evaluations, to establish appropriate irrigation parameters to get better irrigation efficiencies, to execute irrigation simulations and so to set several alternatives to the design of an irrigation. This paper aims to adapt WinSRFR4 program to zigzag corrugated furrow irrigation performed in the Andean regions of Bolivia. These irrigations are quite peculiar as they are carried out in areas with steep slope and with very low flow rates to avoid the risk of erosion. Besides of this, the flow rates are quite variable during the irrigation application. The greater length of the furrows is drawn on contours performing small jumps between consecutive contours. Available data are taken for seven irrigations for different periods of lettuce crop growth. First, a model that fits irrigations executed has been searched. For this, we have conducted a series of tests with the program WinSRFR4, being necessary to carry some simplifications given the peculiarity of this type of irrigation. The procedure consisted in determining the advance curves during irrigation. Later, the parameters of the Kostiakov - Lewis equation have been calculated by the method of Walker and Elliot. Although the furrow longitudinal profile was available, a mean slope was used at the time of establishing the model. WinSRFR provides a model of analyzed irrigation with a coefficient of determination ranged from R2 = 0.3520 to R2 = 0.9095. Finally, the errors obtained in the mass balances are between 2% and 14%. The model showed that application efficiencies ranged between 9% and 35%, rather poor, while runoff coefficients varied between 47% and 91%. Not too much importance is given to the fact that runoff occurs because runoff water is used in plots located at a lower level Irrigation simulations have been carried out using WinSRFR by changing the operation variables

  18. The Zigzag Path of Buoyant Magnetic Tubes and the Generation of Vorticity along Their Periphery

    NASA Astrophysics Data System (ADS)

    Emonet, T.; Moreno-Insertis, F.; Rast, M. P.

    2001-03-01

    We study the generation of vorticity in the magnetic boundary layer of buoyant magnetic tubes and its consequences for the trajectory of magnetic structures rising in the solar convection zone. When the Reynolds number is well above 1, the wake trailing the tube sheds vortex rolls, producing a von Kármán vortex street, similar to the case of flows around rigid cylinders. The shedding of a vortex roll causes an imbalance of vorticity in the tube. The ensuing vortex force excites a transverse oscillation of the flux tube as a whole so that it follows a zigzag upward path instead of rising along a straight vertical line. In this paper, the physics of vorticity generation in the boundary layer is discussed and scaling laws for the relevant terms are presented. We then solve the two-dimensional magnetohydrodynamic equations numerically, measure the vorticity production, and show the formation of a vortex street and the consequent sinusoidal path of the magnetic flux tube. For high values of the plasma beta, the trajectory of the tubes is found to be independent of β but varying with the Reynolds number. The Strouhal number, which measures the frequency of vortex shedding, shows in our rising tubes only a weak dependence with the Reynolds numbers, a result also obtained in the rigid-tube laboratory experiments. In fact, the actual values measured in the latter are also close to those of our numerical calculations. As the Reynolds numbers are increased, the amplitude of the lift force grows and the trajectory becomes increasingly complicated. It is shown how a simple analytical equation (which includes buoyancy, drag, and vortex forces) can satisfactorily reproduce the computed trajectories. The different regimes of rise can be best understood in terms of a dimensionless parameter, χ, which measures the importance of the vortex force as compared with the buoyancy and drag forces. For χ2<<1, the rise is drag dominated and the trajectory is mainly vertical with a small

  19. Reactions of HO2 with carbon monoxide and nitric oxide and of O/1 D/ with water.

    NASA Technical Reports Server (NTRS)

    Simonaitis, R.; Heicklen, J.

    1973-01-01

    Investigation of the reactions of the hydroperoxyl radical with carbon monoxide and nitric oxide in a static system, and reexamination of the reaction of O(1 D) with water. The HO2 radicals were generated by the photolysis of N2O at 2139 A in the presence of excess H2O or H2 and smaller amounts of CO and O2. The O(1 D) atoms produced from the photolysis of N2O react with H2O or with H2 to give OH radicals in the case of H2O or OH radicals and H atoms in the case of H2. With H2O, two OH radicals are produced for each O(1 D) removed at low pressures, but the OH yield drops as the pressure is raised. This drop is attributed to an insertion reaction which removes from 10 to 30% of the O(1 D) atoms at about 650 torr of H2O at 200 F. The OH radicals generated can react with either CO or H2 to produce H atoms, which then add to O2 to produce HO2. In the absence of NO, the HO2 radicals could react by two routes, while with NO present NO2 is produced in a long chain process.

  20. Mouse and Human CD1d-Self-Lipid Complexes Are Recognized Differently by Murine Invariant Natural Killer T Cell Receptors

    PubMed Central

    Guo, Tingxi; Chamoto, Kenji; Nakatsugawa, Munehide; Ochi, Toshiki; Yamashita, Yuki; Anczurowski, Mark; Butler, Marcus O.; Hirano, Naoto

    2016-01-01

    Invariant natural killer T (iNKT) cells recognize self-lipids presented by CD1d through characteristic TCRs, which mainly consist of the invariant Vα14-Jα18 TCRα chain and Vβ8.2, 7 or 2 TCRβ chains with hypervariable CDR3β sequences in mice. The iNKT cell-CD1d axis is conserved between humans and mice, and human CD1d reactivity of murine iNKT cells have been described. However, the detailed differences between the recognition of human and mouse CD1d bound to various self-lipids by mouse iNKT TCRs are largely unknown. In this study, we generated a de novo murine iNKT TCR repertoire with a wider range of autoreactivity compared with that of naturally occurring peripheral iNKT TCRs. Vβ8.2 mouse iNKT TCRs capable of recognizing the human CD1d-self-lipid tetramer were identified, although such clones were not detectable in the Vβ7 or Vβ2 iNKT TCR repertoire. In line with previously reports, clonotypic Vβ8.2 iNKT TCRs with unique CDR3β loops did not discriminate among lipids presented by mouse CD1d. Unexpectedly, however, these iNKT TCRs showed greater ligand selectivity toward human CD1d presenting the same lipids. Our findings demonstrated that the recognition of mouse and human CD1d-self-lipid complexes by murine iNKT TCRs is not conserved, thereby further elucidating the differences between cognate and cross-species reactivity of self-antigens by mouse iNKT TCRs. PMID:27213277

  1. The Extended Family of CD1d-Restricted NKT Cells: Sifting through a Mixed Bag of TCRs, Antigens, and Functions

    PubMed Central

    Macho-Fernandez, Elodie; Brigl, Manfred

    2015-01-01

    Natural killer T (NKT) cells comprise a family of specialized T cells that recognize lipid antigens presented by CD1d. Based on their T cell receptor (TCR) usage and antigen specificities, CD1d-restricted NKT cells have been divided into two main subsets: type I NKT cells that use a canonical invariant TCR α-chain and recognize α-galactosylceramide (α-GalCer), and type II NKT cells that use a more diverse αβ TCR repertoire and do not recognize α-GalCer. In addition, α-GalCer-reactive NKT cells that use non-canonical αβ TCRs and CD1d-restricted T cells that use γδ or δ/αβ TCRs have recently been identified, revealing further diversity among CD1d-restricted T cells. Importantly, in addition to their distinct antigen specificities, functional differences are beginning to emerge between the different members of the CD1d-restricted T cell family. In this review, while using type I NKT cells as comparison, we will focus on type II NKT cells and the other non-invariant CD1d-restricted T cell subsets, and discuss our current understanding of the antigens they recognize, the formation of stimulatory CD1d/antigen complexes, the modes of TCR-mediated antigen recognition, and the mechanisms and consequences of their activation that underlie their function in antimicrobial responses, anti-tumor immunity, and autoimmunity. PMID:26284062

  2. Blood flow quantification using 1D CFD parameter identification

    NASA Astrophysics Data System (ADS)

    Brosig, Richard; Kowarschik, Markus; Maday, Peter; Katouzian, Amin; Demirci, Stefanie; Navab, Nassir

    2014-03-01

    Patient-specific measurements of cerebral blood flow provide valuable diagnostic information concerning cerebrovascular diseases rather than visually driven qualitative evaluation. In this paper, we present a quantitative method to estimate blood flow parameters with high temporal resolution from digital subtraction angiography (DSA) image sequences. Using a 3D DSA dataset and a 2D+t DSA sequence, the proposed algorithm employs a 1D Computational Fluid Dynamics (CFD) model for estimation of time-dependent flow values along a cerebral vessel, combined with an additional Advection Diffusion Equation (ADE) for contrast agent propagation. The CFD system, followed by the ADE, is solved with a finite volume approximation, which ensures the conservation of mass. Instead of defining a new imaging protocol to obtain relevant data, our cost function optimizes the bolus arrival time (BAT) of the contrast agent in 2D+t DSA sequences. The visual determination of BAT is common clinical practice and can be easily derived from and be compared to values, generated by a 1D-CFD simulation. Using this strategy, we ensure that our proposed method fits best to clinical practice and does not require any changes to the medical work flow. Synthetic experiments show that the recovered flow estimates match the ground truth values with less than 12% error in the mean flow rates.

  3. Validation of 3D/1D Analysis of ICRF Antennas

    NASA Astrophysics Data System (ADS)

    Milanesio, D.; Lancellotti, V.; Kyrytsya, V.; Maggiora, R.; Vecchi, G.; Parisot, A.; Wukitch, S. J.

    2004-11-01

    An innovative tool has been realized for the 3D/1D simulation of Ion Cyclotron Radio Frequency (ICRF), i.e. accounting for antennas in a realistic 3D geometry and with an accurate 1D plasma model. The approach to the problem is based on an integral-equation formulation for the self-consistent evaluation of the current distribution on the conductors. The environment has been subdivided in two coupled region: the plasma region and the vacuum region. The two problems are linked by means of electromagnetic current distribution on the aperture between the two regions. The plasma enters the formalism via a surface impedance matrix for this reason any plasma model can be used. The source term directly models the TEM mode of the coax feeding the antenna and the current in the coax is determined self-consistently, giving the input impedance/admittance of the antenna itself. The suite, called TOPICA, has been used in the design of various ICRF antennas and also for the performance prediction of the ALCATOR C-MOD D and E antenna. An extensive set of comparisons between measured and simulated antenna parameters during ALCATOR C-MOD operation will be presented.

  4. Engineered atom-light interactions in 1D photonic crystals

    NASA Astrophysics Data System (ADS)

    Martin, Michael J.; Hung, Chen-Lung; Yu, Su-Peng; Goban, Akihisa; Muniz, Juan A.; Hood, Jonathan D.; Norte, Richard; McClung, Andrew C.; Meenehan, Sean M.; Cohen, Justin D.; Lee, Jae Hoon; Peng, Lucas; Painter, Oskar; Kimble, H. Jeff

    2014-05-01

    Nano- and microscale optical systems offer efficient and scalable quantum interfaces through enhanced atom-field coupling in both resonators and continuous waveguides. Beyond these conventional topologies, new opportunities emerge from the integration of ultracold atomic systems with nanoscale photonic crystals. One-dimensional photonic crystal waveguides can be engineered for both stable trapping configurations and strong atom-photon interactions, enabling novel cavity QED and quantum many-body systems, as well as distributed quantum networks. We present the experimental realization of such a nanophotonic quantum interface based on a nanoscale photonic crystal waveguide, demonstrating a fractional waveguide coupling of Γ1 D /Γ' of 0 . 32 +/- 0 . 08 , where Γ1 D (Γ') is the atomic emission rate into the guided (all other) mode(s). We also discuss progress towards intra-waveguide trapping of ultracold Cs. This work was supported by the IQIM, an NSF Physics Frontiers Center with support from the Moore Foundation, the DARPA ORCHID program, the AFOSR QuMPASS MURI, the DoD NSSEFF program, NSF, and the Kavli Nanoscience Institute (KNI) at Caltech.

  5. New Family of Cerium Halide Based Materials: CeX 3 ·ROH Compounds Containing Planes, Chains, and Tetradecanuclear Rings

    SciTech Connect

    Vaughn, Shae Anne; Chakoumakos, Bryan C.; Custelcean, Radu; Ramey, Joanne O.; Smith, Mark D.; Boatner, Lynn A.; zur Loye, Hans-Conrad

    2012-10-15

    Six members of a new family of cerium-halide-based materials with promising scintillation behavior have been synthesized in single crystal form, and their crystal structures were determined. S p e c i fi c a l l y , t h e s e n e w c o m p o u n d s a r e [(CeCl3)7(BuOH)16(H2O)2] (BuOH)2 (1), (CeBr3)14(BuOH)36 (2), [(CeCl3)7(1-PrOH)16(H2O)2] (1-PrOH)2 (3), [(CeBr3)7(1- PrOH)18] (1-PrOH)2 (4), [(CeCl3)6(iBuOH)15] (iBuOH)2 (5), and CeCl3(sec-BuOH)2(H2O) (6). Additionally, the scintillation ability of compound 1 was established. The structures of these cerium-halide-based materials consist of catenated tetradecanuclear rings that arrange themselves into three distinct structural motifs which contain the largest lanthanide-based ring structures reported to date; the different motifs are obtained by involving specific alcohols during synthesis. Specifically, n-butanol and n-propanol lead to 1-D chains of tetradecanuclear rings, and iso-butanol leads to 2-D parquet-patterned sheets of rectangular tetradecanuclear rings, while sec-butanol results in a zigzag 1-D chain structure. One of the compounds, [(CeCl3)6(iBuOH)15] (iBuOH)2, has been shown to scintillate with a light yield of up to 1920 photons/MeV, and due to the presence of protons, it should be capable of detecting high energy neutrons without the necessity of prior thermalization. Furthermore, it also appears to be the first cerium-based compound that scintillates in spite of the fact that water coordinates to two of the Ce(III) centers within the structure.

  6. Quantization of Energy in 1D Model of Crystal Lattice with Local Perturbations Induced by Ion-Beam Impact

    NASA Astrophysics Data System (ADS)

    Minárik, Stanislav

    2015-08-01

    In this paper, we propose theoretical basis for investigation of dynamics of acoustic phonons in a thin layers containing nano-scale structural inhomogeneities. One-dimensional (1D) model of a crystal lattice was considered to reveal specific features of the processes arising in such system of phonons in equilibrium state. Standard quantization of energy of 1D ionic chain vibrating by acoustic frequencies was carried out while the presence of foreign ions in this chain was taken into account. Since only two dimensions are dominant in thin layers, only longitudinal vibrations of the chain in the plane of the layer were considered. Results showed that foreign ions affect the energy quantization. Phonon-phonon interaction between two phonon`s modes can be expected if the mass of foreign ions implanted by ion-beam differs from the mass of ions in the initial layer. We believe that the obtained results will help to understand the character of phonon systems in nanostructured thin layers prepared by ion-bem technology, and will allow better explain some thermal and electrical phenomena associated with lattice dynamics in such layers.

  7. A series of novel 1D coordination polymers constructed from metal?quinolone complex fragments linked by aromatic dicarboxylate ligands

    NASA Astrophysics Data System (ADS)

    He, Jiang-Hong; Xiao, Dong-Rong; Yan, Shi-Wei; Sun, Dian-Zhen; Chen, Hai-Yan; Wang, Xin; Yang, Juan; Ye, Zhong-Li; Yuan, Ruo; Wang, En-Bo

    2012-08-01

    Self-assembly of quinolones with metal salts in the presence of aromatic dicarboxylate ligands affords a series of novel 1D metal-quinolone complexes, namely [Mn(Hppa)(oba)]·3H2O (1), [Co(Hppa)(oba)]·3.25H2O (2), [Zn(Hppa)(sdba)]·1.5H2O (3), [Mn(Hcf)(bpda)(H2O)]·2H2O (4), [Mn(Hppa)2(bpdc)] (5) and [Mn(Hlome)2(bpdc)]·4H2O (6) (Hppa = Pipemidic acid, Hcf = ciprofloxacin, Hlome = lomefloxacin). The structures of compounds 1-3 consist of novel polymeric chains spanning two different directions, which display an intriguing 1D → 3D inclined polycatenation of supramolecular ladders. Compound 4 exhibits a chain compound formed from the interconnection of [Mn2(Hcf)2(μ-CO2)2] dimers with bpda ligands. Compounds 5 and 6 are similar chain compounds constructed from [Mn(Hppa)2] (or [Mn(Hlome)2]) fragments linked by bpdc ligands. The magnetic properties of 4 have been studied, which indicate the existence of antiferromagnetic interactions. Furthermore, the luminescent properties of compound 3 are discussed.

  8. Single-Layered Hybrid Materials Based on 1D Associated Metalorganic Nanoribbons for Controlled Release of Pheromones.

    PubMed

    Moreno, José María; Navarro, Ismael; Díaz, Urbano; Primo, Jaime; Corma, Avelino

    2016-09-01

    A new family of stable layered organic-inorganic materials has been prepared, in one-step solvothermal process. They are based on an ordered nickel cluster-type nanoribbons separated from each other by specific alkyl (heptyl- or dodecyl-) arylic mono-carboxylate moieties acting as molecular spacers, perpendicular to the 1D inorganic chains. These organic spacers contain hydrocarbon tails with different length which control the separation level between inorganic 1D sub-units, inhibiting the 3D growth of conventional DUT-8-type metal-organic frameworks (MOFs). The lamellar nature of the materials formed was studied and confirmed by different characterization techniques, showing the structural location of individual organic and inorganic building units. They have been successfully used as a long-lasting biodegradable and water-proof materials for controlled release of chemicals, such as pheromones for sustainable treatment of insect plagues. PMID:27444798

  9. Regulation of CD1d expression by murine tumor cells: escape from immunosurveillance or alternate target molecules?

    PubMed

    Fiedler, Tim; Walter, Wolfgang; Reichert, Torsten E; Maeurer, Markus J

    2002-03-20

    alpha beta+ TCR T cells recognize peptide fragments displayed by MHC-class I or -class II molecules. Recently, additional mechanisms of antigen recognition by T cells have been identified, including CD1-mediated presentation of nonpeptide antigens. Only a limited number of CD1 antigens is retained in the mouse, i.e., the group II CD1 antigens, which are split into CD1D1 and CD1d2. Several T cell subsets have been shown to interact with murine CD1 antigens, including NK cells or "natural T cells" with the invariant V alpha 14 J alpha 281 TCR chain. Even if TAP defects may prevent classical endogenous antigen presentation in tumor cell lines, antigen presentation via CD1 is still functional. Therefore, CD1-mediated recognition of transformed cells by NK cells or "natural T cells" may represent an alternative way for immune surveillance. CD1 cell surface expression in murine tumor cell lines of different histology, including the B cell lymphoma A20, macrophage cell lines J774 and P388D1, mastocytoma P815, thymoma EL-4, melanoma B16, colon adenocarcinoma MC-38 and renal carcinoma Renca is regulated by Th1- (IFN-gamma), Th2- (IL-4, IL-10 and vIL-10) or GM-CSF (Th1/Th2) cytokines, depending on the tumor histology. In order to distinguish between CD1D1 and CD1d2 molecules, we examined differential expression of these CD1 isoforms by ratio RT-PCR: A20, EL-4, P815 and MC-38 cells exclusively express CD1D1 transcripts but not CD1D2 mRNA independent of cytokine treatment. Decreased CD1d expression leads to reduced immune recognition of CD1d+ tumor cells by freshly isolated NK1.1(+) effector cells as defined by cytolysis and IFN-gamma release. Thus, modulation of CD1 expression on tumor cells by cytokines may be advantageous to drive cellular anti-tumor antigen directed immune responses directed against TAP-independent, non-classical MHC restricting molecules. PMID:11920590

  10. Structural, electronic and magnetic properties of hcp Fe, Co and Ni nanowires encapsulated in zigzag carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Xie, Y.; Zhang, J. M.; Huo, Y. P.

    2011-06-01

    The structural, electronic and magnetic properties of hcp transition metal (TM = Fe, Co or Ni) nanowires TM4 encapsulated inside zigzag nanotubes C( m, 0) ( m = 7, 8, 9, 10, 11 or 12), along with TM n ( n = 4, 10 or 13) encapsulated inside C(12, 0), have been systematically investigated using the first-principle calculations. The results show that the TM nanowires can be inserted inside a variety of zigzag carbon nanotubes (CNTs) exothermically, except from the systems TM4@(7, 0) and TM13@(12, 0) which are endothermic. The charge is transferred from TM nanowires to CNTs, and the transferred charge increases with decreasing CNT diameter or increasing nanowire thickness. The magnetic moments of hybrid systems are smaller than those of the freestanding TM nanowires, especially for the atoms on the outermost shell of the nanowires. The magnetic moment per TM atom of TM/CNT system increases with increasing CNT diameter or decreasing nanowire thickness. Both the density of states and spin charge density analysis show that the spin polarization and the magnetic moments of all hybrid systems mainly originate from the TM nanowires, implying these systems can be applied in magnetic data storage devices.

  11. Influence of zigzag edges on the Ruderman-Kittel-Kasuya-Yosida interaction between magnetic impurities in graphene nanoribbons

    SciTech Connect

    Akbari-Sharbaf, A. Cottam, M. G.

    2014-11-21

    Localized magnetic impurity centres in graphene can interact through the π-electrons, leading to an effective Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction. A RKKY-type study is presented for graphene ribbons with zigzag edges. Specifically investigations of how the edges modify the interaction between two localized magnetic moments are made by using a tight-binding Hamiltonian to describe the hopping of the π-electrons between adjacent sites and a contact term for interactions with the localized moments. In terms of a Green's function formalism for the excitation spectrum, which comprises modified bulk modes and two different types of localized edge modes, explicit analytical expressions are obtained for the RKKY interaction for any two magnetic sites on the graphene ribbon. The results enable us to determine the RKKY contributions that arise individually from the bulk-like modes and from the two types of edge modes in the zigzag geometry. The importance of these contributions varies depending on the proximity of the magnetic impurities to each other and to an edge.

  12. Evolution of a major segmented normal fault during multiphase rifting: The origin of plan-view zigzag geometry

    NASA Astrophysics Data System (ADS)

    Henstra, Gijs A.; Rotevatn, Atle; Gawthorpe, Robert L.; Ravnås, Rodmar

    2015-05-01

    This case study addresses fault reactivation and linkage between distinct extensional episodes with variable stretching direction. Using 2-D and 3-D seismic reflection data we demonstrate how the Vesterdjupet Fault Zone, one of the basin-bounding normal fault zones of the Lofoten margin (north Norway), evolved over c. 150 Myr as part of the North Atlantic rift. This fault zone is composed of NNE-SSW- and NE-SW-striking segments that exhibit a zigzag geometry. The structure formed during Late Jurassic and Early Cretaceous rifting from selective reactivation and linkage of Triassic faults. A rotation of the overall stress field has previously been invoked to have taken place between the Triassic and Jurassic rift episodes along the Lofoten margin. A comparison to recent physical analogue models of non-coaxial extension reveals that this suggested change in least principal stress for the Lofoten margin may best explain the zigzag-style linkage of the Triassic faults, although alternative models cannot be ruled out. This study underlines the prediction from physical models that the location and orientation of early phase normal faults can play a pivotal role in the evolution of subsequent faults systems in multi-rift systems.

  13. Influence of zigzag edges on the Ruderman-Kittel-Kasuya-Yosida interaction between magnetic impurities in graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Akbari-Sharbaf, A.; Cottam, M. G.

    2014-11-01

    Localized magnetic impurity centres in graphene can interact through the π-electrons, leading to an effective Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction. A RKKY-type study is presented for graphene ribbons with zigzag edges. Specifically investigations of how the edges modify the interaction between two localized magnetic moments are made by using a tight-binding Hamiltonian to describe the hopping of the π-electrons between adjacent sites and a contact term for interactions with the localized moments. In terms of a Green's function formalism for the excitation spectrum, which comprises modified bulk modes and two different types of localized edge modes, explicit analytical expressions are obtained for the RKKY interaction for any two magnetic sites on the graphene ribbon. The results enable us to determine the RKKY contributions that arise individually from the bulk-like modes and from the two types of edge modes in the zigzag geometry. The importance of these contributions varies depending on the proximity of the magnetic impurities to each other and to an edge.

  14. Laminin alpha1 chain mediated reduction of laminin alpha2 chain deficient muscular dystrophy involves integrin alpha7beta1 and dystroglycan.

    PubMed

    Gawlik, Kinga I; Mayer, Ulrike; Blomberg, Kristina; Sonnenberg, Arnoud; Ekblom, Peter; Durbeej, Madeleine

    2006-03-20

    Transgenically introduced laminin (LN) alpha1 chain prevents muscular dystrophy in LNalpha2 chain deficient mice. We now report increased integrin alpha7Bbeta1D synthesis in dystrophic LNalpha2 chain deficient muscle. Yet, immunofluorescence demonstrated a reduced expression of integrin alpha7B subunit at the sarcolemma. Transgenic expression of LNalpha1 chain reconstituted integrin alpha7B at the sarcolemma. Expression of alpha- and beta-dystroglycan is enhanced in LNalpha2 chain deficient muscle and normalized by transgenic expression of LNalpha1 chain. We suggest that LNalpha1 chain in part ameliorates the development of LNalpha2 chain deficient muscular dystrophy by retaining the binding sites for integrin alpha7Bbeta1D and alpha-dystroglycan, respectively. PMID:16504180

  15. Exotic low-energy separation in 1D quantum liquids

    SciTech Connect

    Carmelo, J.M.P.; Neto, A.H.C.; Campbell, D.K.

    1995-05-01

    We define the low-energy separation of the Hubbard chain in a magnetic field and chemical potential in terms of two {open_quotes}c{close_quotes} and {open_quotes}s{close_quotes} bosonic algebras. This generalizes the usual charge-spin separation, which is recovered in the limit of zero magnetization only. The corresponding pseudoparticle bosonization follows directly from the perturbative character of the pseudoparticle operator basis.

  16. Heat transfer and pressure drop correlations of microchannel heat exchangers with S-shaped and zigzag fins for carbon dioxide cycles

    SciTech Connect

    Ngo, Tri Lam; Kato, Yasuyoshi; Nikitin, Konstantin; Ishizuka, Takao

    2007-11-15

    A new microchannel heat exchanger (MCHE) with S-shaped fins was developed using the three-dimensional computational fluid dynamics (3D CFD) FLUENT code. The MCHE provided 6-7 times lower pressure drop while maintaining heat-transfer performance that was almost equivalent to that of a conventional MCHE with zigzag fins. This study was done to confirm the simulation results of thermal-hydraulic performance using a supercritical carbon dioxide loop, and to propose empirical correlations of Nusselt numbers and pressure-drop factors for a new MCHE with S-shaped fins and a conventional one with zigzag fins. This study is also intended to confirm the independence of Pr obtained in the previous study by widely varying Pr from 0.75 to 2.2. Experimental results show that the pressure-drop factor of the MCHEs with S-shaped fins is 4-5 times less than that of MCHE with zigzag fins, although Nu is 24-34% less, depending on the Re within its range. The Nusselt number correlations are expressed, respectively as Nu{sub S-shaped} {sub fins} = 0.1740 Re{sup 0.593}Pr{sup 0.430} and Nu{sub zigzag} {sub fins} = 0.1696 Re{sup 0.629}Pr{sup 0.317} for the MCHE with S-shaped and zigzag fins, and their pressure-drop factors are given as f{sub S-shaped} {sub fins} = 0.4545 Re{sup -0.340} and f{sub zigzag} {sub fins} = 0.1924 Re{sup -0.091}. The Nu correlation of the MCHE with S-shaped fins reproduces the experimental data of overall heat transfer coefficients with a standard deviation (1 sigma) of {+-}2.3%, although it is {+-}3.0% for the MCHE with zigzag fins. The calculated pressure drops obtained from pressure-drop factor correlations agree with the experimental data within a standard deviation of {+-}16.6% and {+-}13.5% for the MCHEs with S-shaped and zigzag fins, respectively. (author)

  17. Design of natural killer T cell activators: Structure and function of a microbial glycosphingolipid bound to mouse CD1d

    PubMed Central

    Wu, Douglass; Zajonc, Dirk M.; Fujio, Masakazu; Sullivan, Barbara A.; Kinjo, Yuki; Kronenberg, Mitchell; Wilson, Ian A.; Wong, Chi-Huey

    2006-01-01

    Natural killer T (NKT) cells provide an innate-type immune response upon T cell receptor interaction with CD1d-presented antigens. We demonstrate through equilibrium tetramer binding and antigen presentation assays with Vα14i-positive NKT cell hybridomas that the Sphingomonas glycolipid α-galacturonosyl ceramide (GalA-GSL) is a NKT cell agonist that is significantly weaker than α-galactosylceramide (α-GalCer), the most potent known NKT agonist. For GalA-GSL, a shorter fatty acyl chain, an absence of the 4-OH on the sphingosine tail and a 6′-COOH group on the galactose moiety account for its observed antigenic potency. We further determined the crystal structure of mCD1d in complex with GalA-GSL at 1.8-Å resolution. The overall binding mode of GalA-GSL to mCD1d is similar to that of the short-chain α-GalCer ligand PBS-25, but its sphinganine chain is more deeply inserted into the F′ pocket due to alternate hydrogen-bonding interactions between the sphinganine 3-OH with Asp-80. Subsequently, a slight lateral shift (>1 Å) of the galacturonosyl head group is noted at the CD1 surface compared with the galactose of α-GalCer. Because the relatively short C14 fatty acid of GalA-GSL does not fully occupy the A′ pocket, a spacer lipid is found that stabilizes this pocket. The lipid spacer was identified by GC/MS as a mixture of saturated and monounsaturated palmitic acid (C16). Comparison of available crystal structures of α-anomeric glycosphingolipids now sheds light on the structural basis of their differential antigenic potency and has led to the design and synthesis of NKT cell agonists with enhanced cell-based stimulatory activities compared with α-GalCer. PMID:16537470

  18. Quadratic Finite Element Method for 1D Deterministic Transport

    SciTech Connect

    Tolar, Jr., D R; Ferguson, J M

    2004-01-06

    In the discrete ordinates, or SN, numerical solution of the transport equation, both the spatial ({und r}) and angular ({und {Omega}}) dependences on the angular flux {psi}{und r},{und {Omega}}are modeled discretely. While significant effort has been devoted toward improving the spatial discretization of the angular flux, we focus on improving the angular discretization of {psi}{und r},{und {Omega}}. Specifically, we employ a Petrov-Galerkin quadratic finite element approximation for the differencing of the angular variable ({mu}) in developing the one-dimensional (1D) spherical geometry S{sub N} equations. We develop an algorithm that shows faster convergence with angular resolution than conventional S{sub N} algorithms.

  19. Electron Energy Levels in the 1D-2D Transition

    NASA Astrophysics Data System (ADS)

    Pepper, Michael; Sanjeev, Kumar; Thomas, Kalarikad; Creeth, Graham; English, David; Ritchie, David; Griffiths, Jonathan; Farrer, Ian; Jones, Geraint

    Using GaAs-AlGaAs heterostructures we have investigated the behaviour of electron energy levels with relaxation of the potential confining a 2D electron gas into a 1D configuration. In the ballistic regime of transport, when the conductance shows quantized plateaux, different types of behaviour are found according to the spins of interacting levels, whether a magnetic field is applied and lifting of the momentum degeneracy with a source-drain voltage. We have observed both crossing and anti-crossing of levels and have investigated the manner in which they can be mutually converted. In the presence of a magnetic field levels can cross and lock together as the confinement is altered in a way which is characteristic of parallel channels. The overall behaviour is discussed in terms of electron interactions and the wavefunction flexibility allowed by the increasing two dimensionality of the electron distribution as the confinement is weakened. Work supported by UK EPSRC.

  20. Directed enzymatic activation of 1-D DNA tiles.

    PubMed

    Garg, Sudhanshu; Chandran, Harish; Gopalkrishnan, Nikhil; LaBean, Thomas H; Reif, John

    2015-02-24

    The tile assembly model is a Turing universal model of self-assembly where a set of square shaped tiles with programmable sticky sides undergo coordinated self-assembly to form arbitrary shapes, thereby computing arbitrary functions. Activatable tiles are a theoretical extension to the Tile assembly model that enhances its robustness by protecting the sticky sides of tiles until a tile is partially incorporated into a growing assembly. In this article, we experimentally demonstrate a simplified version of the Activatable tile assembly model. In particular, we demonstrate the simultaneous assembly of protected DNA tiles where a set of inert tiles are activated via a DNA polymerase to undergo linear assembly. We then demonstrate stepwise activated assembly where a set of inert tiles are activated sequentially one after another as a result of attachment to a growing 1-D assembly. We hope that these results will pave the way for more sophisticated demonstrations of activated assemblies. PMID:25625898

  1. Robust recognition of 1D barcodes using Hough transform

    NASA Astrophysics Data System (ADS)

    Dwinell, John; Bian, Peng; Bian, Long Xiang

    2012-01-01

    In this paper we present an algorithm for the recognition of 1D barcodes using the Hough transform, which is highly robust regarding the typical degraded image. The algorithm addresses various typical image distortions, such as inhomogeneous illumination, reflections, damaged barcode or blurriness etc. Other problems arise from recognizing low quality printing (low contrast or poor ink receptivity). Traditional approaches are unable to provide a fast solution for handling such complex and mixed noise factors. A multi-level method offers a better approach to best manage competing constraints of complex noise and fast decode. At the lowest level, images are processed in gray scale. At the middle level, the image is transformed into the Hough domain. At the top level, global results, including missing information, is processed within a global context including domain heuristics as well as OCR. The three levels work closely together by passing information up and down between levels.

  2. Axion string dynamics I: 2+1D

    NASA Astrophysics Data System (ADS)

    Fleury, Leesa M.; Moore, Guy D.

    2016-05-01

    If the axion exists and if the initial axion field value is uncorrelated at causally disconnected points, then it should be possible to predict the efficiency of cosmological axion production, relating the axionic dark matter density to the axion mass. The main obstacle to making this prediction is correctly treating the axion string cores. We develop a new algorithm for treating the axionic string cores correctly in 2+1 dimensions. When the axionic string cores are given their full physical string tension, axion production is about twice as efficient as in previous simulations. We argue that the string network in 2+1 dimensions should behave very differently than in 3+1 dimensions, so this result cannot be simply carried over to the physical case. We outline how to extend our method to 3+1D axion string dynamics.

  3. Effective theory of black holes in the 1/D expansion

    NASA Astrophysics Data System (ADS)

    Emparan, Roberto; Shiromizu, Tetsuya; Suzuki, Ryotaku; Tanabe, Kentaro; Tanaka, Takahiro

    2015-06-01

    The gravitational field of a black hole is strongly localized near its horizon when the number of dimensions D is very large. In this limit, we can effectively replace the black hole with a surface in a background geometry (e.g. Minkowski or Anti-deSitter space). The Einstein equations determine the effective equations that this `black hole surface' (or membrane) must satisfy. We obtain them up to next-to-leading order in 1/ D for static black holes of the Einstein-(A)dS theory. To leading order, and also to next order in Minkowski backgrounds, the equations of the effective theory are the same as soap-film equations, possibly up to a redshift factor. In particular, the Schwarzschild black hole is recovered as a spherical soap bubble. Less trivially, we find solutions for `black droplets', i.e. black holes localized at the boundary of AdS, and for non-uniform black strings.

  4. A 1-D morphodynamic model of postglacial valley incision

    NASA Astrophysics Data System (ADS)

    Tunnicliffe, Jon F.; Church, Michael

    2015-11-01

    Chilliwack River is typical of many Cordilleran valley river systems that have undergone dramatic Holocene degradation of valley fills that built up over the course of Pleistocene glaciation. Downstream controls on base level, mainly blockage of valleys by glaciers, led to aggradation of significant glaciofluvial and glaciolacustrine valley fills and fan deposits, subsequently incised by fluvial action. Models of such large-scale, long-term degradation present a number of important challenges since the evolution of model parameters, such as the rate of bedload transport and grain size characteristics, are governed by the nature of the deposit. Sediment sampling in the Chilliwack Valley reveals a complex sequence of very coarse to fine textural modes. We present a 1-D numerical morphodynamic model for the river-floodplain system tailored to conditions in the valley. The model is adapted to dynamically adjust channel width to optimize sediment transporting capacity and to integrate relict valley fill material as the channel incises through valley deposits. Sensitivity to model parameters is studied using four principal criteria: profile concavity, rate of downstream grain size fining, bed surface sand content, and the timescale to equilibrium. Model results indicate that rates of abrasion and coarsening of the grain size distributions exert the strongest controls on all of the interrelated model performance criteria. While there are a number of difficulties in satisfying all model criteria simultaneously, results indicate that 1-D models of valley bottom sedimentary systems can provide a suitable framework for integrating results from sediment budget studies and chronologies of sediment evacuation established from dating.

  5. Crater Chains

    NASA Technical Reports Server (NTRS)

    2003-01-01

    [figure removed for brevity, see original site]

    The large crater at the top of this THEMIS visible image has several other craters inside of it. Most noticeable are the craters that form a 'chain' on the southern wall of the large crater. These craters are a wonderful example of secondary impacts. They were formed when large blocks of ejecta from an impact crashed back down onto the surface of Mars. Secondaries often form radial patterns around the impact crater that generated them, allowing researchers to trace them back to their origin.

    Note: this THEMIS visual image has not been radiometrically nor geometrically calibrated for this preliminary release. An empirical correction has been performed to remove instrumental effects. A linear shift has been applied in the cross-track and down-track direction to approximate spacecraft and planetary motion. Fully calibrated and geometrically projected images will be released through the Planetary Data System in accordance with Project policies at a later time.

    NASA's Jet Propulsion Laboratory manages the 2001 Mars Odyssey mission for NASA's Office of Space Science, Washington, D.C. The Thermal Emission Imaging System (THEMIS) was developed by Arizona State University, Tempe, in collaboration with Raytheon Santa Barbara Remote Sensing. The THEMIS investigation is led by Dr. Philip Christensen at Arizona State University. Lockheed Martin Astronautics, Denver, is the prime contractor for the Odyssey project, and developed and built the orbiter. Mission operations are conducted jointly from Lockheed Martin and from JPL, a division of the California Institute of Technology in Pasadena.

    Image information: VIS instrument. Latitude 19.3, Longitude 347.5 East (12.5 West). 19 meter/pixel resolution.

  6. Evidencing the existence of intrinsic half-metallicity and ferromagnetism in zigzag gallium sulfide nanoribbons

    PubMed Central

    Zhou, Yungang; Li, Sean; Zhou, Weilie; Zu, Xiaotao; Gao, Fei

    2014-01-01

    The achievement of half-metallicity with ferromagnetic (FM) coupling has become a key technology for the development of one-dimensional (1D) nanoribbons for spintronic applications. Unfortunately, in previous studies, such a half-metallicity always occurs upon certain external constraints. Here we, for the first time, demonstrate, via density functional theory (DFT), that the recent experimentally realized gallium sulfide nanoribbons (GaSNRs) can display an intrinsic half-metallic character with FM coupling, raised from Ga-4s, Ga-4p and S-3p states at the Ga-dominated edge. Furthermore, the novel half-metallic behavior with FM coupling here is rather robust, especially for GaSNRs with large width and thickness, and can be sustained to the room temperature. Thus, our results accidentally disclose a new 1D spin nanomaterial, which allows us to go beyond the current scope limited to the graphene, boron nitride (BN), zinc oxide (ZnO) and molybdenum sulfide (MoS2) nanoribbons, toward more realistic spintronic applications. PMID:25047122

  7. Influence of Ag+ interaction on 1D droplet array spacing and the repulsive forces between stimuli-responsive nanoemulsion droplets.

    PubMed

    Mahendran, V; Philip, John

    2014-09-01

    This paper reports results on the effect of interaction of Ag(+) on 1D droplet array spacing and the repulsive forces between stimuli-responsive nanoemulsion droplets, stabilized with an anionic surfactant--sodium dodecyl sulfate--and a diblock polymer--poly(vinyl alcohol)-vinyl acetate. The repulsive interaction is probed by measuring the in-situ equilibrium force-distance in the presence of Ag(+) using the magnetic chaining technique. At a constant static magnetic field, emulsion droplets form 1D array that diffract visible light. A large blue-shift in the diffracted light is observed in the presence of interacting Ag(+) because of the reduction in the interdroplet spacing within the 1D array. The in-situ equilibrium force-distance measurement results show that the onset of repulsions and magnitude of repulsive forces are strongly influenced by the presence of Ag(+) in ppb levels. This suggests that the Ag(+) ions screen the surface charges through the formation of both Stern and diffuse electric double layer and produces a dramatic blue-shift in surfactant-stabilized emulsion, whereas a dramatic conformational change in the adsorbed polymer layer causes a reduction in the 1D array spacing in the diblock polymer stabilized emulsion. The force-distance results are compared with the predictions of electrical double-layer and repulsive steric forces. The droplet array shows an excellent selectivity to Ag(+) due to the strong interaction of Ag(+) with the stabilizing moieties at the oil-water interface. The possible mechanisms of interaction of Ag(+) with surfactant and polymer are discussed. The dramatic decrease in the 1D array spacing in the presence of Ag(+) may find promising practical applications in the development of optical sensors for selective detection of cations with ultrahigh sensitivity. PMID:25105903

  8. The complex metal-rich boride Ti{sub 1+x}Rh{sub 2-x+y}Ir{sub 3-y}B{sub 3} (x=0.68, y=1.06) with a new structure type containing B{sub 4} zigzag fragments: Synthesis, crystal chemistry and theoretical calculations

    SciTech Connect

    Goerens, Christian; Fokwa, Boniface P.T.

    2012-08-15

    Polycrystalline samples and single crystals of the new complex boride Ti{sub 1+x}Rh{sub 2-x+y}Ir{sub 3-y}B{sub 3} (x=0.68; y=1.06) were synthesized by arc-melting the elements in a water-cooled copper crucible under an argon atmosphere and characterized by X-Ray diffraction as well as EDX measurements. The crystal structure was refined on the basis of single crystal data. The new phase, which represents a new structure type containing trans zigzag B{sub 4} fragments as well as isolated boron atoms crystallizes in the orthorhombic space group Pbam (Nr. 55) with the lattice parameters a=8.620(1) A, b=14.995(2) A and c=3.234(1) A. First-principles density functional theory calculations using the Vienna ab-initio simulation package (VASP) were performed on an appropriate structural model (using a supercell approach) and the experimental crystallographic data could be reproduced accurately. Based on this model, the density of states and crystal orbital Hamilton population (for bonding analysis) were calculated, using the linear muffin-tin orbital atomic sphere approximation (LMTO-ASA) method. According to these calculations, this metal-rich compound should be metallic, as expected. Furthermore, very strong boron-boron interactions are observed in the trans zigzag B{sub 4} fragment, which induce a clear differentiation of two types of metal-boron contacts with different strength. The observed three-dimensional metal-metal interaction is in good agreement with the predicted metallic behavior. - graphical abstract: The structure of Ti{sub 1.68(2)}Rh{sub 2.38(6)}Ir{sub 1.94(4)} B{sub 3}, a new structure type containing planar trans zigzag B{sub 4} units, is another example which illustrates the tendency of metal-rich borides to form B-B bonds with increasing boron content. Beside the B{sub 4} fragment it exhibits one-dimensional chains of titanium atoms and hold one-dimensional strings of face-sharing empty tetrahedral and square pyramidal clusters (see figure). Highlights

  9. 3D/1D Analysis of ICRF Antennas

    NASA Astrophysics Data System (ADS)

    Maggiora, Riccardo; Lancellotti, Vito; Vecchi, Giuseppe

    2003-10-01

    An innovative tool has been realized for the 3D/1D simulation of Ion Cyclotron Radio Frequency (ICRF), i.e. accounting for antennas in a realistic 3D geometry and with an accurate 1D plasma model. The approach to the problem is based on an integral-equation formulation for the self-consistent evaluation of the current distribution on the conductors. The environment has been subdivided in two coupled region: the plasma region and the vacuum region. The two problems are linked by means of a magnetic current (electric field) distribution on the aperture between the two regions. In the vacuum region all the calculations are executed in the spatial domain while in the plasma region an extraction in the spectral domain of some integrals is employed that permits to significantly reduce the integration support and to obtain a high numerical efficiency leading to the practical possibility of using a large number of sub-domain (rectangular or triangular) basis functions on each solid conductor of the system. The plasma enters the formalism of the plasma region via a surface impedance matrix; for this reason any plasma model can be used; at present the FELICE code has been adopted, that affords density and temperature profiles, and FLR effects. The source term directly models the TEM mode of the coax feeding the antenna and the current in the coax is determined self-consistently, giving the input impedance/admittance of the antenna itself. Calculation of field distributions (both magnetic and electric), useful for sheath considerations, is included. This tool has been implemented in a suite, called TOPICA, that is modular and applicable to ICRF antenna structures of arbitrary shape. This new simulation tool can assist during the detailed design phase and for this reason can be considered a "Virtual Prototyping Laboratory" (VPL). The TOPICA suite has been tested against assessed codes and against measurements and data of mock-ups and existing antennas. The VPL is being used in

  10. Modulation of the electron transport properties in graphene nanoribbons doped with BN chains

    SciTech Connect

    Liu, Wu; Zhang, Kaiwang Zhong, JianXin; Wang, Ru-Zhi; Liu, Li-Min

    2014-06-15

    Using density-functional theory and the non-equilibrium Green's function method, the electron transport properties of zigzag graphene nanoribbons (ZGNRs) doped with BN chains are studied by systematically calculating the energy band structure, density of states and the transmission spectra for the systems. The BN chains destroyed the electronic transport properties of the ZGNRs, and an energy gap appeared for the ZGNRs, and displayed variations from a metal to a wide-gap semiconductor. With an increase in the number of BN chains, the band gap increased gradually in the band structure and the transmission coefficient decreased near the Fermi surface. Additionally, the doping position had a significant effect on the electronic properties of the ZGNRs.

  11. Dynamic decoupling in the presence of 1D random walk

    NASA Astrophysics Data System (ADS)

    Chakrabarti, Arnab; Chakraborty, Ipsita; Bhattacharyya, Rangeet

    2016-05-01

    In the recent past, many dynamic decoupling sequences have been proposed for the suppression of decoherence of spins connected to thermal baths of various natures. Dynamic decoupling schemes for suppressing decoherence due to Gaussian diffusion have also been developed. In this work, we study the relative performances of dynamic decoupling schemes in the presence of a non-stationary Gaussian noise such as a 1D random walk. Frequency domain analysis is not suitable to determine the performances of various dynamic decoupling schemes in suppressing decoherence due to such a process. Thus, in this work, we follow a time domain calculation to arrive at the following conclusions: in the presence of such a noise, we show that (i) the traditional Carr–Purcell–Meiboom–Gill (CPMG) sequence outperforms Uhrig’s dynamic decoupling scheme, (ii) CPMG remains the optimal sequence for suppression of decoherence due to random walk in the presence of an external field gradient. Later, the theoretical predictions are experimentally verified by using nuclear magnetic resonance spectroscopy on spin 1/2 particles diffusing in a liquid medium.

  12. 1-D Numerical Analysis of RBCC Engine Performance

    NASA Technical Reports Server (NTRS)

    Han, Samuel S.

    1998-01-01

    An RBCC engine combines air breathing and rocket engines into a single engine to increase the specific impulse over an entire flight trajectory. Considerable research pertaining to RBCC propulsion was performed during the 1960's and these engines were revisited recently as a candidate propulsion system for either a single-stage-to-orbit (SSTO) or two-stage-to-orbit (TSTO) launch vehicle. There are a variety of RBCC configurations that had been evaluated and new designs are currently under development. However, the basic configuration of all RBCC systems is built around the ejector scramjet engine originally developed for the hypersonic airplane. In this configuration, a rocket engine plays as an ejector in the air-augmented initial acceleration mode, as a fuel injector in scramjet mode and the rocket in all rocket mode for orbital insertion. Computational fluid dynamics (CFD) is a useful tool for the analysis of complex transport processes in various components in RBCC propulsion systems. The objective of the present research was to develop a transient 1-D numerical model that could be used to predict flow behavior throughout a generic RBCC engine following a flight path.

  13. Spectral functions of 1D Peierls and Mott insulators

    NASA Astrophysics Data System (ADS)

    Voit, Johannes

    1998-03-01

    We construct the spectral function of the Luther-Emery model which describes one-dimensional Peierls and Mott insulators with a spin resp. charge gap, using symmetries and known limits and equivalences to other models. For the Peierls insulator, we find a true singularity with interaction dependent exponents on the gapped spin dispersion and a finite maximum depending on the magnitude of the spin gap, on a charge dispersion shifted by Δ_σ, as well as strong shadow bands with the same functional form as the main bands. For 1D Mott insulators, one or two singularities with universal inverse-square-root singularities are found depending on whether the charge velocity is larger or smaller than the spin velocity. The shadow band has a single singularity on the renormalized charge dispersion. These results could apply to the description of photoemission experiments in systems like K_0.3 Mo O_3, TTF-TCNQ, or Sr Cu O_2.

  14. 1D X-ray Beam Compressing Monochromators

    SciTech Connect

    Korytar, D.; Dobrocka, E.; Konopka, P.; Zaprazny, Z.; Ferrari, C.; Mikulik, P.; Vagovic, P.; Ac, V.; Erko, A.; Abrosimov, N.

    2010-04-06

    A total beam compression of 5 and 10 corresponding to the asymmetry angles of 9 deg. and 12 deg. is achieved with V-5 and V-10 monochromators, respectively, in standard single crystal pure germanium (220) X-ray beam compressing (V-shaped) monochromators for CuKalpha{sub 1} radiation. A higher 1D compression of X-ray beam is possible using larger angles of asymmetry, however it is achieved at the expense of the total intensity, which is decreased due to the refraction effect. To increase the monochromator intensity, several ways are considered both theoretically and experimentally. Linearly graded germanium rich Ge{sub x}Si{sub (1-x)} single crystal was used to prepare a V-21 single crystal monochromator with 15 deg. asymmetry angles (compression factor of 21). Its temperature gradient version is discussed for CuKalpha{sub 1} radiation. X-ray diffraction measurements on the graded GeSi monochromator showed more than 3-times higher intensity at the output compared with that of a pure Ge monochromator.

  15. Graphs on uniform points in [0,1]d

    NASA Astrophysics Data System (ADS)

    Appel, Martin J. B.; Russo, Ralph P.; Yang, King J.

    1995-06-01

    Statistical problems in pattern or structure recognition for a random multidimensional point set may be addressed by variations on the random graph model of Erdos and Renyui. The imposition of graph structure with a variable edge criterion on a large random point set allows a search for signature quantities or behavior under the given distributional hypothesis. The work is motivated by the question of how to make statistical inferences from sensed mine field data. This article describes recent results obtained in the following special cases. On independent random points U1,...,Un distributed uniformly on [0,1]d, a random graph Gn(x) is constructed in which two distinct such points are joined by an edge if the l(infinity )-distance between them is at most some prescribed value 0 = 2.

  16. 1-D Modeling of Massive Particle Injection (MPI) in Tokamaks

    NASA Astrophysics Data System (ADS)

    Wu, W.; Parks, P. B.; Izzo, V. A.

    2008-11-01

    A 1-D Fast Current Quench (FCQ) model is developed to study current evolution and runaway electron suppression under massive density increase. The model consists of coupled toroidal electric field and energy equations, and it is solved numerically for DIII-D and ITER operating conditions. Simulation results suggest that fast shutdown by D2 liquid jet/pellet injection is in principle achievable for the desired plasma cooling time (˜15 ms for DIII-D and ˜50 ms for ITER) under ˜150x or higher densification. The current density and pressure profile are practically unaltered during the initial phase of jet propagation when dilution cooling dominates. With subsequent radiation cooling, the densified discharge enters the strongly collisional regime where Pfirsch-Schluter thermal diffusion can inhibit current contraction on the magnetic axis. Often the 1/1 kink instability, addressed by Kadomtsev's magnetic reconnection model, can be prevented. Our results are compared with NIMROD simulations in which the plasma is suddenly densified by ˜100x and experiences instantaneous dilution cooling, allowing for use of actual (lower) Lundquist numbers.

  17. Effective-range signatures in quasi-1D matter waves: sound velocity and solitons

    NASA Astrophysics Data System (ADS)

    Sgarlata, F.; Mazzarella, G.; Salasnich, L.

    2015-06-01

    We investigate ultracold and dilute bosonic atoms under strong transverse harmonic confinement using a 1D modified Gross-Pitaevskii equation (1D MGPE), which accounts for the energy dependence of the two-body scattering amplitude within an effective-range expansion. We study sound waves and solitons of the quasi-1D system, comparing the 1D MGPE results with the 1D GPE ones. We find that when the finite-size nature of the interaction is taken into account, the speed of sound and the density profiles of both dark and bright solitons show relevant quantitative changes with respect to predictions given by the standard 1D GPE.

  18. A first-principles study of electronic properties of H and F-terminated zigzag BNC nanoribbons

    NASA Astrophysics Data System (ADS)

    Alaal, Naresh; Medhekar, Nikhil; Shukla, Alok

    2016-05-01

    Nanoribbons are quasi one-dimensional structures which have interesting electronic properties on the basis of their edge geometries, and width. We studied the electronic properties of hydrogen and fluorine-terminated zigzag BNC nanoribbons (BNCNRs) using a first-principles based density functional theory approach. We considered BNCNRs that were composed of an equal number of C-C and B-N dimers; one of the edges ends with an N atom and opposite edge ends with a C atom. These two edge atoms are passivated by H or F atoms. Our results suggest that hydrogen-terminated BNCNRs (H-BNCNRs) and flourine-terminated BNCNRs (F-BNCNRs) have different electronic properties. H-BNCNRs exhibit intrinsic half-metallic behavior while F-BNCNRs are indirect band gap semiconductors. Chemical functionalization of BNCNRs with H and F atoms show that BNCNRs have a diverse range of electronic properties.

  19. Transport properties of bare and hydrogenated zigzag silicene nanoribbons: Negative differential resistances and perfect spin-filtering effects

    SciTech Connect

    Yang, X. F.; Liu, Y. S. Feng, J. F.; Wang, X. F.; Zhang, C. W.; Chi, F.

    2014-09-28

    Ab initio calculations are performed to investigate the spin-polarized transport properties of the bare and hydrogenated zigzag silicene nanoribbons (ZSiNRs). The results show that the ZSiNRs with symmetric (asymmetric) edges prefer the ferromagnetic (antiferromagnetic) as their ground states with the semiconductor properties, while the accordingly antiferromagnetic (ferromagnetic) states exhibit the metallic behaviors. These facts result in a giant magnetoresistance behavior between the ferromagnetic and antiferromagnetic states in the low bias-voltage regime. Moreover, in the ferromagnetic ZSiNRs with asymmetric edges, a perfect spin-filtering effect with 100% positive electric current polarization can be achieved by altering the bias voltage. In addition, we also find that the negative differential resistances prefer the metastable states. The findings here indicate that the asymmetric and symmetric ZSiNRs are promising materials for spintronic applications.

  20. Spin-dependent transport properties of hetero-junction based on zigzag graphene nanoribbons with edge hydrogenation and oxidation

    NASA Astrophysics Data System (ADS)

    Cui, Li-ling; Long, Meng-qiu; Zhang, Xiao-jiao; Li, Xin-mei; Zhang, Dan; Yang, Bing-chu

    2016-02-01

    Using the non-equilibrium Green's function method and the spin-polarized density functional theory, we investigate the magnetism and spin resolved transport properties of hetero-structures based on zigzag graphene nanoribbons (ZGNRs) with edge hydrogenation (H) and oxidation (O). It is found that a perfect spin filtering effect can be realized on O-ZGNR-H/H-ZGNR-H in both parallel and anti-parallel spin configurations. Interestingly, an excellent dual spin filtering behavior can be obtained on O-ZGNR-H/H2-ZGNR-H, which is independent of the width of the nanoribbon. Our results indicate that the hetero-structure holds promise for spintronic devices in future.

  1. Cs3W3PO13: A Tungsten Phosphate with One-Dimensional Zigzag Tunnels Exhibiting Strongly Anisotropic Thermal Expansion.

    PubMed

    Gong, Pifu; Jiang, Xingxing; Yang, Yi; Luo, Siyang; Huang, Rongjin; Li, Laifeng; Chen, Chuangtian; Lin, Zheshuai

    2016-06-01

    A new tungsten phosphate, Cs3W3PO13, is synthesized using the high-temperature flux method. Cs3W3PO13 crystallizes in the space group Pnma and contains one-dimensional zigzag tunnels, which are found for the first time in tungsten phosphate. This highly anisotropic structural feature results in a very strong anisotropic thermal expansion, with thermal expansion coefficients of 14.15 ± 1.11 and 0.72 ± 0.22 M K(-1) along the a and b axes, respectively, over the temperature range from 13 to 270 K. In addition, thermal analysis, UV-vis-near-IR diffuse reflectance, and first-principles electronic structure calculations on Cs3W3PO13 are performed. PMID:27182930

  2. Intrinsic spin dependent and ferromagnetic stability on edge saturated zigzag graphene-like carbon-nitride nanoribbons

    SciTech Connect

    Zhang, Shuai; Li, Chong E-mail: jiayu@zzu.edu.cn; Li, S. F.; Sun, Q.; Jia, Yu E-mail: jiayu@zzu.edu.cn; Guo, Z. X.

    2014-04-28

    Using first-principles calculations, we have investigated the electronic and magnetic properties of zigzag graphene-like carbon-nitride nanoribbons (Zg-CNNRs) with mono- and dihydrogen-terminated edges asymmetrically. The results demonstrate that spin-down channel completely dominates the states adjacent Fermi level, which is an intrinsic feature and can be accounted for the valence band maximum derived from the nonbonding N-(p{sub x},p{sub y}) orbitals, instead of the bonding C/N-p{sub z} π state. Importantly, ferromagnetic ordering is found to be preferred and the magnetism is entirely localized on the N sites of saturated edge due to its stronger electronegativity. Additionally, various edge saturations are further proposed to try to enhance the ferromagnetic ordering and to manipulate the magnetism distributions of Zg-CNNRs.

  3. High-efficiency high-power QCW diode-side-pumped zigzag Nd:YAG ceramic slab laser

    NASA Astrophysics Data System (ADS)

    Chen, Y.; Liu, W.; Bo, Y.; Jiang, B.; Xu, J.; Li, J.; Xu, Y.; Pan, Y.; Xu, J. L.; Feng, X.; Guo, Y.; Shen, Y.; Yang, F.; Yuan, L.; Yuan, H.; Peng, Q.; Cui, D.; Xu, Z.

    2013-04-01

    A high-efficiency high-power diode-side-pumped quasi-continuous wave (QCW) Nd:YAG ceramic slab laser using zigzag optical path was demonstrated. With an integrating sphere technique, the scattering and absorption coefficient of the ceramic slab were measured to be 0.0024 and 0.0016 cm-1 at 1,064 nm, respectively. Under a pump power of 6.69 kW, an average output power of 2.44 kW at 1,064 nm with a repetition rate of 400 Hz was achieved, corresponding to an optical-to-optical efficiency of 36.5 %. As far as we know, this is the highest conversion efficiency reported for QCW side-pumped single slab Nd:YAG ceramic laser.

  4. Designing and building nanowires: directed nanocrystal self-assembly into radically branched and zigzag PbS nanowires

    NASA Astrophysics Data System (ADS)

    Xu, Fan; Ma, Xin; Gerlein, L. Felipe; Cloutier, Sylvain G.

    2011-07-01

    Lead sulfide nanowires with controllable optoelectronic properties would be promising building blocks for various applications. Here, we report the hot colloidal synthesis of radically branched and zigzag nanowires through self-attachment of star-shaped and octahedral nanocrystals in the presence of multiple surfactants. We obtained high-quality single-crystal nanowires with uniform diameter along the entire length, and the size of the nanowire can be tuned by tailoring the reaction parameters. This slow oriented attachment provides a better understanding of the intricacies of this complex nanocrystal assembly process. Meanwhile, these self-assembled nanowire structures have appealing lateral conformations with narrow side arms or highly faceted edges, where strong quantum confinement can occur. Consequently, the single-crystal nanowire structures exhibit strong photoluminescence in the near-infrared region with a large blue-shift compared to the bulk material.

  5. Structure-based design of novel Chlamydomonas reinhardtii D1-D2 photosynthetic proteins for herbicide monitoring

    PubMed Central

    Rea, Giuseppina; Polticelli, Fabio; Antonacci, Amina; Scognamiglio, Viviana; Katiyar, Prashant; Kulkarni, Sudhir A; Johanningmeier, Udo; Giardi, Maria Teresa

    2009-01-01

    The D1-D2 heterodimer in the reaction center core of phototrophs binds the redox plastoquinone cofactors, QA and QB, the terminal acceptors of the photosynthetic electron transfer chain in the photosystem II (PSII). This complex is the target of the herbicide atrazine, an environmental pollutant competitive inhibitor of QB binding, and consequently it represents an excellent biomediator to develop biosensors for pollutant monitoring in ecosystems. In this context, we have undertaken a study of the Chlamydomonas reinhardtii D1-D2 proteins aimed at designing site directed mutants with increased affinity for atrazine. The three-dimensional structure of the D1 and D2 proteins from C. reinhardtii has been homology modeled using the crystal structure of the highly homologous Thermosynechococcus elongatus proteins as templates. Mutants of D1 and D2 were then generated in silico and the atrazine binding affinity of the mutant proteins has been calculated to predict mutations able to increase PSII affinity for atrazine. The computational approach has been validated through comparison with available experimental data and production and characterization of one of the predicted mutants. The latter analyses indicated an increase of one order of magnitude of the mutant sensitivity and affinity for atrazine as compared to the control strain. Finally, D1-D2 heterodimer mutants were designed and selected which, according to our model, increase atrazine binding affinity by up to 20 kcal/mol, representing useful starting points for the development of high affinity biosensors for atrazine. PMID:19693932

  6. Dimensional phase transition from an array of 1D Luttinger liquids to a 3D Bose-Einstein condensate.

    PubMed

    Vogler, Andreas; Labouvie, Ralf; Barontini, Giovanni; Eggert, Sebastian; Guarrera, Vera; Ott, Herwig

    2014-11-21

    We study the thermodynamic properties of a 2D array of coupled one-dimensional Bose gases. The system is realized with ultracold bosonic atoms loaded in the potential tubes of a two-dimensional optical lattice. For negligible coupling strength, each tube is an independent weakly interacting 1D Bose gas featuring Tomonaga Luttinger liquid behavior. By decreasing the lattice depth, we increase the coupling strength between the 1D gases and allow for the phase transition into a 3D condensate. We extract the phase diagram for such a system and compare our results with theoretical predictions. Because of the high effective mass across the periodic potential and the increased 1D interaction strength, the phase transition is shifted to large positive values of the chemical potential. Our results are prototypical to a variety of low-dimensional systems, where the coupling between the subsystems is realized in a higher spatial dimension such as coupled spin chains in magnetic insulators. PMID:25479499

  7. Insulin-induced tyrosine dephosphorylation of paxillin and focal adhesion kinase requires active phosphotyrosine phosphatase 1D.

    PubMed Central

    Ouwens, D M; Mikkers, H M; van der Zon, G C; Stein-Gerlach, M; Ullrich, A; Maassen, J A

    1996-01-01

    Insulin stimulation of fibroblasts rapidly induces the tyrosine dephosphorylation of proteins of 68 kDa and 125 kDa, in addition to the tyrosine phosphorylation of the insulin receptor beta-chain, insulin receptor substrates 1 and 2, and Shc. Using specific antibodies, the 68 kDa and 125 kDa proteins were identified as paxillin and focal adhesion kinase (pp125FAK) respectively. We have examined whether dephosphorylation of paxillin and pp125FAK requires interaction of the cells with the extracellular matrix. For this, cells were grown on poly(L-lysine) plates, and the tyrosine phosphorylation of pp125FAK and paxillin was increased by addition of lysophosphatidic acid. Under these conditions, insulin still induced the complete dephosphorylation of pp125FAK and paxillin, indicating that this process can occur independently of the interaction of integrins with extracellular matrix proteins. We also studied whether dephosphorylation of pp125FAK and paxillin results from the action of a phosphotyrosine phosphatase. It was found that phenylarsine oxide, a phosphotyrosine phosphatase inhibitor, prevented the insulin-induced dephosphorylation of pp125FAK and paxillin. Furthermore, this insulin-induced dephosphorylation was also impaired in cells expressing a dominant-negative mutant of phosphotyrosine phosphatase 1D (PTP 1D). Thus we have identified paxillin as a target for dephosphorylation by insulin. In addition, we have obtained evidence that the insulin-mediated dephosphorylation of paxillin and pp125FAK requires active PTP 1D. PMID:8809054

  8. Correlation between inter-spin interaction and molecular dynamics of organic radicals in organic 1D nanochannels

    NASA Astrophysics Data System (ADS)

    Kobayashi, Hirokazu

    2015-12-01

    One-dimensional (1D) molecular chains of 4-substituted-2,2,6,6-tetramethyl-1-piperidinyloxyl (4-X-TEMPO) radicals were constructed in the crystalline 1D nanochannels of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine (CLPOT) used as a template. The ESR spectra of CLPOT inclusion compounds (ICs) using 4-X-TEMPO were examined on the basis of spectral simulation using EasySpin program package for simulating and fitting ESR spectra. The ESR spectra of [(CLPOT)2-(TEMPO)1.0] IC were isotropic in the total range of temperatures. The peak-to-peak line width (ΔBpp) became monotonically narrower from 2.8 to 1.3 mT with increase in temperature in the range of 4.2-298 K. The effect of the rotational diffusion motion of TEMPO radicals in the CLPOT nanochannels for the inter-spin interaction of the [(CLPOT)2-(TEMPO)1.0] IC was found to be smaller than the case of [(TPP)2-(TEMPO)1.0] IC (TPP = tris(o-phenylenedioxy)cyclotriphosphazene) reported in our previous study. The ΔBpp of the [(CLPOT)2-(TEMPO)1.0] IC in the whole range of temperatures was much narrower than the estimation to be based on the Van Vleck's formula for the second moment of the rigid lattice model where the electron spin can be considered as fixed; 11 mT of Gaussian line-width component. This suggests the possibility of exchange narrowing in the 1D organic-radical chains of the [(CLPOT)2-(TEMPO)1.0] IC. On the other hand, the ESR spectra of [(CLPOT)2-(MeO-TEMPO)0.41] IC (MeO-TEMPO = 4-methoxy-TEMPO) were reproduced by a superposition of major broad isotropic adsorption line and minor temperature-dependent modulated triplet component. This suggests that the IC has the part of 1D organic-radical chains and MeO-TEMPO molecules isolated in the CLPOT nanochannels.

  9. Correlation between inter-spin interaction and molecular dynamics of organic radicals in organic 1D nanochannels

    SciTech Connect

    Kobayashi, Hirokazu

    2015-12-31

    One-dimensional (1D) molecular chains of 4-substituted-2,2,6,6-tetramethyl-1-piperidinyloxyl (4-X-TEMPO) radicals were constructed in the crystalline 1D nanochannels of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine (CLPOT) used as a template. The ESR spectra of CLPOT inclusion compounds (ICs) using 4-X-TEMPO were examined on the basis of spectral simulation using EasySpin program package for simulating and fitting ESR spectra. The ESR spectra of [(CLPOT){sub 2}-(TEMPO){sub 1.0}] IC were isotropic in the total range of temperatures. The peak-to-peak line width (ΔB{sub pp}) became monotonically narrower from 2.8 to 1.3 mT with increase in temperature in the range of 4.2–298 K. The effect of the rotational diffusion motion of TEMPO radicals in the CLPOT nanochannels for the inter-spin interaction of the [(CLPOT){sub 2}-(TEMPO){sub 1.0}] IC was found to be smaller than the case of [(TPP){sub 2}−(TEMPO){sub 1.0}] IC (TPP = tris(o-phenylenedioxy)cyclotriphosphazene) reported in our previous study. The ΔB{sub pp} of the [(CLPOT){sub 2}-(TEMPO){sub 1.0}] IC in the whole range of temperatures was much narrower than the estimation to be based on the Van Vleck’s formula for the second moment of the rigid lattice model where the electron spin can be considered as fixed; 11 mT of Gaussian line-width component. This suggests the possibility of exchange narrowing in the 1D organic-radical chains of the [(CLPOT){sub 2}-(TEMPO){sub 1.0}] IC. On the other hand, the ESR spectra of [(CLPOT){sub 2}-(MeO-TEMPO){sub 0.41}] IC (MeO-TEMPO = 4-methoxy-TEMPO) were reproduced by a superposition of major broad isotropic adsorption line and minor temperature-dependent modulated triplet component. This suggests that the IC has the part of 1D organic-radical chains and MeO-TEMPO molecules isolated in the CLPOT nanochannels.

  10. Dynamical functions of a 1D correlated quantum liquid

    NASA Astrophysics Data System (ADS)

    Carmelo, J. M. P.; Bozi, D.; Penc, K.

    2008-10-01

    The dynamical correlation functions in one-dimensional electronic systems show power-law behaviour at low energies and momenta close to integer multiples of the charge and spin Fermi momenta. These systems are usually referred to as Tomonaga-Luttinger liquids. However, near well defined lines of the (k,ω) plane the power-law behaviour extends beyond the low-energy cases mentioned above, and also appears at higher energies, leading to singular features in the photoemission spectra and other dynamical correlation functions. The general spectral-function expressions derived in this paper were used in recent theoretical studies of the finite-energy singular features in photoemission of the organic compound tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ) metallic phase. They are based on a so-called pseudofermion dynamical theory (PDT), which allows us to systematically enumerate and describe the excitations in the Hubbard model starting from the Bethe ansatz, as well as to calculate the charge and spin object phase shifts appearing as exponents of the power laws. In particular, we concentrate on the spin-density m\\rightarrow 0 limit and on effects in the vicinity of the singular border lines, as well as close to half filling. Our studies take into account spectral contributions from types of microscopic processes that do not occur for finite values of the spin density. In addition, the specific processes involved in the spectral features of TTF-TCNQ are studied. Our results are useful for the further understanding of the unusual spectral properties observed in low-dimensional organic metals and also provide expressions for the one- and two-atom spectral functions of a correlated quantum system of ultracold fermionic atoms in a 1D optical lattice with on-site two-atom repulsion.

  11. Evidence against dopamine D1/D2 receptor heteromers

    PubMed Central

    Frederick, Aliya L.; Yano, Hideaki; Trifilieff, Pierre; Vishwasrao, Harshad D.; Biezonski, Dominik; Mészáros, József; Sibley, David R.; Kellendonk, Christoph; Sonntag, Kai C.; Graham, Devon L.; Colbran, Roger J.; Stanwood, Gregg D.; Javitch, Jonathan A.

    2014-01-01

    Hetero-oligomers of G-protein-coupled receptors have become the subject of intense investigation because their purported potential to manifest signaling and pharmacological properties that differ from the component receptors makes them highly attractive for the development of more selective pharmacological treatments. In particular, dopamine D1 and D2 receptors have been proposed to form hetero-oligomers that couple to Gαq proteins, and SKF83959 has been proposed to act as a biased agonist that selectively engages these receptor complexes to activate Gαq and thus phospholipase C. D1/D2 heteromers have been proposed as relevant to the pathophysiology and treatment of depression and schizophrenia. We used in vitro bioluminescence resonance energy transfer (BRET), ex vivo analyses of receptor localization and proximity in brain slices, and behavioral assays in mice to characterize signaling from these putative dimers/oligomers. We were unable to detect Gαq or Gα11 protein coupling to homomers or heteromers of D1 or D2 receptors using a variety of biosensors. SKF83959-induced locomotor and grooming behaviors were eliminated in D1 receptor knockout mice, verifying a key role for D1-like receptor activation. In contrast, SKF83959-induced motor responses were intact in D2 receptor and Gαq knockout mice, as well as in knock-in mice expressing a mutant Ala286-CaMKIIα, that cannot autophosphorylate to become active. Moreover, we found that in the shell of the nucleus accumbens, even in neurons in which D1 and D2 receptor promoters are both active, the receptor proteins are segregated and do not form complexes. These data are not compatible with SKF83959 signaling through Gαq or through a D1–D2 heteromer and challenge the existence of such a signaling complex in the adult animals that we used for our studies. PMID:25560761

  12. A new general 1-D vadose zone flow solution method

    NASA Astrophysics Data System (ADS)

    Ogden, Fred L.; Lai, Wencong; Steinke, Robert C.; Zhu, Jianting; Talbot, Cary A.; Wilson, John L.

    2015-06-01

    We have developed an alternative to the one-dimensional partial differential equation (PDE) attributed to Richards (1931) that describes unsaturated porous media flow in homogeneous soil layers. Our solution is a set of three ordinary differential equations (ODEs) derived from unsaturated flux and mass conservation principles. We used a hodograph transformation, the Method of Lines, and a finite water-content discretization to produce ODEs that accurately simulate infiltration, falling slugs, and groundwater table dynamic effects on vadose zone fluxes. This formulation, which we refer to as "finite water-content", simulates sharp fronts and is guaranteed to conserve mass using a finite-volume solution. Our ODE solution method is explicitly integrable, does not require iterations and therefore has no convergence limits and is computationally efficient. The method accepts boundary fluxes including arbitrary precipitation, bare soil evaporation, and evapotranspiration. The method can simulate heterogeneous soils using layers. Results are presented in terms of fluxes and water content profiles. Comparing our method against analytical solutions, laboratory data, and the Hydrus-1D solver, we find that predictive performance of our finite water-content ODE method is comparable to or in some cases exceeds that of the solution of Richards' equation, with or without a shallow water table. The presented ODE method is transformative in that it offers accuracy comparable to the Richards (1931) PDE numerical solution, without the numerical complexity, in a form that is robust, continuous, and suitable for use in large watershed and land-atmosphere simulation models, including regional-scale models of coupled climate and hydrology.

  13. Two-band model description of electroabsorption and third-harmonic generation in 1-D MX linear chains

    SciTech Connect

    Shuai, Z.; Bredas, J.L.; Saxena, A.; Gammel, J.T.; Bishop, A.R.

    1994-10-01

    Within a two-band model, the authors investigate the electroabsorption (EA) and third-harmonic generation (THG) processes in halogen-bridged mixed-valence Pt complexes: PtCl, PtBr and Ptl. For PtCl, the theoretical THG spectrum shows three peaks, corresponding to (i) a three-photon resonance at 0.83 eV originating in a M(etal)-M(etal) transition; (ii) a two-photon resonance at 1.5 eV from an M-M band-edge transition; and (iii) a three-photon resonance at 1.6 eV from an M-X transition. The latter two peaks account well for the twin-peak structure seen experimentally. They show that the twin-peak intensity strongly decreases from PtCl to PtBr and disappears for PtI. They also discuss the theoretical EA spectra due to localized defects (polarons, bipolarons, kinks, and excitons).

  14. Synthesis, characterization, and physical properties of 1D nanostructures

    NASA Astrophysics Data System (ADS)

    Marley, Peter Mchael

    The roster of materials exhibiting metal---insulator transitions with sharply discontinuous switching of electrical conductivity close to room temperature remains rather sparse despite the fundamental interest in the electronic instabilities manifested in such materials and the plethora of potential technological applications, ranging from frequency-agile metamaterials to electrochromic coatings and Mott field-effect transistors. Vanadium oxide bronzes with the general formula MxV2O 5, provide a wealth of compositions and frameworks where strong electron correlation can be systematically (albeit thus far only empirically) tuned. Charge fluctuations along the quasi-1D frameworks of MxV 2O5 bronzes have evinced much recent interest owing to the manifestation of colossal metal---insulator transitions and superconductivity. We start with a general review on the phase transitions, both electronic and structural, of vanadium oxide bronzes in Chapter 1. In Chapter 2, we demonstrate an unprecedented reversible transformation between double-layered (delta) and tunnel (beta) quasi-1D geometries for nanowires of a divalent vanadium bronze CaxV2O5 (x ˜0.23) upon annealing-induced dehydration and hydrothermally-induced hydration. Such a facile hydration/dehydration-induced interconversion between two prominent quasi-1D structures (accompanied by a change in charge ordering motifs) has not been observed in the bulk and is posited to result from the ease of propagation of crystallographic slip processes across the confined nanowire widths for the delta→beta conversion and the facile diffusion of water molecules within the tunnel geometries for the beta→delta reversion. We demonstrate in Chapter 3 unprecedented pronounced metal-insulator transitions induced by application of a voltage for nanowires of a vanadium oxide bronze with intercalated divalent cations, beta-PbxV 2O5 (x ˜0.33). The induction of the phase transition through application of an electric field at room

  15. Synthesis, characterization, and physical properties of 1D nanostructures

    NASA Astrophysics Data System (ADS)

    Marley, Peter Mchael

    The roster of materials exhibiting metal---insulator transitions with sharply discontinuous switching of electrical conductivity close to room temperature remains rather sparse despite the fundamental interest in the electronic instabilities manifested in such materials and the plethora of potential technological applications, ranging from frequency-agile metamaterials to electrochromic coatings and Mott field-effect transistors. Vanadium oxide bronzes with the general formula MxV2O 5, provide a wealth of compositions and frameworks where strong electron correlation can be systematically (albeit thus far only empirically) tuned. Charge fluctuations along the quasi-1D frameworks of MxV 2O5 bronzes have evinced much recent interest owing to the manifestation of colossal metal---insulator transitions and superconductivity. We start with a general review on the phase transitions, both electronic and structural, of vanadium oxide bronzes in Chapter 1. In Chapter 2, we demonstrate an unprecedented reversible transformation between double-layered (delta) and tunnel (beta) quasi-1D geometries for nanowires of a divalent vanadium bronze CaxV2O5 (x ˜0.23) upon annealing-induced dehydration and hydrothermally-induced hydration. Such a facile hydration/dehydration-induced interconversion between two prominent quasi-1D structures (accompanied by a change in charge ordering motifs) has not been observed in the bulk and is posited to result from the ease of propagation of crystallographic slip processes across the confined nanowire widths for the delta→beta conversion and the facile diffusion of water molecules within the tunnel geometries for the beta→delta reversion. We demonstrate in Chapter 3 unprecedented pronounced metal-insulator transitions induced by application of a voltage for nanowires of a vanadium oxide bronze with intercalated divalent cations, beta-PbxV 2O5 (x ˜0.33). The induction of the phase transition through application of an electric field at room

  16. SCCRO3 (DCUN1D3) Antagonizes the Neddylation and Oncogenic Activity of SCCRO (DCUN1D1)*

    PubMed Central

    Huang, Guochang; Stock, Cameron; Bommeljé, Claire C.; Weeda, Víola B.; Shah, Kushyup; Bains, Sarina; Buss, Elizabeth; Shaha, Manish; Rechler, Willi; Ramanathan, Suresh Y.; Singh, Bhuvanesh

    2014-01-01

    The activity of cullin-RING type ubiquitination E3 ligases is regulated by neddylation, a process analogous to ubiquitination that culminates in covalent attachment of the ubiquitin-like protein Nedd8 to cullins. As a component of the E3 for neddylation, SCCRO/DCUN1D1 plays a key regulatory role in neddylation and, consequently, cullin-RING ligase activity. The essential contribution of SCCRO to neddylation is to promote nuclear translocation of the cullin-ROC1 complex. The presence of a myristoyl sequence in SCCRO3, one of four SCCRO paralogues present in humans that localizes to the membrane, raises questions about its function in neddylation. We found that although SCCRO3 binds to CAND1, cullins, and ROC1, it does not efficiently bind to Ubc12, promote cullin neddylation, or conform to the reaction processivity paradigms, suggesting that SCCRO3 does not have E3 activity. Expression of SCCRO3 inhibits SCCRO-promoted neddylation by sequestering cullins to the membrane, thereby blocking its nuclear translocation. Moreover, SCCRO3 inhibits SCCRO transforming activity. The inhibitory effects of SCCRO3 on SCCRO-promoted neddylation and transformation require both an intact myristoyl sequence and PONY domain, confirming that membrane localization and binding to cullins are required for in vivo functions. Taken together, our findings suggest that SCCRO3 functions as a tumor suppressor by antagonizing the neddylation activity of SCCRO. PMID:25349211

  17. Unexpected photoluminescence properties from one-dimensional molecular chains

    NASA Astrophysics Data System (ADS)

    Yuan, Ye; Yao, Mingguang; Chen, Shuanglong; Liu, Shijie; Yang, Xigui; Zhang, Weiwei; Yao, Zhen; Liu, Ran; Liu, Bo; Liu, Bingbing

    2016-01-01

    Unlike bulk iodine, iodine molecular chains formed inside one dimensional (1D) nanochannels of AlPO4-5 (AFI) single crystals show unexpected PL behavior. Thanks to its unique 1D structure, the PL exhibits obvious polarization both in excitation and emission, by changing the angle between the c-axis of the channels and the polarization direction of the incident laser. As pressure increases, the PL intensity increases obviously due to the population increase of (I2)n chains upon compression. In contrast, the breaking of the (I2)n chain at high temperature leads to the decrease of PL intensity. Our theoretical calculation further points out that the PL may arise from the intrinsic band structure of (I2)n chains.

  18. Magnetic ordering in the frustrated J1 - J2 Ising chain candidate BaNd2O4

    DOE PAGESBeta

    Aczel, Adam A.; Li, Ling; Garlea, Vasile O.; Yan, Jiaqiang; Weickert, Franziska; Jaime, M.; Maiorov, B.; Movshovich, R.; Civale, L.; Keppens, V.; et al

    2014-10-06

    The AR2O4 family (R = rare earth) has recently been attracting interest as a new series of frustrated magnets, with the magnetic R atoms forming zigzag chains running along the c axis. In this paper, we have investigated polycrystalline BaNd2O4 with a combination of magnetization, heat-capacity, and neutron powder diffraction measurements. Magnetic Bragg peaks are observed below TN = 1.7 K, and they can be indexed with a propagation vector of k = (0,1/2,1/2). The signal from magnetic diffraction is well described by long-range ordering of only one of the two types of Nd zigzag chains, with collinear up-up-down-down intrachainmore » spin configurations (double Néel state). Furthermore, low-temperature magnetization and heat-capacity measurements reveal two magnetic-field-induced spin transitions at 2.75 and 4 T for T = 0.46 K. The high-field phase is paramagnetic, while the intermediate-field state may arise from a spin transition of the long-range ordered Nd chains. Finally, one possible candidate for the field-induced ordered state corresponds to an up-up-down intrachain spin configuration, as predicted for a classical J1-J2 Ising chain with a double Néel ground state in zero field.« less

  19. Low Temperature 1D-Ising-like Behaviour of Cobalt Niobate

    NASA Astrophysics Data System (ADS)

    Munsie, Timothy; Kinross, Alison; Dube, Paul; Pomaranski, David; Kycia, Jan; Luke, Graeme

    2013-03-01

    Cobalt niobate, CoNb2O6, is a material that exhibits 1D-Ising-like behaviour at low temperatures, based primarily on chains of spins of the Co2+ atoms. Specific heat and magnetic susceptibility measurements on cobalt niobate have found magnetic transitions at 1.9 K and 2.9 K, in agreement with previous work. Specifically, we have performed specific heat measurements in zero field down to 330 mK and have mapped some of the field dependence of the specific heat above 2 K. The low temperature specific heat measurements show an increasingly long relaxation time, implying that the spins become increasingly decoupled from the lattice with decreasing temperature. We have also been the first group to examine the magnetic properties of this material with muon spin rotation (μSR). This work found that the cobalt moments remain largely dynamic on the microsecond timescale for temperatures well below 1.9 K, indicating that the ground state of CoNb2O6 is more complex than previously thought.

  20. PPM1D exerts its oncogenic properties in human pancreatic cancer through multiple mechanisms.

    PubMed

    Wu, Bo; Guo, Bo-Min; Kang, Jie; Deng, Xian-Zhao; Fan, You-Ben; Zhang, Xiao-Ping; Ai, Kai-Xing

    2016-03-01

    Protein phosphatase, Mg(2+)/Mn(2+) dependent, 1D (PPM1D) is emerging as an oncogene by virtue of its negative control on several tumor suppressor pathways. However, the clinical significance of PPM1D in pancreatic cancer (PC) has not been defined. In this study, we determined PPM1D expression in human PC tissues and cell lines and their irrespective noncancerous controls. We subsequently investigated the functional role of PPM1D in the migration, invasion, and apoptosis of MIA PaCa-2 and PANC-1 PC cells in vitro and explored the signaling pathways involved. Furthermore, we examined the role of PPM1D in PC tumorigenesis in vivo. Our results showed that PPM1D is overexpressed in human PC tissues and cell lines and significantly correlated with tumor growth and metastasis. PPM1D promotes PC cell migration and invasion via potentiation of the Wnt/β-catenin pathway through downregulation of apoptosis-stimulating of p53 protein 2 (ASPP2). In contrast to PPM1D, our results showed that ASPP2 is downregulated in PC tissues. Additionally, PPM1D suppresses PC cell apoptosis via inhibition of the p38 MAPK/p53 pathway through both dephosphorylation of p38 MAPK and downregulation of ASPP2. Furthermore, PPM1D promotes PC tumor growth in vivo. Our results demonstrated that PPM1D is an oncogene in PC. PMID:26714478

  1. Preliminary abatement device evaluation: 1D-2D KGM cyclone design

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Cyclones are predominately used in controlling cotton gin particulate matter (PM) emissions. The most commonly used cyclone designs are the 2D-2D and 1D-3D; however other designs such as the 1D-2D KGM have or are currently being used. A 1D-2D cyclone has a barrel length equal to the barrel diamete...

  2. 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. PMID:20407173

  3. Adjusting the Chain Gear

    NASA Astrophysics Data System (ADS)

    Koloc, Z.; Korf, J.; Kavan, P.

    The adjustment (modification) deals with gear chains intermediating (transmitting) motion transfer between the sprocket wheels on parallel shafts. The purpose of the adjustments of chain gear is to remove the unwanted effects by using the chain guide on the links (sliding guide rail) ensuring a smooth fit of the chain rollers into the wheel tooth gap.

  4. From nonfinite to finite 1D arrays of origami tiles.

    PubMed

    Wu, Tsai Chin; Rahman, Masudur; Norton, Michael L

    2014-06-17

    average solution structures for blocks is more readily achieved using computer models than using direct imaging methods. The development of scalable 1D-origami arrays composed of uniquely addressable components is a logical, if not necessary, step in the evolution of higher order fully addressable structures. Our research into the fabrication of arrays has led us to generate a listing of several important areas of future endeavor. Of high importance is the re-enforcement of the mechanical properties of the building blocks and the organization of multiple arrays on a surface of technological importance. While addressing this short list of barriers to progress will prove challenging, coherent development along each of these lines of inquiry will accelerate the appearance of commercial scale molecular manufacturing. PMID:24803094

  5. Anion-dependent construction of a series of fluorescent coordination polymers based on 1D zinc∩4,4‧-bis(imidazol-1-yl)-biphenyl substrates

    NASA Astrophysics Data System (ADS)

    Zou, Kang-Yu; Zou, Qian; Han, Tong; Liu, Yi-Chen; Wang, Jun-Jie; Zhang, Xue; Li, Zuo-Xi

    2016-03-01

    In this work, the rod-like ligand 4,4‧-bis(imidazol-1-yl)-biphenyl (bibp) has been utilized as a building block to carry out counterion effects on the structural diversities of coordination polymers. A series of new zinc complexes, [Zn(trans-bibp)Cl2]∞ (1), [Zn(trans-bibp)Br2]∞ (2), {[Zn(cis-bibp)(Ac)2]·(H2O)}∞ (3), [Zn(trans-bibp)SO4]∞ (4), {[Zn2(cis-bibp)2(ipa)2]·(H2O)}∞ (5, H2ipa=isophthalic acid) and {[Zn(trans-bibp)(cis-bibp)]·(ClO4)2(CHCl3)2(CH3OH)}∞ (6) have been successfully synthesized. Complexes 1 and 2 are iso-structural, which show a 1D W-type chain [Zn(trans-bibp)]∞. Complex 3 exhibits a 2D wave-like layer formed by the hydrogen bond among the 1D linear chain [Zn(cis-bibp)]∞. Complex 4 displays a 2D fish-bone lattice, which is generated from connecting the 1D W-type chain [Zn(trans-bibp)]∞ by the μ2-SO42- . Complex 5 presents an interesting 2D-3D 65·8 architecture, including two 1D chains [Zn(ipa)]∞ and [Zn(cis-bibp)]∞. Complex 6 demonstrates a 2D wave-like layer [Zn(trans-bibp)(cis-bibp)]∞. The structural diversities among 1-6 have been carefully discussed, and the role of counterion in the self-assembly of coordination polymer have also been well documented from the coordination affinity and bridging mode. Furthermore, the solid-state fluorescence properties of 1-6 at room temperature have been studied.

  6. Triheptanoin for glucose transporter type I deficiency (G1D): Modulation of human ictogenesis, cerebral metabolic rate and cognitive indices by a food supplement

    PubMed Central

    Pascual, Juan M.; Liu, Peiying; Mao, Deng; Kelly, Dorothy; Hernandez, Ana; Sheng, Min; Good, Levi B.; Ma, Qian; Marin-Valencia, Isaac; Zhang, Xuchen; Park, Jason Y.; Hynan, Linda S.; Stavinoha, Peter; Roe, Charles R.; Lu, Hanzhang

    2015-01-01

    Objective G1D is commonly associated with electrographic spike-wave and - less-noticeably – with absence seizures. The G1D syndrome has long been attributed to energy (i.e., ATP-synthetic) failure, as have experimental, toxic-rodent epilepsies to impaired brain metabolism and tricarboxylic acid (TCA) cycle intermediate depletion. Indeed, a (seldom-acknowledged) function of glucose and other substrates is the generation of brain TCAs via carbon-donor reactions collectively named anaplerosis. However, TCAs are preserved in murine G1D. This renders inferences about energy failure premature and suggests a different hypothesis, also grounded on our findings, that consumption of alternate TCA precursors is stimulated, potentially detracting from other functions. Second, common ketogenic diets can ameliorate G1D seizures, but lead to a therapeutically-counterintuitive reduction in blood glucose available to the brain, and they can prove ineffective in 1/3 of cases. While developing G1D treatments, all of this motivated us to: a) uphold (rather than attenuate) the residual brain glucose flux that all G1D patients possess; and b) stimulate the TCA cycle, including anaplerosis. Therefore, we tested the medium-chain triglyceride triheptanoin, a widely-used medical food supplement that can fulfill both of these metabolic roles. The rationale is that ketone bodies derived from ketogenic diets are not anaplerotic, in contrast with triheptanoin metabolites, as we have shown in the G1D mouse brain. Design We supplemented the regular diet of a case series of G1D patients with food-grade triheptanoin. First we confirmed that, despite their frequent electroencephalographic (EEG) presence as spike-waves, most seizures are rarely visible, such that perceptions by patients or others are inadequate for treatment evaluation. Thus, we used EEG, quantitative neuropsychological, blood analytical, and MRI cerebral metabolic rate measurements as main outcomes. Setting Academic and

  7. Magnetic chains on a triplet superconductor.

    PubMed

    Sacramento, P D

    2015-11-11

    The topological state of a two-dimensional triplet superconductor may be changed by an appropriate addition of magnetic impurities. A ferromagnetic magnetic chain at the surface of a superconductor with spin-orbit coupling may eliminate the edge states of a finite system giving rise to localized zero modes at the edges of the chain. The coexistence/competition between the two types of zero modes is considered. The reduction of the system to an effective 1d system gives partial information on the topological properties but the study of the two sets of zero modes requires a two-dimensional treatment. Increasing the impurity density from a magnetic chain to magnetic islands leads to a finite Chern number. At half-filling small concentrations are enough to induce chiral modes. PMID:26459719

  8. Genetic variation in aldo-keto reductase 1D1 (AKR1D1) affects the expression and activity of multiple cytochrome P450s.

    PubMed

    Chaudhry, Amarjit S; Thirumaran, Ranjit K; Yasuda, Kazuto; Yang, Xia; Fan, Yiping; Strom, Stephen C; Schuetz, Erin G

    2013-08-01

    Human liver gene regulatory (Bayesian) network analysis was previously used to identify a cytochrome P450 (P450) gene subnetwork with Aldo-keto reductase 1D1 (AKR1D1) as a key regulatory driver of this subnetwork. This study assessed the biologic importance of AKR1D1 [a key enzyme in the synthesis of bile acids, ligand activators of farnesoid X receptor (FXR), pregnane X receptor (PXR), and constitutive androstane receptor (CAR), known transcriptional regulators of P450s] to hepatic P450 expression. Overexpression of AKR1D1 in primary human hepatocytes led to increased expression of CYP3A4, CYP2C8, CYP2C9, CYP2C19, and CYP2B6. Conversely, AKR1D1 knockdown decreased expression of these P450s. We resequenced AKR1D1 from 98 donor livers and identified a 3'-untranslated region (UTR) (rs1872930) single nucleotide polymorphism (SNP) significantly associated with higher AKR1D1 mRNA expression. AKR1D1 3'-UTR-luciferase reporter studies showed that the variant allele resulted in higher luciferase activity, suggesting that the SNP increases AKR1D1 mRNA stability and/or translation efficiency. Consistent with AKR1D1's putative role as a driver of the P450 subnetwork, the AKR1D1 3'-UTR SNP was significantly associated with increased hepatic mRNA expression of multiple P450s (CYP3A4, CYP2C8, CYP2C9, CYP2C19, and CYP2B6) and CYP3A4, CYP2C8, CYP2C19, and CYP2B6 activities. After adjusting for multiple testing, the association remained significant for AKR1D1, CYP2C9, and CYP2C8 mRNA expression and CYP2C8 activity. These results provide new insights into the variation in expression and activity of P450s that can account for interindividual differences in drug metabolism/efficacy and adverse drug events. In conclusion, we provide the first experimental evidence supporting a role for AKR1D1 as a key genetic regulator of the P450 network. PMID:23704699

  9. Helical structures in vertically aligned dust particle chains in a complex plasma.

    PubMed

    Hyde, Truell W; Kong, Jie; Matthews, Lorin S

    2013-05-01

    Self-assembly of structures from vertically aligned, charged dust particle bundles within a glass box placed on the lower, powered electrode of a Gaseous Electronics Conference rf reference cell were produced and examined experimentally. Self-organized formation of one-dimensional vertical chains, two-dimensional zigzag structures, and three-dimensional helical structures of triangular, quadrangular, pentagonal, hexagonal, and heptagonal symmetries are shown to occur. System evolution is shown to progress from a one-dimensional chain structure, through a zigzag transition to a two-dimensional, spindlelike structure, and then to various three-dimensional, helical structures exhibiting multiple symmetries. Stable configurations are found to be dependent upon the system confinement, γ(2)=(ω(0h)/ω(0v))(2) (where ω(0h,v) are the horizontal and vertical dust resonance frequencies), the total number of particles within a bundle, and the rf power. For clusters having fixed numbers of particles, the rf power at which structural phase transitions occur is repeatable and exhibits no observable hysteresis. The critical conditions for these structural phase transitions as well as the basic symmetry exhibited by the one-, two-, and three-dimensional structures that subsequently develop are in good agreement with the theoretically predicted configurations of minimum energy determined employing molecular dynamics simulations for charged dust particles confined in a prolate, spheroidal potential as presented theoretically by Kamimura and Ishihara [Kamimura and Ishihara, Phys. Rev. E 85, 016406 (2012)]. PMID:23767642

  10. New zig-zag composite plate theories and three-dimensional finite elements for static and explicit dynamic analysis of laminated composite and sandwich panels

    NASA Astrophysics Data System (ADS)

    Cho, Yong-Bae

    Refined laminated plate theories based on linear or cubic plus zig-zag kinematics have been developed, and new Csp0 3-D finite elements have been developed on the basis of those theories for the purpose of static and dynamic analysis of sandwich and laminated composite panels. In the first order zig-zag plate theory, the in-plane displacement fields in each sublaminate are assumed to be piecewise linear and vary in a zig-zag fashion through the thickness of the sublaminate. In the third order zig-zag plate theory, the in-plane displacement fields in the laminate are assumed to be piecewise cubic and vary in a zig-zag fashion through the thickness of the laminate. In each case, the transverse displacement field is assumed to vary linearly through the thickness. The zig-zag functions are evaluated by enforcing the continuity of shear stress at each interface. This in-plane displacement field assumption accounts for discrete layer effects without increasing the number of degrees of freedom as the number of layers is increased. In order to maintain Csp0 continuity of all variables, new rotation degrees of freedom are introduced, and subsequently constrained via the penalty method. The transverse normal strain is improved by assuming a constant transverse normal stress through a sublaminate or the entire laminate, and hence Poisson's ratio stiffening in associated with finite element model is eliminated. The proposed Csp0 finite elements have the topology of an eight-noded brick. Each node has five engineering degrees of freedom-three translations and two rotations. In-plane displacements and rotational degrees of freedom are approximated by the bilinear Lagrange interpolation functions. For transverse deflection degrees of freedom, an interdependent interpolation is utilized. The element stiffness coefficients are integrated exactly, yet the element exhibits no shear locking. This is achieved by using the consistent transverse shear strain fields as well as the edge

  11. EEF1D modulates proliferation and epithelial-mesenchymal transition in oral squamous cell carcinoma.

    PubMed

    Flores, Isadora L; Kawahara, Rebeca; Miguel, Márcia C C; Granato, Daniela C; Domingues, Romênia R; Macedo, Carolina C S; Carnielli, Carolina M; Yokoo, Sami; Rodrigues, Priscila C; Monteiro, Bárbara V B; Oliveira, Carine E; Salmon, Cristiane R; Nociti, Francisco H; Lopes, Márcio A; Santos-Silva, Alan; Winck, Flavia V; Coletta, Ricardo D; Paes Leme, Adriana F

    2016-05-01

    EEF1D (eukaryotic translation elongation factor 1δ) is a subunit of the elongation factor 1 complex of proteins that mediates the elongation process during protein synthesis via enzymatic delivery of aminoacyl-tRNAs to the ribosome. Although the functions of EEF1D in the translation process are recognized, EEF1D expression was found to be unbalanced in tumours. In the present study, we demonstrate the overexpression of EEF1D in OSCC (oral squamous cell carcinoma), and revealed that EEF1D and protein interaction partners promote the activation of cyclin D1 and vimentin proteins. EEF1D knockdown in OSCC reduced cell proliferation and induced EMT (epithelial-mesenchymal transition) phenotypes, including cell invasion. Taken together, these results define EEF1D as a critical inducer of OSCC proliferation and EMT. PMID:26823560

  12. Grid Cell Responses in 1D Environments Assessed as Slices through a 2D Lattice.

    PubMed

    Yoon, KiJung; Lewallen, Sam; Kinkhabwala, Amina A; Tank, David W; Fiete, Ila R

    2016-03-01

    Grid cells, defined by their striking periodic spatial responses in open 2D arenas, appear to respond differently on 1D tracks: the multiple response fields are not periodically arranged, peak amplitudes vary across fields, and the mean spacing between fields is larger than in 2D environments. We ask whether such 1D responses are consistent with the system's 2D dynamics. Combining analytical and numerical methods, we show that the 1D responses of grid cells with stable 1D fields are consistent with a linear slice through a 2D triangular lattice. Further, the 1D responses of comodular cells are well described by parallel slices, and the offsets in the starting points of the 1D slices can predict the measured 2D relative spatial phase between the cells. From these results, we conclude that the 2D dynamics of these cells is preserved in 1D, suggesting a common computation during both types of navigation behavior. PMID:26898777

  13. 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.

  14. 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.

  15. Liquid-crystal periodic zigzags from geometrical and surface-anchoring-induced confinement: Origin and internal structure from mesoscopic scale to molecular level

    NASA Astrophysics Data System (ADS)

    Yoon, Dong Ki; Yoon, Jinhwan; Kim, Yun Ho; Choi, M. C.; Kim, Jehan; Sakata, Osami; Kimura, Shigeru; Kim, Mahn Won; Smalyukh, Ivan I.; Clark, Noel A.; Ree, Moonhor; Jung, Hee-Tae

    2010-10-01

    We figured out periodic undulations of lamellae “zigzags” in liquid crystals under confinement by glass and patterned silicon hybrid cell, but in the absence of applied fields. The optical and internal structures of zigzags have been investigated from mesoscopic scale to molecular level by convoluting real and reciprocal space probes, such as polarized light microscopy, scanning electron microscopy, and microbeam x-ray diffraction. The homeotropic anchoring happens at air/liquid crystal, while planar one appears at glass or patterned silicon surfaces. The wetting and displacement of lamellae near the glass surface give rise to tilting and bending in the stacking of lamellae. This can provide a solution for the origin of periodic zigzags: asymmetric strain exerted to lamellae at two-dimensional glass surface and one-dimensional-like pattern. This can give a hint for potential photonic applications such as optical gratings and modulators due to its high periodicity.

  16. Endogenous N-terminal Domain Cleavage Modulates α1D-Adrenergic Receptor Pharmacodynamics.

    PubMed

    Kountz, Timothy S; Lee, Kyung-Soon; Aggarwal-Howarth, Stacey; Curran, Elizabeth; Park, Ji-Min; Harris, Dorathy-Ann; Stewart, Aaron; Hendrickson, Joseph; Camp, Nathan D; Wolf-Yadlin, Alejandro; Wang, Edith H; Scott, John D; Hague, Chris

    2016-08-26

    The α1D-adrenergic receptor (ADRA1D) is a key regulator of cardiovascular, prostate, and central nervous system functions. This clinically relevant G protein-coupled receptor has proven difficult to study, as it must form an obligate modular homodimer containing the PDZ proteins scribble and syntrophin or become retained in the endoplasmic reticulum as non-functional protein. We previously determined that targeted removal of the N-terminal (NT) 79 amino acids facilitates ADRA1D plasma membrane expression and agonist-stimulated functional responses. However, whether such an event occurs in physiological contexts was unknown. Herein, we report the ADRA1D is subjected to innate NT processing in cultured human cells. SNAP near-infrared imaging and tandem-affinity purification revealed the ADRA1D is expressed as both full-length and NT truncated forms in multiple human cell lines. Serial truncation mapping identified the cleavage site as Leu(90)/Val(91) in the 95-amino acid ADRA1D NT domain, suggesting human cells express a Δ1-91 ADRA1D species. Tandem-affinity purification MS/MS and co-immunoprecipitation analysis indicate NT processing of ADRA1D is not required to form scribble-syntrophin macromolecular complexes. Yet, label-free dynamic mass redistribution signaling assays demonstrate that Δ1-91 ADRA1D agonist responses were greater than WT ADRA1D. Mutagenesis of the cleavage site nullified the processing event, resulting in ADRA1D agonist responses less than the WT receptor. Thus, we propose that processing of the ADRA1D NT domain is a physiological mechanism employed by cells to generate a functional ADRA1D isoform with optimal pharmacodynamic properties. PMID:27382054

  17. Synthesis, Structure and Spectroscopy Study of a 1D Copper Coordination Polymer Based on a Carboxybenzyl Viologen Ligand and SCN-Anion.

    PubMed

    Qiu, Li-xia; Wan, Fang; Zhu, Bin-bin; Sun, Yan-qiong; You, Yi; Chen, Yi-ping

    2015-05-01

    A zwitterionic viologen derivative ligand, 1,1'-bis(4-carboxybenzyl)-4 4'-bipyridinium dichloride (H2BpybcCl2) as a multifunctional ligand, has been synthesized incorporating a 4,4'-bipyridine core with two carboxylate groups as a. building block, specifically designed for the rational construction of metal-organic frameworks. H2BpybcCl2 ligand is a multifunctional ligand that contains viologen's specific functions and carboxylate coordination groups. The coordination polymers of viologen carboxylate with copper thiocyanate are not reported to date. A novel copper coordination polymer, [Cu(SCN)2 (Bpybc)] (I) was by solution diffusion method and characterized by single-crystal X-ray diffraction, XRD, elemental analyses, IR spectroscopy, UV-Vis DRS, TG analysis and liquid-state luminescent properties. Compound I crystallized in the monoclinic system with C2/c space group. Crystal data for complex I is as follow: a=19. 508(4) A, b=9. 474(2) Å, c =16. 963(3) Å, α=90°, β=124. 92(3)°, γ=90°. Two SCN-anions were coordinated to the Cu2+ cation forming a [Cu(SCN)2] unit. Complex I was built up by [Cu(SCN)2] units bridged sequentially by ladder-shaped Bpybc ligands to form one-dimensional zigzag chains running along the [203] direction. The chains were held together by π-π interaction between the pyridine rings and phenyl rings, thus yielding a 3-D extended supramolecular network. The UV-Visible absorption spectra show the absorption bands of π-π* transitions of Bpybc ligands and d-->d transition of Cu2+. The liquid-state luminescent property of compound I was investigated at room temperature. Attractively, the complex exhibits strong blue emission peak at 533 nm (λEx=360 nn) that can be assigned to intraligand transition of Bpybc ligand when it was excited at 360 nm. PMID:26415457

  18. Hydrothermal synthesis and structural characterization of two 1-D and 2-D Dawson-based phosphotungstates

    SciTech Connect

    Zhao Junwei; Zheng Shoutian; Liu Wei; Yang Guoyu

    2008-03-15

    Two new Dawson-based phosphotungstates (H{sub 2}en){sub 0.5}H[Cu(en){sub 2}(H{sub 2}O)]{sub 2}{l_brace}[Cu(en){sub 2}]({alpha}{sub 1}-P{sub 2}W{sub 17}CuO{sub 61}){r_brace}.8H{sub 2}O (1) (en=ethylenediamine) and [4,4'-H{sub 2}bpy]{sub 2}{l_brace}[Cu(4,4'-bpy){sub 3}][Cu(4,4'-bpy){sub 4}(H{sub 2}O){sub 2}]{sub 2}[Cu(4,4'-bpy)][{alpha}-P{sub 2}W{sub 1=} 8O{sub 62}]{sub 2}{r_brace}.6H{sub 2}O (2) (4,4'-bpy=4,4'-bipyridine) have been hydrothermally synthesized and structurally characterized. 1 crystallizes in the triclinic space group P-1 with a=11.7626(17), b=13.246(2), c=29.350(5) A, {alpha}=87.355(5), {beta}=79.583(5), {gamma}=66.993(3){sup o}, V=4138.3(11) A{sup 3}, Z=2, GOF=1.089, R{sub 1}=0.0563 and wR{sub 2}=0.1505, whereas 2 belongs to the orthorhombic space group Iba2 with a=22.277(8), b=47.04(2), c=22.153(8) A, V=23215(17) A{sup 3}, Z=4, GOF=1.051, R{sub 1}=0.0627 and wR{sub 2}=0.1477. 1 consists of a 1-D linear chain structure constructed from monocopper{sup II}-substituted Dawson polyoxoanions, while 2 represents the first 2-D sheet-like structure with a (4,4)-connected topological net built up from plenary Dawson-type polyoxoanions and Cu{sup II}-4,4'-bpy complex cations in polyoxometalate chemistry. - Graphical abstract: Two Dawson-based phosphotungstates (H{sub 2}en){sub 0.5}H[Cu(en){sub 2}(H{sub 2}O)]{sub 2}{l_brace}[Cu(en){sub 2}]({alpha}{sub 1}-P{sub 2}W{sub 17}CuO{sub 61}){r_brace}.8H{sub 2}O (1) and [4,4'-H{sub 2}bpy]{sub 2}{l_brace}[Cu(4,4'-bpy){sub 3}][Cu(4,4'-bpy){sub 4}(H{sub 2}O){sub 2}]{sub 2}[Cu(4,4'-bpy)][{alpha}-P{sub 2}W{sub 1=} 8O{sub 62}]{sub 2}{r_brace}.6H{sub 2}O (2) have been hydrothermally synthesized and structurally characterized. 1 consists of a 1-D linear chain structure constructed from monocopper-substituted Dawson polyoxoanions, while 2 represents the first 2-D sheet-like structure with a (4,4)-connected topological net built up from saturated Dawson-type polyoxoanions and Cu{sup II}-4,4'-bpy complex cations in

  19. Sensing sulfur-containing gases using titanium and tin decorated zigzag graphene nanoribbons from first-principles.

    PubMed

    Abdulkader Tawfik, Sherif; Cui, X Y; Carter, D J; Ringer, S P; Stampfl, C

    2015-03-14

    Atom implantation in graphene or graphene nanoribbons offers a rich opportunity to tune the material structure and functional properties. In this study, zigzag graphene nanoribbons with Ti or Sn adatoms stabilised on a double carbon vacancy site are theoretically studied to investigate their sensitivity to sulfur-containing gases (H2S and SO2). Due to the abundance of oxygen in the atmosphere, we also consider the sensitivity of the structures in the presence of oxygen. Density functional theory calculations are performed to determine the adsorption geometry and energetics, and nonequilibrium Green's function method is employed to compute the current-voltage characteristics of the considered systems. Our results demonstrate the sensitivity of both Ti- and Sn-doped systems to H2S, and the mild sensitivity of Ti-doped sensor systems to SO2. The Ti-doped sensor structure exhibits sensitivity to H2S with or without oxidation, while oxidation of the Sn-doped sensor structure reduces its ability to adsorb H2S and SO2 molecules. Interestingly, oxygen dissociates on the Ti-doped sensor structure, but it does not affect the sensor's response to the H2S gas species. Oxidation prevents the dissociation of the H-S bond when H2S adsorbs on the Ti-doped structure, thus enhancing its reusability for this gas species. Our study suggests the potential of Ti- and Sn-doped graphene in selective gas sensing, irrespective of the sensing performance of the bulk oxides. PMID:25679359

  20. Chromatin conformation in living cells: support for a zig-zag model of the 30 nm chromatin fiber

    NASA Technical Reports Server (NTRS)

    Rydberg, B.; Holley, W. R.; Mian, I. S.; Chatterjee, A.

    1998-01-01

    A new method was used to probe the conformation of chromatin in living mammalian cells. The method employs ionizing radiation and is based on the concept that such radiation induces correlated breaks in DNA strands that are in spatial proximity. Human dermal fibroblasts in G0 phase of the cell cycle and Chinese hamster ovary cells in mitosis were irradiated by X-rays or accelerated ions. Following lysis of the cells, DNA fragments induced by correlated breaks were end-labeled and separated according to size on denaturing polyacrylamide gels. A characteristic peak was obtained for a fragment size of 78 bases, which is the size that corresponds to one turn of DNA around the nucleosome. Additional peaks between 175 and 450 bases reflect the relative position of nearest-neighbor nucleosomes. Theoretical calculations that simulate the indirect and direct effect of radiation on DNA demonstrate that the fragment size distributions are closely related to the chromatin structure model used. Comparison of the experimental data with theoretical results support a zig-zag model of the chromatin fiber rather than a simple helical model. Thus, radiation-induced damage analysis can provide information on chromatin structure in the living cell. Copyright 1998 Academic Press.

  1. Electrically controllable spin conductance of zigzag silicene nanoribbons in the presence of anti-ferromagnetic exchange field

    NASA Astrophysics Data System (ADS)

    Pournaghavi, Nezhat; Esmaeilzadeh, Mahdi; Ahmadi, Somaieh; Farokhnezhad, Mohsen

    2016-01-01

    We study spin-dependent electron transport properties of zigzag silicene nanoribbons in the presence of anti-ferromagnetic exchange field using a nonequilibrium Green's function method. Applying a transverse electric field, spin splitting can take place and the silicene nanoribbon can work as a spin filter. The spin polarization is calculated and it is shown that the spin filtering is perfect and the spin states of electrons are fully coherent. The spin direction of transmitted electrons through the silicene filter can be easily controlled by changing the transverse electric field direction. Using Hubbard model, we take into account the electron-electron interaction and we find that although this interaction causes some changes in the electron conductance, it has no destructive effect on spin filtering properties. The effect of a single vacancy on electron transport is also investigated and it is found that, the vacancy causes to decrease the electron conductance; however, the spin-dependent properties remain the same. The vacancy in the near of the edges of nanoribbon has less destructive effect on electron conductance than that in the middle.

  2. Theoretical study on the oxidation of zigzag silicon carbide nanotubes (SiCNTs) by singlet O2

    NASA Astrophysics Data System (ADS)

    Wang, Hong; Liu, Wei; Zhao, Jing-xiang

    2012-11-01

    Singlet O2 produced upon photoexcitation is a very important oxidative reagent. The study on its reaction with nanotube might be useful not only to evaluate the stability of the nanotube upon air exposure and sunlight, but also to modify the properties of the nanotube. Considering the unique properties and wide applications of silicon carbide nanotube (SiCNT), in this paper, we performed extensive density functional theory (DFT) calculations to study the oxidation of a series of zigzag (n,0) SiCNTs (n=6 to 12) by singlet O2. It is found that the reaction process contains two steps, namely, (i) [2+2] cycloaddition of a singlet O2 to the Si-C bond, followed by (ii) the dissociation of the O-O bond, leading to the formation of an epoxide configuration with a highly exothermicity (>4.00 eV). Compared with pure SiCNT, the cycloaddition of singlet O2 on tube leads to the decrease of the band gap, while the formation of the stable epoxy structure render band gap increase. Our results indicate that the SiCNT is more prone to be degraded after exposure to air and sunlight.

  3. Molecular dynamics study of radiation damage and microstructure evolution of zigzag single-walled carbon nanotubes under carbon ion incidence

    NASA Astrophysics Data System (ADS)

    Li, Huan; Tang, Xiaobin; Chen, Feida; Huang, Hai; Liu, Jian; Chen, Da

    2016-07-01

    The radiation damage and microstructure evolution of different zigzag single-walled carbon nanotubes (SWCNTs) were investigated under incident carbon ion by molecular dynamics (MD) simulations. The radiation damage of SWCNTs under incident carbon ion with energy ranging from 25 eV to 1 keV at 300 K showed many differences at different incident sites, and the defect production increased to the maximum value with the increase in incident ion energy, and slightly decreased but stayed fairly stable within the majority of the energy range. The maximum damage of SWCNTs appeared when the incident ion energy reached 200 eV and the level of damage was directly proportional to incident ion fluence. The radiation damage was also studied at 100 K and 700 K and the defect production decreased distinctly with rising temperature because radiation-induced defects would anneal and recombine by saturating dangling bonds and reconstructing carbon network at the higher temperature. Furthermore, the stability of a large-diameter tube surpassed that of a thin one under the same radiation environments.

  4. Chemical vapor deposition synthesis of near-zigzag single-walled carbon nanotubes with stable tube-catalyst interface

    PubMed Central

    Zhao, Qiuchen; Xu, Ziwei; Hu, Yue; Ding, Feng; Zhang, Jin

    2016-01-01

    Chemical vapor deposition (CVD) growth is regarded as the most promising method for realizing structure-specific single-walled carbon nanotube (SWNT) growth. In the past 20 years, many efforts dedicated to chirality-selective SWNT growth using various strategies have been reported. However, normal CVD growth under constant conditions could not fully optimize the chirality because the randomly formed cap structure allows the nucleation of all types of SWNTs and the chirality of an SWNT is unlikely to be changed during the following elongation process. We report a new CVD process that allows temperature to be periodically changed to vary SWNT chirality multiple times during elongation to build up the energetically preferred SWNT-catalyst interface. With this strategy, SWNTs with small helix angles (less than 10°), which are predicted to have lower interfacial formation energy than others, are enriched up to ~72%. Kinetic analysis of the process suggests a multiple redistribution feature whereby a large chiral angle SWNT tends to reach the near-zigzag chirality step by step with a small chiral angle change at each step, and hence, we named this method “tandem plate CVD.” This method opens a door to synthesizing chirality-selective SWNTs by rational catalyst design. PMID:27386532

  5. Half-metallic ferromagnetism in Mn-doped zigzag AlN nanoribbon from first-principles

    NASA Astrophysics Data System (ADS)

    Aghili, S.; Beiranvand, R.; Elahi, S. M.; Abolhasani, M. R.

    2016-12-01

    Based on first-principles calculations, we investigate the effect of Mn impurity on the electronic and magnetic properties of H-terminated zigzag AlN nanoribbons (ZAlNNRs), using the band structure results obtained through the full potential linearized augmented plane wave method within the density functional theory. The calculated results show that the H-terminated ZAlNNR is semiconducting and non magnetic material with a direct band gap of about 2.78 eV. Density of state analyses shows that the top of the valence band is mainly contributed by N atoms, while just beside the conduction band the whole DOS is mainly contributed by Al atoms. The main result is a transition from non-magnetic semiconducting character to half-metallic features upon doping. The Mn-doped ZAlNNR shows complete (100%) spin polarization at the Fermi level and the charge transport is totally originated from Manganese spin up electrons in the nanoribbon. These results propose potential application for the development of AlN nanoribbon-based in magneto-electronic devices.

  6. A Multi-scale Refined Zigzag Theory for Multilayered Composite and Sandwich Plates with Improved Transverse Shear Stresses

    NASA Technical Reports Server (NTRS)

    Iurlaro, Luigi; Gherlone, Marco; Di Sciuva, Marco; Tessler, Alexander

    2013-01-01

    The Refined Zigzag Theory (RZT) enables accurate predictions of the in-plane displacements, strains, and stresses. The transverse shear stresses obtained from constitutive equations are layer-wise constant. Although these transverse shear stresses are generally accurate in the average, layer-wise sense, they are nevertheless discontinuous at layer interfaces, and thus they violate the requisite interlaminar continuity of transverse stresses. Recently, Tessler applied Reissner's mixed variational theorem and RZT kinematic assumptions to derive an accurate and efficient shear-deformation theory for homogeneous, laminated composite, and sandwich beams, called RZT(m), where "m" stands for "mixed". Herein, the RZT(m) for beams is extended to plate analysis, where two alternative assumptions for the transverse shear stresses field are examined: the first follows Tessler's formulation, whereas the second is based on Murakami's polynomial approach. Results for elasto-static simply supported and cantilever plates demonstrate that Tessler's formulation results in a powerful and efficient structural theory that is well-suited for the analysis of multilayered composite and sandwich panels.

  7. Chemical vapor deposition synthesis of near-zigzag single-walled carbon nanotubes with stable tube-catalyst interface.

    PubMed

    Zhao, Qiuchen; Xu, Ziwei; Hu, Yue; Ding, Feng; Zhang, Jin

    2016-05-01

    Chemical vapor deposition (CVD) growth is regarded as the most promising method for realizing structure-specific single-walled carbon nanotube (SWNT) growth. In the past 20 years, many efforts dedicated to chirality-selective SWNT growth using various strategies have been reported. However, normal CVD growth under constant conditions could not fully optimize the chirality because the randomly formed cap structure allows the nucleation of all types of SWNTs and the chirality of an SWNT is unlikely to be changed during the following elongation process. We report a new CVD process that allows temperature to be periodically changed to vary SWNT chirality multiple times during elongation to build up the energetically preferred SWNT-catalyst interface. With this strategy, SWNTs with small helix angles (less than 10°), which are predicted to have lower interfacial formation energy than others, are enriched up to ~72%. Kinetic analysis of the process suggests a multiple redistribution feature whereby a large chiral angle SWNT tends to reach the near-zigzag chirality step by step with a small chiral angle change at each step, and hence, we named this method "tandem plate CVD." This method opens a door to synthesizing chirality-selective SWNTs by rational catalyst design. PMID:27386532

  8. Spin-dependent Seebeck Effect, Thermal Colossal Magnetoresistance and Negative Differential Thermoelectric Resistance in Zigzag Silicene Nanoribbon Heterojunciton

    PubMed Central

    Fu, Hua-Hua; Wu, Dan-Dan; Zhang, Zu-Quan; Gu, Lei

    2015-01-01

    Spin-dependent Seebeck effect (SDSE) is one of hot topics in spin caloritronics, which examine the relationships between spin and heat transport in materials. Meanwhile, it is still a huge challenge to obtain thermally induced spin current nearly without thermal electron current. Here, we construct a hydrogen-terminated zigzag silicene nanoribbon heterojunction, and find that by applying a temperature difference between the source and the drain, spin-up and spin-down currents are generated and flow in opposite directions with nearly equal magnitudes, indicating that the thermal spin current dominates the carrier transport while the thermal electron current is much suppressed. By modulating the temperature, a pure thermal spin current can be achieved. Moreover, a thermoelectric rectifier and a negative differential thermoelectric resistance can be obtained in the thermal electron current. Through the analysis of the spin-dependent transport characteristics, a phase diagram containing various spin caloritronic phenomena is provided. In addition, a thermal magnetoresistance, which can reach infinity, is also obtained. Our results put forward an effective route to obtain a spin caloritronic material which can be applied in future low-power-consumption technology. PMID:26000658

  9. Relations in Chains

    ERIC Educational Resources Information Center

    Mineur, B. W.

    1973-01-01

    The criticisms made against chain indexing are reviewed, and PRECIS briefly considered as a possible (but improbable) general substitute for indexing. The failures of chain indexing arise mainly from an overemphasis on generic relationships. The use of symbols to represent relations between terms is suggested for the chain index. (80 references)…

  10. Molecular characterization of the maize Rp1-D rust resistance haplotype and its mutants.

    PubMed Central

    Collins, N; Drake, J; Ayliffe, M; Sun, Q; Ellis, J; Hulbert, S; Pryor, T

    1999-01-01

    The Rp1-D gene for resistance to maize common rust (Puccinia sorghi) is a member of a complex locus (haplotype) composed of Rp1-D and approximately eight other gene homologs. The identity of Rp1-D was demonstrated by using two independent gene-tagging approaches with the transposons Mutator and Dissociation. PIC20, a disease resistance (R) gene analog probe previously mapped to the rp1 locus, detected insertion of Dissociation in an Rp1-D mutation and excision in three revertants. Independent libraries probed with the PIC20 or Mutator probes resulted in isolation of the same gene sequence. Rp1-D belongs to the nucleotide binding site, leucine-rich repeat class of R genes. However, unlike the rust resistance genes M and L6 from flax, the maize Rp1-D gene does not encode an N-terminal domain with similarity to the signal transduction domains of the Drosophila Toll protein and mammalian interleukin-1 receptor. Although the abundance of transcripts of genes from the rp1 complex changed with leaf age, there was no evidence of any change due to inoculation with avirulent or virulent rust biotypes. A set of 27 Rp1-D mutants displayed at least nine different deletions of Rp1-D gene family members that were consistent with unequal crossing-over events. One mutation (Rp1-D*-24) resulted in deletion of all but one gene family member. Other unique deletions were observed in the disease lesion mimic Rp1-D*-21 and the partially susceptible mutant Rp1-D*-5. Different rp1 specificities have distinct DNA fingerprints (haplotypes). Analysis of recombinants between rp1 specificities indicated that recombination had occurred within the rp1 gene complex. Similar analyses indicated that the rust R genes at the rp5 locus, 2 centimorgans distal to rp1, are not closely related to Rp1-D. PMID:10402435

  11. Molecular characterization of the maize Rp1-D rust resistance haplotype and its mutants.

    PubMed

    Collins, N; Drake, J; Ayliffe, M; Sun, Q; Ellis, J; Hulbert, S; Pryor, T

    1999-07-01

    The Rp1-D gene for resistance to maize common rust (Puccinia sorghi) is a member of a complex locus (haplotype) composed of Rp1-D and approximately eight other gene homologs. The identity of Rp1-D was demonstrated by using two independent gene-tagging approaches with the transposons Mutator and Dissociation. PIC20, a disease resistance (R) gene analog probe previously mapped to the rp1 locus, detected insertion of Dissociation in an Rp1-D mutation and excision in three revertants. Independent libraries probed with the PIC20 or Mutator probes resulted in isolation of the same gene sequence. Rp1-D belongs to the nucleotide binding site, leucine-rich repeat class of R genes. However, unlike the rust resistance genes M and L6 from flax, the maize Rp1-D gene does not encode an N-terminal domain with similarity to the signal transduction domains of the Drosophila Toll protein and mammalian interleukin-1 receptor. Although the abundance of transcripts of genes from the rp1 complex changed with leaf age, there was no evidence of any change due to inoculation with avirulent or virulent rust biotypes. A set of 27 Rp1-D mutants displayed at least nine different deletions of Rp1-D gene family members that were consistent with unequal crossing-over events. One mutation (Rp1-D*-24) resulted in deletion of all but one gene family member. Other unique deletions were observed in the disease lesion mimic Rp1-D*-21 and the partially susceptible mutant Rp1-D*-5. Different rp1 specificities have distinct DNA fingerprints (haplotypes). Analysis of recombinants between rp1 specificities indicated that recombination had occurred within the rp1 gene complex. Similar analyses indicated that the rust R genes at the rp5 locus, 2 centimorgans distal to rp1, are not closely related to Rp1-D. PMID:10402435

  12. Examination of 1D Solar Cell Model Limitations Using 3D SPICE Modeling: Preprint

    SciTech Connect

    McMahon, W. E.; Olson, J. M.; Geisz, J. F.; Friedman, D. J.

    2012-06-01

    To examine the limitations of one-dimensional (1D) solar cell modeling, 3D SPICE-based modeling is used to examine in detail the validity of the 1D assumptions as a function of sheet resistance for a model cell. The internal voltages and current densities produced by this modeling give additional insight into the differences between the 1D and 3D models.

  13. Parity-dependent localization in N strongly coupled chains

    NASA Astrophysics Data System (ADS)

    Weinmann, Dietmar; Evangelou, S. N.

    2014-10-01

    Anderson localization of wave functions at zero energy in quasi-one-dimensional (1D) systems of N disordered chains with interchain coupling t is examined. Localization becomes weaker than for the 1D disordered chain (t =0) when t is smaller than the longitudinal hopping t'=1, and localization becomes usually much stronger when t ≫t'. This is not so for all N. We find "immunity" to strong localization for open (periodic) lateral boundary conditions when N is odd (a multiple of 4), with localization that is weaker than for t =0 and rather insensitive to t when t ≫t'. The peculiar N dependence and a critical scaling with N are explained by a perturbative treatment in t'/t, and the correspondence to a weakly disordered effective chain is shown. Our results could be relevant for experimental studies of localization in photonic waveguide arrays.

  14. Tunable Design of Structural Colors Produced by Pseudo-1D Photonic Crystals of Graphene Oxide.

    PubMed

    Tong, Liping; Qi, Wei; Wang, Mengfan; Huang, Renliang; Su, Rongxin; He, Zhimin

    2016-07-01

    It is broadly observed that graphene oxide (GO) films appear transparent with a thickness of about several nanometers, whereas they appear dark brown or almost black with thickness of more than 1 μm. The basic color mechanism of GO film on a sub-micrometer scale, however, is not well understood. This study reports on GO pseudo-1D photonic crystals (p1D-PhCs) exhibiting tunable structural colors in the visible wavelength range owing to its 1D Bragg nanostructures. Striking structural colors of GO p1D-PhCs could be tuned by simply changing either the volume or concentration of the aqueous GO dispersion during vacuum filtration. Moreover, the quantitative relationship between thickness and reflection wavelength of GO p1D-PhCs has been revealed, thereby providing a theoretical basis to rationally design structural colors of GO p1D-PhCs. The spectral response of GO p1D-PhCs to humidity is also obtained clearly showing the wavelength shift of GO p1D-PhCs at differently relative humidity values and thus encouraging the integration of structural color printing and the humidity-responsive property of GO p1D-PhCs to develop a visible and fast-responsive anti-counterfeiting label. The results pave the way for a variety of potential applications of GO in optics, structural color printing, sensing, and anti-counterfeiting. PMID:27171200

  15. Instability and Charge Density Wave of Metallic Quantum Chains on a Silicon Surface

    SciTech Connect

    Takeda, S.; Rotenberg, E.; Matsuda, I.; Horikoshi, K.; Schäfer, J.; Lee, C. M.; Kevan, S. D.; Ohta, T.; Nagao, T.; Hasegawa, S.

    1999-06-14

    Self-assembled indium linear chains on the Si(111) surface are found to exhibit instability of the metallic phase and 1D charge density wave (CDW). The room-temperature metallic phase of these chains undergoes a temperature-induced, reversible transition into a semiconducting phase. The 1D CDW along the chains is observed directly in real space by scanning tunneling microscopy at low temperature. The Fermi contours of the metallic phase measured by angle-resolved photoemission exhibit a perfect nesting predicting precisely the CDW periodicity.

  16. Instability and charge density wave of metallic quantum chains on a silicon surface

    SciTech Connect

    Yeom, H.W.; Takeda, S.; Rotenberg, E.; Matsuda, I.; Horikoshi, K.; Schaefer, J.; Lee, C.M.; Kevan, S.D.; Ohta, T.; Nagao, T.; Hasegawa, S.

    1999-06-14

    Self-assembled indium linear chains on the Si(111) surface are found to exhibit instability of the metallic phase and 1D charge density wave (CDW). The room-temperature metallic phase of these chains undergoes a temperature-induced, reversible transition into a semiconducting phase. The 1D CDW along the chains is observed directly in real space by scanning tunneling microscopy at low temperature. The Fermi contours of the metallic phase measured by angle-resolved photoemission exhibit a perfect nesting predicting precisely the CDW periodicity.

  17. Crystallization, Crystal Orientation and Morphology of Poly(ethylene oxide) under 1D Defect-Free Nanoscale Confinement

    NASA Astrophysics Data System (ADS)

    Hsiao, Ming-Siao; Zheng, Joseph X.; van Horn, Ryan M.; Quirk, Roderic P.; Thomas, Edwin L.; Lotz, Bernard; Cheng, Stephen Z. D.

    2009-03-01

    One-dimensional (1-D) defect-free nanoscale confinement is created by growing single crystals of PS-b-PEO block copolymers in dilute solution. Those defect-free, 1-D confined lamellae having different PEO layer thicknesses in PS-b-PEO lamellar single crystals (or crystal mats) were used to study the polymer recrystallization and crystal orientation evolution as a function of recrystallization temperature (Trx) because the Tg^PS is larger than Tm^PEO in the PS-b-PEO single crystal. The results are summarized as follows. First, by the combination of electron diffraction and known PEO crystallography, the crystallization of PEO only takes place at Trx<-5^oC. Meanwhile a unique tilted PEO orientation is formed at Trx >-5^oC after self-seeding. The origin of the formation of tilted chains in the PEO crystal will be addressed. Second, from the analysis of 2D WAXD patterns of crystal mats, it is shown that the change in PEO c-axis orientation from homogeneous at low Trx to homeotropic at higher Trx transitions sharply, within 1^oC. The mechanism inducing this dramatic change in crystal orientation will be investigated in detail.

  18. Comparative effects of nodularin and microcystin-LR in zebrafish: 1. Uptake by organic anion transporting polypeptide Oatp1d1 (Slco1d1).

    PubMed

    Faltermann, Susanne; Prétôt, René; Pernthaler, Jakob; Fent, Karl

    2016-02-01

    Microcystin-LR (MC-LR) and nodularin are hepatotoxins produced by several cyanobacterial species. Their toxicity is based on active cellular uptake and subsequent inhibition of protein phosphatases PP1/2A, leading to hyperphosphorylation and cell death. To date, uptake of MC-LR and nodularin in fish is poorly understood. Here, we investigated the role of the organic anion transporting polypeptide Oatp1d1 in zebrafish (drOatp1d1, Slco1d1) in cellular uptake in zebrafish. We stably transfected CHO and HEK293 cell lines expressing drOatp1d1. In both transfectants, uptake of MC-LR and nodularin was demonstrated by competitive inhibition of uptake with fluorescent substrate lucifer yellow. Direct uptake of MC-LR was demonstrated by immunostaining, and indirectly by the high cytotoxicity in stable transfectants. By means of a synthesized fluorescent labeled MC-LR derivative, direct uptake was further confirmed in HEK293 cells expressing drOatp1d1. Additionally, uptake and toxicity was investigated in the permanent zebrafish liver cell line ZFL. These cells had only a low relative abundance of drOatp1d1, drOatp2b1 and drOatp1f transcripts, which correlated with the lack of MC-LR induced cytotoxicity and transcriptional changes of genes indicative of endoplasmic reticulum stress, a known effect of this toxin. Our study demonstrates that drOatp1d1 functions as an uptake transporter for both MC-LR and nodularin in zebrafish. PMID:26769064

  19. 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.

  20. Four 1-D metal-organic polymers self-assembled from semi-flexible benzimidazole-based ligand: Syntheses, structures and fluorescent properties

    NASA Astrophysics Data System (ADS)

    Zhou, Chun-lin; Wang, Shi-min; Liu, Sai-nan; Yu, Tian-tian; Li, Rui-ying; Xu, Hong; Liu, Zhong-yi; Sun, Huan; Cheng, Jia-jia; Li, Jin-peng; Hou, Hong-wei; Chang, Jun-biao

    2016-08-01

    Four one-dimensional (1-D) metal-organic polymers based on methylene-bis(1,1‧-benzimidazole)(mbbz), namely, {[Hg(mbbz)(SCN)2]·1/3H2O}n (1), [Co(mbbz)(Cl)2]n (2), {[Co(mbbz)(SO4)]·CH3OH}n (3) and {[Zn(mbbz)(SO4)]·CH3OH}n (4) have been successfully synthesized and structurally characterized. Single-crystal X-ray diffraction reveals that polymers 1 and 2 exhibit interesting 1-D double helical chain structures, while polymers 3 and 4 are 1-D double chain structures due to the bridging effect of mbbz ligands and sulfate anions. These polymers containing the mbbz-based ligand have a high degree of dependence on the corresponding counter anions. Furthermore, the fluorescence properties of the four polymers were also investigated in the solid state, showing the fluorescence signal changes in comparing with that of free ligand mbbz.

  1. Syntheses, crystal structures and properties of two 1-D cadmium(II) coordination polymers based on 1,1'-(1,3-propanediyl)bis-1H-benzimidazole

    SciTech Connect

    Yang Huaixia; Meng Xiangru; Liu Yun; Hou Hongwei Fan Yaoting; Shen Xiaoqing

    2008-09-15

    The combination of framework-builders 1,1'-(1,3-propanediyl)bis-1H-benzimidazole (pbbm), Cd(II) ion and framework-regulator ClO{sub 4}{sup -} or SO{sub 4}{sup 2-} provides two new coordination polymers [Cd(pbbm){sub 2}(ClO{sub 4}){sub 2}]{sub n}(1) and {l_brace}[Cd(pbbm)SO{sub 4}(H{sub 2}O){sub 2}].CH{sub 3}OH{r_brace}{sub n}(2). Both of them display 1-D chain framework, but their detailed structures are clearly different from each other. 1 displays a 1-D ribbon of rings framework, 2 features an interesting infinite 1-D looped chain structure composed of two kinds of rings, the smaller 8-membered ring and the larger 20-membered ring. The antimicrobial activities of the two polymers were tested by the agar diffusion method and the results indicated that they exhibited antimicrobial activities against bacterial strands. The measurement of the non-isothermal kinetics of the thermal decomposition of 2 reveals that there are at least three steps that occur in its decomposition process. - Graphical abstract: Two new Cd(II)-containing complexes have been synthesized and characterized by single-crystal X-ray diffraction. The antimicrobial activity and the non-isothermal kinetics of the thermal decomposition of the polymers were also investigated. Display Omitted.

  2. Mapping of the serotonin 5-HT{sub 1D{alpha}} autoreceptor gene (HTR1D) on chromosome 1 using a silent polymorphism in the coding region

    SciTech Connect

    Ozaki, N.; Lappalainen, J.; Linnoila, M.

    1995-04-24

    Serotonin (5-HT){sub ID} receptors are 5-HT release-regulating autoreceptors in the human brain. Abnormalities in brain 5-HT function have been hypothesized in the pathophysiology of various psychiatric disorders, including obsessive-compulsive disorder, autism, mood disorders, eating disorders, impulsive violent behavior, and alcoholism. Thus, mutations occurring in 5-HT autoreceptors may cause or increase the vulnerability to any of these conditions. 5-HT{sub 1D{alpha}} and 5-HT{sub 1D{Beta}} subtypes have been previously localized to chromosomes 1p36.3-p34.3 and 6q13, respectively, using rodent-human hybrids and in situ localization. In this communication, we report the detection of a 5-HT{sub 1D{alpha}} receptor gene polymorphism by single strand conformation polymorphism (SSCP) analysis of the coding sequence. The polymorphism was used for fine scale linkage mapping of 5-HT{sub 1D{alpha}} on chromosome 1. This polymorphism should also be useful for linkage studies in populations and in families. Our analysis also demonstrates that functionally significant coding sequence variants of the 5-HT{sub 1D{alpha}} are probably not abundant either among alcoholics or in the general population. 14 refs., 1 fig., 1 tab.

  3. Electronic-to-vibrational energy transfer efficiency in the O/1 D/-N2 and O/1 D/-CO systems

    NASA Technical Reports Server (NTRS)

    Slanger, T. G.; Black, G.

    1974-01-01

    With the aid of a molecular resonance fluorescence technique, which utilizes optical pumping from the v = 1 level of the ground state of CO by A 1 Pi-X 1 Sigma radiation, a study is made of the efficiency of E-V transfer from O(1 D) to CO. O(1 D) is generated at a known rate by O2 photodissociation at 1470 A in an intermittent mode, and the small modulation of the fluorescent signal associated with CO (v = 1) above the normal thermal background is interpreted in terms of E-V transfer efficiency. The CO (v = 1) lifetime in this system is determined mainly by resonance trapping of the IR fundamental band, and is found to be up to ten times longer than the natural radiative lifetime. For CO, (40 plus or minus 8)% of the O(1 D) energy is converted into vibrational energy. By observing the effect of N2 on the CO (v = 1) fluorescent intensity and lifetime, it is possible to obtain the E-V transfer efficiency for the system O(1 D)-N2 relative to that for O(1 D)-CO. The results indicate that the efficiency for N2 is (83 plus or minus 10)% of that for CO.

  4. Crater chains on Mercury

    NASA Astrophysics Data System (ADS)

    Shevchenko, V.; Skobeleva, T.

    After discovery of disruption comet Shoemaker-Levy 9 into fragment train before it's collision with Jupiter there was proposed that linear crater chains on the large satellites of Jupiter and on the Moon are impact scars of past tidally disrupted comets.It's known that radar images have revealed the possible presence of water ice deposits in polar regions of Mercury. Impacts by a few large comets seem to provide the best explanation for both the amount and cleanliness of the ice deposits on Mercury because they have a larger volatile content that others external sources, for example, asteroid. A number of crater chains on the surface of Mercury are most likely the impact tracks of "fragment trains" of comets tidally disrupted by Sun or by Mercury and are not secondary craters. Mariner 10 image set (the three Mariner 10 flybys in 1974-1975) was used to recognize the crater chains these did not associate with secondary crater ejecta from observed impact structures. As example, it can be shown such crater chain located near crater Imhotep and crater Ibsen (The Kuiper Quadrangle of Mercury). Resolution of the Mariner 10 image is about 0.54 km/pixel. The crater chain is about 50 km long. It was found a similar crater chain inside large crater Sophocles (The Tolstoj Quadrangle of Mercury). The image resolution is about 1.46 km/pixel. The chain about 50 km long is located in northen part of the crater. Image resolution limits possibility to examine the form of craters strongly. It seems the craters in chains have roughly flat floor and smooth form. Most chain craters are approximately circular. It was examined many images from the Mariner 10 set and there were identified a total 15 crater chains and were unable to link any of these directly to any specific large crater associated with ejecta deposits. Chain craters are remarkably aligned. All distinguished crater chains are superposed on preexisting formations. A total of 127 craters were identified in the 15 recognized

  5. Role of the D1-D2 Linker of Human VCP/p97 in the Asymmetry and ATPase Activity of the D1-domain

    PubMed Central

    Tang, Wai Kwan; Xia, Di

    2016-01-01

    Human AAA+ protein p97 consists of an N-domain and two tandem ATPase domains D1 and D2, which are connected by the N-D1 and the D1-D2 linkers. Inclusion of the D1-D2 linker, a 22-amino acid peptide, at the end of p97 N-D1 truncate has been shown to activate ATP hydrolysis of its D1-domain, although the mechanism of activation remains unclear. Here, we identify the N-terminal half of this linker, highly conserved from human to fungi, is essential for the ATPase activation. By analyzing available crystal structures, we observed that the D1-D2 linker is capable of inducing asymmetry in subunit association into a p97 hexamer. This observation is reinforced by two new crystal structures, determined in the present work. The effect of D1-D2 linker on the ATPase activity of the D1-domain is correlated to the side-chain conformation of residue R359, a trans-acting arginine-finger residue essential for ATP hydrolysis of the D1-domain. The activation in D1-domain ATPase activity by breaking perfect six-fold symmetry implies functional importance of asymmetric association of p97 subunits, the extent of which can be determined quantitatively by the metric Asymmetric Index. PMID:26818443

  6. Cu_2(1,4-diazacycloheptane)_2Cl_4: a Quasi-1D S=1/2 Spin Liquid System

    NASA Astrophysics Data System (ADS)

    Hammar, P. R.; Broholm, C.; Reich, D. H.; Trouw, F.

    1996-03-01

    The material Cu_2(1,4-diazacycloheptane)_2Cl4 consists of well-separated double chains of Cu atoms, whose structure suggests the possibility of significant antiferromagnetic next-nearest-neighbor interactions(B. Chiari, et al., Inorg. Chem 29), 1172 (1990).. We report on measurements of magnetic susceptibility, \\chi(H,T), heat capacity, C_p(T), and neutron scattering that show that this material has a singlet ground state and a gap to spin-carrying excitations. \\chi(H=0,T) shows a broad peak at T_Peak = 8K indicative of 1D antiferromagnetic correlations. Below the peak, \\chi drops dramatically towards zero. For T << T_Peak, \\chi(H)≈ 0 below a critical field HC = 6.6T and rises sharply above HC to a plateau at 8T. Below T_Peak, C_p(T) ∝ T-3/2exp(-Δ/T) with an activation energy Δ = 10K. Inelastic neutron scattering on powders shows a gap of 0.8 meV and a magnetic bandwidth of 0.6 meV. Comparison of these data to predictions for S=1/2 spin ladders and next-near-neighbor chains will be discussed. Supported by NSF grants DMR93-02065 and DMR94-53362, DOE BES-Materials Science contract W-31-109-ENG-38 with IPNS-ANL, and by the David and Lucile Packard Foundation

  7. Chain Ends and the Ultimate Tensile Strength of Polyethylene Fibers

    NASA Astrophysics Data System (ADS)

    O'Connor, Thomas C.; Robbins, Mark O.

    Determining the tensile yield mechanisms of oriented polymer fibers remains a challenging problem in polymer mechanics. By maximizing the alignment and crystallinity of polyethylene (PE) fibers, tensile strengths σ ~ 6 - 7 GPa have been achieved. While impressive, first-principal calculations predict carbon backbone bonds would allow strengths four times higher (σ ~ 20 GPa) before breaking. The reduction in strength is caused by crystal defects like chain ends, which allow fibers to yield by chain slip in addition to bond breaking. We use large scale molecular dynamics (MD) simulations to determine the tensile yield mechanism of orthorhombic PE crystals with finite chains spanning 102 -104 carbons in length. The yield stress σy saturates for long chains at ~ 6 . 3 GPa, agreeing well with experiments. Chains do not break but always yield by slip, after nucleation of 1D dislocations at chain ends. Dislocations are accurately described by a Frenkel-Kontorova model, parametrized by the mechanical properties of an ideal crystal. We compute a dislocation core size ξ = 25 . 24 Å and determine the high and low strain rate limits of σy. Our results suggest characterizing such 1D dislocations is an efficient method for predicting fiber strength. This research was performed within the Center for Materials in Extreme Dynamic Environments (CMEDE) under the Hopkins Extreme Materials Institute at Johns Hopkins University. Financial support was provided by Grant W911NF-12-2-0022.

  8. Isostructural 1D coordination polymers of Zn(II), Cd(II) and Cu(II) with phenylpropynoic acid and DABCO as organic linkers

    NASA Astrophysics Data System (ADS)

    Saravanakumar, Rajendran; Varghese, Babu; Sankararaman, Sethuraman

    2014-11-01

    Using phenylpropynoic acid (PPA) and 1,4-diazabicyclo[2.2.2]octane (DABCO) as organic spacers, isostructural coordination polymers of Zn(II), Cd(II) and Cu(II) were synthesized by solvothermal method and structurally characterized using single crystal XRD, powder XRD, 13C CP-MAS NMR spectroscopy. Single crystal XRD data revealed four PPA units coordinating with two metal ions forming a paddle wheel secondary building unit (SBU). The paddle wheel units are connected through coordination of DABCO nitrogen to the metal centers from the axial positions leading to the formation of the 1D coordination polymers along the c axis. Intermolecular π stacking and Csbnd H…π interactions between the adjacent polymer chains convert the 1D coordination polymer into an interesting 3D network with the Csbnd H…π bonds running along the crystallographic a and b axes. Thermal and nitrogen adsorption studies of these coordination polymers are reported.

  9. A general strategy for one-step fabrication of one-dimensional magnetic nanoparticle chains based on laser ablation in liquid

    NASA Astrophysics Data System (ADS)

    Liang, Y.; Liu, P.; Xiao, J.; Li, H. B.; Wang, C. X.; Yang, G. W.

    2014-05-01

    Assembly of one-dimensional (1D) magnetic nanoparticle (NP) chains is attractive due to considerable technical demand in new materials and devices. Conventional assemblies are usually divided into two steps: one is the synthesis of NPs and the other is the fabrication of 1D NP chains. Here, we demonstrate a general strategy for fabricating 1D magnetic NP chains within one step, i.e. the magnetic field assisted laser ablation in liquid (MF-LAL), which combines NPs’ synthesis and 1D chains’ fabrication within one step. This is a green and facile LAL-based approach. Using this technique, we assemble 1D chains of submicron cobalt carbide spheres, which are ferromagnetic with anomalous giant magnetizations of 232 emu g-1 at room temperature, the highest reported so far for cobalt-based magnetic nanomaterials. The blocking temperature of the chains is more than 300 K, which is ascribed to the anisotropy of the configuration. We establish a theoretical model to pursue the fabrication of 1D magnetic NP chains, in which the basic physics and chemistry involved in the MF-LAL fabrication are discussed. These findings can guide researchers choosing interesting target and liquid for the assembly of 1D magnetic NP chains for the purpose of fundamental research and potential applications.

  10. 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.

  11. Structure and Catalytic Mechanism of Human Steroid 5-Reductase (AKR1D1)

    SciTech Connect

    Costanzo, L.; Drury, J; Christianson, D; Penning, T

    2009-01-01

    Human steroid 5{beta}-reductase (aldo-keto reductase (AKR) 1D1) catalyzes reduction of {Delta}{sup 4}-ene double bonds in steroid hormones and bile acid precursors. We have reported the structures of an AKR1D1-NADP{sup +} binary complex, and AKR1D1-NADP{sup +}-cortisone, AKR1D1-NADP{sup +}-progesterone and AKR1D1-NADP{sup +}-testosterone ternary complexes at high resolutions. Recently, structures of AKR1D1-NADP{sup +}-5{beta}-dihydroprogesterone complexes showed that the product is bound unproductively. Two quite different mechanisms of steroid double bond reduction have since been proposed. However, site-directed mutagenesis supports only one mechanism. In this mechanism, the 4-pro-R hydride is transferred from the re-face of the nicotinamide ring to C5 of the steroid substrate. E120, a unique substitution in the AKR catalytic tetrad, permits a deeper penetration of the steroid substrate into the active site to promote optimal reactant positioning. It participates with Y58 to create a 'superacidic' oxyanion hole for polarization of the C3 ketone. A role for K87 in the proton relay proposed using the AKR1D1-NADP{sup +}-5{beta}-dihydroprogesterone structure is not supported.

  12. The FC-1D: The profitable alternative Flying Circus Commercial Aviation Group

    NASA Technical Reports Server (NTRS)

    Meza, Victor J.; Alvarez, Jaime; Harrington, Brook; Lujan, Michael A.; Mitlyng, David; Saroughian, Andy; Silva, Alex; Teale, Tim

    1994-01-01

    The FC-1D was designed as an advanced solution for a low cost commercial transport meeting or exceeding all of the 1993/1994 AIAA/Lockheed request for proposal requirements. The driving philosophy behind the design of the FC-1D was the reduction of airline direct operating costs. Every effort was made during the design process to have the customer in mind. The Flying Circus Commercial Aviation Group targeted reductions in drag, fuel consumption, manufacturing costs, and maintenance costs. Flying Circus emphasized cost reduction throughout the entire design program. Drag reduction was achieved by implementation of the aft nacelle wing configuration to reduce cruise drag and increase cruise speeds. To reduce induced drag, rather than increasing the wing span of the FC-1D, spiroids were included in the efficient wing design. Profile and friction drag are reduced by using riblets in place of paint around the fuselage and empennage of the FC-1D. Choosing a single aisle configuration enabled the Flying Circus to optimize the fuselage diameter. Thus, reducing fuselage drag while gaining high structural efficiency. To further reduce fuel consumption a weight reduction program was conducted through the use of composite materials. An additional quality of the FC-1D is its design for low cost manufacturing and assembly. As a result of this design attribute, the FC-1D will have fewer parts which reduces weight as well as maintenance and assembly costs. The FC-1D is affordable and effective, the apex of commercial transport design.

  13. Theory of Topological Superconductivity in Ferromagnetic Metal Chains on Superconducting Substrates

    NASA Astrophysics Data System (ADS)

    Chen, Hua

    2015-03-01

    Recent experiments have provided evidence that one-dimensional (1D) topological superconductivity based on transition metal atom chains formed on a superconducting substrate can be realized experimentally when the chain behaves like a ferromagnetic macrospin. In this talk I will address the structural and bonding considerations which determine whether or not a particular atom chain will have magnetic and electronic properties favorable for topological superconductivity. By using a Slater-Koster tight-binding model to account for important features of transition metal electronic structure, I conclude that topological states are common for ferromagnetic chains on superconductors and that they are nearly universal when ferromagnetic transition metal chains form straight lines on superconducting substrates. The proximity induced superconducting gap on the chain is ~ ΔEso / J where Δ is the s-wave pair-potential on the chain, Eso is the spin-orbit splitting energy induced in the normal chain state bands by hybridization with the superconducting substrate, and J is the exchange-splitting of the ferromagnetic chain d-bands. Because of the topological character of the 1D superconducting state, Majorana end modes appear within the gaps of finite length chains. I will specifically discuss the spatial decay length of the Majorana end modes which can be much shorter than the coherence length from the induced p-wave gap on the chain due to its strong coupling to the three-dimensional superconducting substrate, in agreement with experimental results. Pb is a particularly favorable substrate material for ferromagnetic chain topological superconductivity because it provides both strong s - wave pairing and strong Rashba spin-orbit coupling, but there seems to be considerable scope to optimize the 1D topological superconductivity by varying the atomic composition and structure of the chain. The authors acknowledge support from the Office of Naval Research under Grant ONR-N00014-14-1-0330.

  14. On the current drive capability of low dimensional semiconductors: 1D versus 2D

    DOE PAGESBeta

    Zhu, Y.; Appenzeller, J.

    2015-10-29

    Low-dimensional electronic systems are at the heart of many scaling approaches currently pursuit for electronic applications. Here, we present a comparative study between an array of one-dimensional (1D) channels and its two-dimensional (2D) counterpart in terms of current drive capability. Lastly, our findings from analytical expressions derived in this article reveal that under certain conditions an array of 1D channels can outperform a 2D field-effect transistor because of the added degree of freedom to adjust the threshold voltage in an array of 1D devices.

  15. Comet Halley O(1D) and H2O production rates

    NASA Technical Reports Server (NTRS)

    Magee-Sauer, K.; Scherb, F.; Roesler, F. L.; Harlander, J.

    1990-01-01

    Ground-based dual-etalon Fabry-Perot spectrometer observations have been made of Comet Halley's forbidden O I 6300 A emission. The 0.2 A resolution of the spectral scans was sufficient to resolve the O I forbidden line emissions from both nearby cometary NH2 and telluric emissions. On the basis of these measurements, the production rate Q of O(1D) was determined; it is then found, by taking into account the photodissociation of H2O and OH as sources of O(1D), that the ratio of H2O/O(1D) production rates is of the order of 6.

  16. GaAs solar cell photoresponse modeling using PC-1D V2.1

    NASA Technical Reports Server (NTRS)

    Huber, D. A.; Olsen, L. C.; Dunham, G.; Addis, F. W.

    1991-01-01

    Photoresponse data of high efficiency GaAs solar cells were analyzed using PC-1D V2.1. The approach required to use PC-1D for photoresponse data analysis, and the physical insights gained from performing the analysis are discussed. In particular, the effect of Al(x)Ga(1-x)As heteroface quality was modeled. Photoresponse or spectral quantum efficiency is an important tool in characterizing material quality and predicting cell performance. The strength of the photoresponse measurement lies in the ability to precisely fit the experimental data with a physical model. PC-1D provides a flexible platform for calculations based on these physical models.

  17. Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.

    PubMed

    Otake, Ken-Ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi

    2016-03-01

    One-dimensional (1D) electronic systems have attracted significant attention for a long time because of their various physical properties. Among 1D electronic systems, 1D halogen-bridged mixed-valence transition-metal complexes (the so-called MX chains) have been thoroughly studied owing to designable structures and electronic states. Here, we report the syntheses, structures, and electronic properties of three kinds of novel neutral MX-chain complexes. The crystal structures consist of 1D chains of Pt-X repeating units with (1R,2R)-(-)-diaminocychlohexane and CN(-) in-plane ligands. Because of the absence of a counteranion, the neutral MX chains have short interchain distances, so that strong interchain electronic interaction is expected. Resonance Raman spectra and diffuse-reflectance UV-vis spectra indicate that their electronic states are mixed-valence states (charge-density-wave state: Pt(2+)···X-Pt(4+)-X···Pt(2+)···X-Pt(4+)-X···). In addition, the relationship between the intervalence charge-transfer (IVCT) band gap and the degree of distortion of the 1D chain shows that the neutral MX chains have a larger IVCT band gap than that of cationic MX-chain complexes. These results provide new insight into the physical and electronic properties of 1D chain compounds. PMID:26901774

  18. 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)

  19. 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…

  20. Ubiquitination and degradation of the hominoid-specific oncoprotein TBC1D3 is regulated by protein palmitoylation

    SciTech Connect

    Kong, Chen; Lange, Jeffrey J.; Samovski, Dmitri; Su, Xiong; Liu, Jialiu; Sundaresan, Sinju; Stahl, Philip D.

    2013-05-03

    Highlights: •Hominoid-specific oncogene TBC1D3 is targeted to plasma membrane by palmitoylation. •TBC1D3 is palmitoylated on two cysteine residues: 318 and 325. •TBC1D3 palmitoylation governs growth factors-induced TBC1D3 degradation. •Post-translational modifications may regulate oncogenic properties of TBC1D3. -- Abstract: Expression of the hominoid-specific oncoprotein TBC1D3 promotes enhanced cell growth and proliferation by increased activation of signal transduction through several growth factors. Recently we documented the role of CUL7 E3 ligase in growth factors-induced ubiquitination and degradation of TBC1D3. Here we expanded our study to discover additional molecular mechanisms that control TBC1D3 protein turnover. We report that TBC1D3 is palmitoylated on two cysteine residues: 318 and 325. The expression of double palmitoylation mutant TBC1D3:C318/325S resulted in protein mislocalization and enhanced growth factors-induced TBC1D3 degradation. Moreover, ubiquitination of TBC1D3 via CUL7 E3 ligase complex was increased by mutating the palmitoylation sites, suggesting that depalmitoylation of TBC1D3 makes the protein more available for ubiquitination and degradation. The results reported here provide novel insights into the molecular mechanisms that govern TBC1D3 protein degradation. Dysregulation of these mechanisms in vivo could potentially result in aberrant TBC1D3 expression and promote oncogenesis.