WorldWideScience

Sample records for edge states nucleate

  1. Stability of edge states and edge magnetism in graphene nanoribbons

    OpenAIRE

    Kunstmann, Jens; Özdoğan, Cem; Quandt, Alexander; Fehske, Holger

    2010-01-01

    We critically discuss the stability of edge states and edge magnetism in zigzag edge graphene nanoribbons (ZGNRs). We point out that magnetic edge states might not exist in real systems, and show that there are at least three very natural mechanisms - edge reconstruction, edge passivation, and edge closure - which dramatically reduce the effect of edge states in ZGNRs or even totally eliminate them. Even if systems with magnetic edge states could be made, the intrinsic magnetism would not be ...

  2. Homogeneous nucleation in 4He: A corresponding-states analysis

    International Nuclear Information System (INIS)

    Sinha, D.N.; Semura, J.S.; Brodie, L.C.

    1982-01-01

    We report homogeneous-nucleation-temperature measurements in liquid 4 He over a bath-temperature range 2.31 4 He, in a region far from the critical point. A simple empirical form is presented for estimating the homogeneous nucleation temperatures for any liquid with a spherically symmetric interatomic potential. The 4 He data are compared with nucleation data for Ar, Kr, Xe, and H; theoretical predictions for 3 He are given in terms of reduced quantities. It is shown that the nucleation data for both quantum and classical liquids obey a quantum law of corresponding states (QCS). On the basis of this QCS analysis, predictions of homogeneous nucleation temperatures are made for hydrogen isotopes such as HD, DT, HT, and T 2

  3. Flux nucleation in the current-induced resistive state of a constricted type I superconductor

    International Nuclear Information System (INIS)

    Selig, K.P.; Huebener, R.P.

    1981-01-01

    The current-induced resistive state in a constricted type I superconductor is characterized by a train of flux tubes traversing the sample perpendicular to the direction of the applied current following its nucleation at the sample edge. The temporal structure of the nucleation process can be investigated by attempting to synchronize this process with small periodic current pulses superimposed on the direct bias current. The resistive dc voltage is then to be measured as a function of the pulse parameters such as frequency and width. We have performed such experiments at 4.2 K on constricted Pb films of 6--8 μm thickness and 100 μm width. Simultaneously with the electrical measurements the dynamic behavior of the flux tubes was directly observed using a stroboscopic magnetooptical method for magnetic flux detection. Our electrical measurements clearly show how the size of the nucleated flux tubes varies with the direct bias current and the nucleation frequency. The positive wall energy in the Pb films results in a lower limit for this size as expected. The influence of the preceding flux tubes still existing within the constriction upon the flux nucleation process is revealed in detail. All observations can be understood from a consideration of the energy balance during the flux nucleation process

  4. The role of <100> edge dislocations in nucleating radiation-induced colloid particles in sodium chloride

    Energy Technology Data Exchange (ETDEWEB)

    Teutonico, L.J.

    1982-09-01

    A theoretical program to investigate the role of dislocations in the nucleation of sodium colloids in irradiated rock salt has been outlined. As the first study in the investigation the interaction of radiation-produced defects with the <001> edge dislocation in rock salt, i.e., the edge dislocation in the principal slip system of NaCl, has been considered. The interaction potential between a symmetric defect and the <001> edge dislocation has been determined on the basis of anisotropic elasticity theory. The potential arises from the interaction between the long-range stress field of the dislocation and the displacements around the point defect. The corresponding flow lines, i.e., the lines along which the defects flow to the dislocation, have also been determined. In general, the flow lines are closed loops passing through the center of the dislocation. One of the novel features introduced by anisotropy is the possibility of open flow lines for certain elastic constant values. Along some of these open flow lines defects are attracted to the dislocation, whereas long others defects are repelled from the dislocation of common plane. 33 refs., 17 figs.

  5. Floquet edge states in germanene nanoribbons

    KAUST Repository

    Tahir, Muhammad; Zhang, Qingyun; Schwingenschlö gl, Udo

    2016-01-01

    We theoretically demonstrate versatile electronic properties of germanene monolayers under circularly, linearly, and elliptically polarized light. We show for the high frequency regime that the edge states can be controlled by tuning the amplitude

  6. Preparation of edge states by shaking boundaries

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Z.C. [Department of Physics, Fuzhou University, Fuzhou 350002 (China); Center for Quantum Sciences and School of Physics, Northeast Normal University, Changchun 130024 (China); Hou, S.C. [Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang, Sichuan (China); Wang, L.C. [School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024 (China); Yi, X.X., E-mail: yixx@nenu.edu.cn [Center for Quantum Sciences and School of Physics, Northeast Normal University, Changchun 130024 (China)

    2016-10-15

    Preparing topological states of quantum matter, such as edge states, is one of the most important directions in condensed matter physics. In this work, we present a proposal to prepare edge states in Aubry–André–Harper (AAH) model with open boundaries, which takes advantage of Lyapunov control to design operations. We show that edge states can be obtained with almost arbitrary initial states. A numerical optimalization for the control is performed and the dependence of control process on the system size is discussed. The merit of this proposal is that the shaking exerts only on the boundaries of the model. As a by-product, a topological entangled state is achieved by elaborately designing the shaking scheme.

  7. At the edges of states

    DEFF Research Database (Denmark)

    Eilenberg, Michael

    This book rests on the premises that borders such as that between Indonesia and Malaysia offer an exciting study arena that can tell us important things about how marginal citizens relate to their nation-state and in particular how alliances, with their competing and multiple loyalties, are managed...... of statehood, the borderland has become a place were central state authorities are often most eager to govern and exercise power. But as illustrated throughout this book, the borderland is also a place were state authority is most likely to be challenged, questioned and manipulated as local communities often...

  8. Intermediate Nucleation State of GaN Growth

    Science.gov (United States)

    Zheng, L. X.; Xie, M. H.; Tong, S. Y.

    2001-03-01

    Homoexpitaxial nucleation of GaN during molecular-beam epitaxy is followed by scanning tunneling microcopy (STM). We observe a metastable nucleation state, which manifests as “ghost” islands in STM images. These “ghost” islands can be irreversibly driven into normal islands by continuous STM imaging. It is further established that the “ghost” island formation is related to the presence of excess Ga atoms on the surface: Normal islands are only seen under the N-rich or stoichiometric flux condition, whereas “ghost” islands are observed under Ga-rich conditions. For intermediate excess-Ga coverages, both normal and “ghost” islands are present, however, they show distinctly different sizes, suggesting different nucleation states for the two. A growth model is proposed to account for the formation of metastable, “ghost” islands. Kinetic Monte Carlo simulation is carried out and main features of the surface are reproduced. We acknowledge financial support from HK RGC under grant Nos. 7396/00P, 7142/99P, and 7121/00P.

  9. Floquet edge states in germanene nanoribbons

    KAUST Repository

    Tahir, Muhammad

    2016-08-23

    We theoretically demonstrate versatile electronic properties of germanene monolayers under circularly, linearly, and elliptically polarized light. We show for the high frequency regime that the edge states can be controlled by tuning the amplitude of the light and by applying a static electric field. For circularly polarized light the band gap in one valley is reduced and in the other enhanced, enabling single valley edge states. For linearly polarized light spin-split states are found for both valleys, being connected by time reversal symmetry. The effects of elliptically polarized light are similar to those of circularly polarized light. The transport properties of zigzag nanoribbons in the presence of disorder confirm a nontrivial nature of the edge states under circularly and elliptically polarized light.

  10. Steady-state subcooled nucleate boiling on a downward facing hemispherical surface

    International Nuclear Information System (INIS)

    Haddad, K.H.; Cheung, F.B.

    1996-01-01

    Steady-state nucleate boiling heat transfer experiments in saturated and subcooled water were conducted. The heating surface was a 0.305 m hemispherical aluminum vessel heated from the inside with water boiling on the outside. It was found that subcooling had very little effect on the nucleate boiling curve in the high heat flux regime where latent heat transport dominated. On the other hand, a relatively large effect of subcooling was observed in the low heat flux regime where sensible heat transport was important. Photographic records of the boiling phenomenon and the bubble dynamics indicated that in the high heat flux regime, boiling in the bottom center region of the vessel was cyclic in nature with a liquid heating phase, a bubble nucleation and growth phase, a bubble coalescence phase, and a large vapor mass ejection phase. At the same heat flux level, the size of the vapor masses was found to decrease from the bottom center toward the upper edge of the vessel, which was consistent with the observed increase in the critical heat flux in the flow direction along the curved heating surface

  11. Refining Nodes and Edges of State Machines

    DEFF Research Database (Denmark)

    Hallerstede, Stefan; Snook, Colin

    2011-01-01

    State machines are hierarchical automata that are widely used to structure complex behavioural specifications. We develop two notions of refinement of state machines, node refinement and edge refinement. We compare the two notions by means of examples and argue that, by adopting simple conventions...... refinement theory and UML-B state machine refinement influences the style of node refinement. Hence we propose a method with direct proof of state machine refinement avoiding the detour via Event-B that is needed by UML-B....

  12. Ice nucleation on nanotextured surfaces: the influence of surface fraction, pillar height and wetting states.

    Science.gov (United States)

    Metya, Atanu K; Singh, Jayant K; Müller-Plathe, Florian

    2016-09-29

    In this work, we address the nucleation behavior of a supercooled monatomic cylindrical water droplet on nanoscale textured surfaces using molecular dynamics simulations. The ice nucleation rate at 203 K on graphite based textured surfaces with nanoscale roughness is evaluated using the mean fast-passage time method. The simulation results show that the nucleation rate depends on the surface fraction as well as the wetting states. The nucleation rate enhances with increasing surface fraction for water in the Cassie-Baxter state, while contrary behavior is observed for the case of Wenzel state. Based on the spatial histogram distribution of ice formation, we observed two pathways for ice nucleation. Heterogeneous nucleation is observed at a high surface fraction. However, the probability of homogeneous ice nucleation events increases with decreasing surface fraction. We further investigate the role of the nanopillar height in ice nucleation. The nucleation rate is enhanced with increasing nanopillar height. This is attributed to the enhanced contact area with increasing nanopillar height and the shift in nucleation events towards the three-phase contact line associated with the nanotextured surface. The ice-surface work of adhesion for the Wenzel state is found to be 1-2 times higher than that in the Cassie-Baxter state. Furthermore, the work of adhesion of ice in the Wenzel state is found to be linearly dependent on the contour length of the droplet, which is in line with that reported for liquid droplets.

  13. Edge states in a ferromagnetic honeycomb lattice with armchair boundaries

    Science.gov (United States)

    Pantaleón, Pierre A.; Xian, Y.

    2018-02-01

    We investigate the properties of magnon edge states in a ferromagnetic honeycomb lattice with armchair boundaries. In contrast with fermionic graphene, we find novel edge states due to the missing bonds along the boundary sites. After introducing an external on-site potential at the outermost sites we find that the energy spectra of the edge states are tunable. Additionally, when a non-trivial gap is induced, we find that some of the edge states are topologically protected and also tunable. Our results may explain the origin of the novel edge states recently observed in photonic lattices. We also discuss the behavior of these edge states for further experimental confirmations.

  14. Edge states in quantum Hall effect in graphene

    International Nuclear Information System (INIS)

    Gusynin, V.P.; Miransky, V.A.; Sharapov, S.G.; Shovkovy, I.A.

    2008-01-01

    We review recent results concerning the spectrum of edge states in the quantum Hall effect in graphene. In particular, special attention is paid to the derivation of the conditions under which gapless edge states exist in the spectrum of graphene with 'zigzag' and 'armchair' edges. It is found that in the case of a half-plane or a ribbon with zigzag edges, there are gapless edge states only when a spin gap dominates over a Dirac mass gap. In the case of a half-plane with an armchair edge, the existence of the gapless edge states depends on the specific type of Dirac mass gaps. The implications of these results for the dynamics in the quantum Hall effect in graphene are discussed

  15. Passive measurement of flux nucleation in the current-induced resistive state of type I superconductors

    International Nuclear Information System (INIS)

    Selig, K.P.; Chimenti, D.E.; Huebener, R.P.

    1978-01-01

    Flux-tube nucleation rates have been measured in the current-induced resistive state of type I superconducting In films between 1.5 and 2.0 K by a completely passive technique. Indication of periodic nucleation is observed only in narrow regions of sample voltage drop, whose position is a sensitive function of temperature. Frequency bandwidth measurements of the nucleation rate yield a spectral purity of one part in 10 4 within the narrow regions where an experimental signal can be detected. (orig.) [de

  16. Steady-state molecular dynamics simulation of vapor to liquid nucleation with Mc Donald's demon

    International Nuclear Information System (INIS)

    Horsch, M.; Miroshnichenko, S.; Vrabec, J.

    2009-01-01

    Grand canonical MD with McDonald's demon is discussed in the present contribution and applied for sampling both nucleation kinetics and steady-state properties of a supersaturated vapor. The idea behind the new approach is to simulate the production of clusters up to a given size for a specified supersaturation. The classical nucleation theory is found to overestimate the free energy of cluster formation and deviate by two orders of magnitude from the nucleation rate below the triple point at high supersaturations.

  17. Two-dimensionally confined topological edge states in photonic crystals

    International Nuclear Information System (INIS)

    Barik, Sabyasachi; Miyake, Hirokazu; DeGottardi, Wade; Waks, Edo; Hafezi, Mohammad

    2016-01-01

    We present an all-dielectric photonic crystal structure that supports two-dimensionally confined helical topological edge states. The topological properties of the system are controlled by the crystal parameters. An interface between two regions of differing band topologies gives rise to topological edge states confined in a dielectric slab that propagate around sharp corners without backscattering. Three-dimensional finite-difference time-domain calculations show these edges to be confined in the out-of-plane direction by total internal reflection. Such nanoscale photonic crystal architectures could enable strong interactions between photonic edge states and quantum emitters. (paper)

  18. Antichiral Edge States in a Modified Haldane Nanoribbon

    Science.gov (United States)

    Colomés, E.; Franz, M.

    2018-02-01

    Topological phases of fermions in two dimensions are often characterized by chiral edge states. By definition, these propagate in opposite directions at the two parallel edges when the sample geometry is that of a rectangular strip. We introduce here a model which exhibits what we call "antichiral" edge modes. These propagate in the same direction at both parallel edges of the strip and are compensated by counterpropagating modes that reside in the bulk. General arguments and numerical simulations show that backscattering is suppressed even when strong disorder is present in the system. We propose a feasible experimental realization of a system showing such antichiral edge modes in transition metal dichalcogenide monolayers.

  19. Acoustic analog of monolayer graphene and edge states

    International Nuclear Information System (INIS)

    Zhong, Wei; Zhang, Xiangdong

    2011-01-01

    Acoustic analog of monolayer graphene has been designed by using silicone rubber spheres of honeycomb lattices embedded in water. The dispersion of the structure has been studied theoretically using the rigorous multiple-scattering method. The energy spectra with the Dirac point have been verified and zigzag edge states have been found in ribbons of the structure, which are analogous to the electronic ones in graphene nanoribbons. The guided modes along the zigzag edge excited by a point source have been numerically demonstrated. The open cavity and 'Z' type edge waveguide with 60 o corners have also been realized by using such edge states. -- Highlights: → Acoustic analog of monolayer graphene has been designed. → The energy spectra with the Dirac point have been verified. → The zigzag edge states have been found in ribbons of the structure. → The guided modes excited by a point source have been demonstrated. → The open cavity and 'Z' type edge waveguide have been realized.

  20. Effective Hamiltonian for protected edge states in graphene

    International Nuclear Information System (INIS)

    Winkler, R.; Deshpande, H.

    2017-01-01

    Edge states in topological insulators (TIs) disperse symmetrically about one of the time-reversal invariant momenta Λ in the Brillouin zone (BZ) with protected degeneracies at Λ. Commonly TIs are distinguished from trivial insulators by the values of one or multiple topological invariants that require an analysis of the bulk band structure across the BZ. We propose an effective two-band Hamiltonian for the electronic states in graphene based on a Taylor expansion of the tight-binding Hamiltonian about the time-reversal invariant M point at the edge of the BZ. This Hamiltonian provides a faithful description of the protected edge states for both zigzag and armchair ribbons, though the concept of a BZ is not part of such an effective model. In conclusion, we show that the edge states are determined by a band inversion in both reciprocal and real space, which allows one to select Λ for the edge states without affecting the bulk spectrum.

  1. Edge states of a three-dimensional topological insulator

    International Nuclear Information System (INIS)

    Deb, Oindrila; Sen, Diptiman; Soori, Abhiram

    2014-01-01

    We use the bulk Hamiltonian for a three-dimensional topological insulator such as Bi 2 Se 3 to study the states which appear on its various surfaces and along the edge between two surfaces. We use both analytical methods based on the surface Hamiltonians (which are derived from the bulk Hamiltonian) and numerical methods based on a lattice discretization of the bulk Hamiltonian. We find that the application of a potential barrier along an edge can give rise to states localized at that edge. These states have an unusual energy-momentum dispersion which can be controlled by applying a potential along the edge; in particular, the velocity of these states can be tuned to zero. The scattering and conductance across the edge is studied as a function of the edge potential. We show that a magnetic field in a particular direction can also give rise to zero energy states on certain edges. We point out possible experimental ways of looking for the various edge states. (paper)

  2. Edge states and phase diagram for graphene under polarized light

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yi-Xiang, E-mail: wangyixiang@jiangnan.edu.cn [School of Science, Jiangnan University, Wuxi 214122 (China); Li, Fuxiang [Center for Nonlinear Studies and Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2016-07-01

    In this work, we investigate the topological phase transitions in graphene under the modulation of circularly polarized light, by analyzing the changes of edge states and its topological structures. A full phase diagram, with several different topological phases, is presented in the parameter space spanned by the driving frequency and light strength. We find that the high-Chern number behavior is very common in the driven system. While the one-photon resonance can create the chiral edge states in the π-gap, the two-photon resonance will induce the counter-propagating edge modes in the zero-energy gap. When the driving light strength is strong, the number and even the chirality of the edge states may change in the π-gap. The robustness of the edge states to disorder potential is also examined. We close by discussing the feasibility of experimental proposals.

  3. Engineering topological edge states in two dimensional magnetic photonic crystal

    Science.gov (United States)

    Yang, Bing; Wu, Tong; Zhang, Xiangdong

    2017-01-01

    Based on a perturbative approach, we propose a simple and efficient method to engineer the topological edge states in two dimensional magnetic photonic crystals. The topological edge states in the microstructures can be constructed and varied by altering the parameters of the microstructure according to the field-energy distributions of the Bloch states at the related Bloch wave vectors. The validity of the proposed method has been demonstrated by exact numerical calculations through three concrete examples. Our method makes the topological edge states "designable."

  4. Current state of aerosol nucleation parameterizations for air-quality and climate modeling

    Science.gov (United States)

    Semeniuk, Kirill; Dastoor, Ashu

    2018-04-01

    Aerosol nucleation parameterization models commonly used in 3-D air quality and climate models have serious limitations. This includes classical nucleation theory based variants, empirical models and other formulations. Recent work based on detailed and extensive laboratory measurements and improved quantum chemistry computation has substantially advanced the state of nucleation parameterizations. In terms of inorganic nucleation involving BHN and THN including ion effects these new models should be considered as worthwhile replacements for the old models. However, the contribution of organic species to nucleation remains poorly quantified. New particle formation consists of a distinct post-nucleation growth regime which is characterized by a strong Kelvin curvature effect and is thus dependent on availability of very low volatility organic species or sulfuric acid. There have been advances in the understanding of the multiphase chemistry of biogenic and anthropogenic organic compounds which facilitate to overcome the initial aerosol growth barrier. Implementation of processes influencing new particle formation is challenging in 3-D models and there is a lack of comprehensive parameterizations. This review considers the existing models and recent innovations.

  5. Ground state analysis of magnetic nanographene molecules with modified edge

    International Nuclear Information System (INIS)

    Gorjizadeh, Narjes; Ota, Norio; Kawazoe, Yoshiyuki

    2013-01-01

    Highlights: ► Graphene molecules can become ferromagnetic by edge modifications. ► Dihydrogenation of one zigzag edge of rectangular flakes make them ferromagnetic. ► Triangular flakes become high-spin state by dehydrogenization of one zigzag edge. - Abstract: We study spin states of edge modified nanographene molecules with rectangular and triangular shapes by first principle calculations using density functional theory (DFT) and Hartree–Fock (HF) methods with Møller–Plesset (MP) correlation energy correction at different levels. Anthracene (C 14 H 10 ) and phenalenyl (C 13 H 9 ), which contain three benzene rings combined in two different ways, can be considered as fragments of a graphene sheet. Carbon-based ferromagnetic materials are of great interest both in fundamental science and technological potential in organic spintronics devices. We show that non-magnetic rectangular molecules such as C 14 H 10 can become ferromagnetic with high-spin state as the ground state by dihydrogenization of one of the zigzag edges, while triangular molecules such as C 13 H 9 become ferromagnetic with high-spin state by dehydrogenization of one of the zigzag edges

  6. Steady-state nucleate pool boiling mechanism at low heat fluxes

    International Nuclear Information System (INIS)

    Bastos, L.E.G.

    1979-01-01

    Heat is transfered in the steady state to a horizontal cooper disc inmersed in water at saturation temperature. Levels of heat flux are controlled so that convection and the nucleate boiling can be observed. The value of heat flux is determined experimentally and high speed film is used to record bubble growth. In order to explain the phenomenon the oretical model is proposed in which part of the heat is transfered by free convection during nucleate boiling regime. Agreement between the experiments and the theoretical model is good. (Author) [pt

  7. Theory of Magnetic Edge States in Chiral Graphene Nanoribbons

    Science.gov (United States)

    Capaz, Rodrigo; Yazyev, Oleg; Louie, Steven

    2011-03-01

    Using a model Hamiltonian approach including electron Coulomb interactions, we systematically investigate the electronic structure and magnetic properties of chiral graphene nanoribbons. We show that the presence of magnetic edge states is an intrinsic feature of any smooth graphene nanoribbons with chiral edges, and discover a number of structure-property relations. Specifically, we describe how the edge-state energy gap, zone-boundary edge-state energy splitting, and magnetic moment per edge length depend on the nanoribbon width and chiral angle. The role of environmental screening effects is also studied. Our results address a recent experimental observation of signatures of magnetic ordering at smooth edges of chiral graphene nanoribbons and provide an avenue towards tuning their properties via the structural and environmental degrees of freedom. This work was supported by National Science Foundation Grant No. DMR10-1006184, the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 and the ONR MURI program. RBC acknowledges financial support from Brazilian agencies CNPq, FAPERJ and INCT-Nanomateriais de Carbono.

  8. Toward the Synthesis of Sub-15 nm Ag Nanocubes with Sharp Corners and Edges: The Roles of Heterogeneous Nucleation and Surface Capping.

    Science.gov (United States)

    Ruditskiy, Aleksey; Xia, Younan

    2016-03-09

    We report a polyol method for the facile synthesis of Ag nanocubes having sharp corners and edges, together with edge lengths below 15 nm. The rapid nucleation of Ag atoms was facilitated through the addition of a trace amount of SH(-) to generate Ag2S clusters while the corners and edges of the nanocubes were sharpened through the introduction of Br(-) as a regulator of the growth kinetics and a capping agent for the Ag(100) surface. Because of their much smaller size relative to the more commonly used capping agent based on poly(vinylpyrrolidone), Br(-) ions are more effective in passivating the {100} facets on very small Ag nanocubes. The mechanistic roles of these additives, along with the effects of their interactions with other species present in the reaction solution, were all systematically investigated. The concentration of SH(-) was found to be a particularly effective parameter for tuning the edge length of the nanocubes. As a result of the understanding gained during the course of this study, Ag nanocubes with uniform edge lengths controllable in the range of 13-23 nm could be reliably produced. The nanocubes of 13.4 ± 0.4 nm in edge length constitute the smallest nanocrystals of this kind reported to date; they also possess sharper corners and edges relative to the limited examples of sub-20 nm Ag nanocubes reported in the literature. The availability of such small and sharp Ag nanocubes will open the door to an array of applications in plasmonics, catalysis, and biomedicine.

  9. Anomalous edge states and the bulk-edge correspondence for periodically-driven two dimensional systems

    DEFF Research Database (Denmark)

    Rudner, Mark Spencer; Lindner, Netanel; Berg, Erez

    2013-01-01

    revealed phenomena that cannot be characterized by analogy to the topological classification framework for static systems. In particular, in driven systems in two dimensions (2D), robust chiral edge states can appear even though the Chern numbers of all the bulk Floquet bands are zero. Here, we elucidate...... the crucial distinctions between static and driven 2D systems, and construct a new topological invariant that yields the correct edge-state structure in the driven case. We provide formulations in both the time and frequency domains, which afford additional insight into the origins of the “anomalous” spectra...... that arise in driven systems. Possibilities for realizing these phenomena in solid-state and cold-atomic systems are discussed....

  10. Imaging of Coulomb-Driven Quantum Hall Edge States

    KAUST Repository

    Lai, Keji

    2011-10-01

    The edges of a two-dimensional electron gas (2DEG) in the quantum Hall effect (QHE) regime are divided into alternating metallic and insulating strips, with their widths determined by the energy gaps of the QHE states and the electrostatic Coulomb interaction. Local probing of these submicrometer features, however, is challenging due to the buried 2DEG structures. Using a newly developed microwave impedance microscope, we demonstrate the real-space conductivity mapping of the edge and bulk states. The sizes, positions, and field dependence of the edge strips around the sample perimeter agree quantitatively with the self-consistent electrostatic picture. The evolution of microwave images as a function of magnetic fields provides rich microscopic information around the ν=2 QHE state. © 2011 American Physical Society.

  11. Protected Pseudohelical Edge States in Z2-Trivial Proximitized Graphene

    Science.gov (United States)

    Frank, Tobias; Högl, Petra; Gmitra, Martin; Kochan, Denis; Fabian, Jaroslav

    2018-04-01

    We investigate topological properties of models that describe graphene on realistic substrates which induce proximity spin-orbit coupling in graphene. A Z2 phase diagram is calculated for the parameter space of (generally different) intrinsic spin-orbit coupling on the two graphene sublattices, in the presence of Rashba coupling. The most fascinating case is that of staggered intrinsic spin-orbit coupling which, despite being topologically trivial, Z2=0 , does exhibit edge states protected by time-reversal symmetry for zigzag ribbons as wide as micrometers. We call these states pseudohelical as their helicity is locked to the sublattice. The spin character and robustness of the pseudohelical modes is best exhibited on a finite flake, which shows that the edge states have zero g factor, carry a pure spin current in the cross section of the flake, and exhibit spin-flip reflectionless tunneling at the armchair edges.

  12. A conducting polymer nucleation scheme for efficient solid-state supercapacitors on paper

    KAUST Repository

    Kurra, Narendra; Park, Jihoon; Alshareef, Husam N.

    2014-01-01

    In this study, a thin nucleation layer is used to tune the morphology of conducting polymer electrodes and to optimize the performance of paper based solid-state supercapacitors. It is found that using an acid-treated poly(3,4-ethylenedioxythiophene):polystyrenesulfonate (PEDOT:PSS) nucleation layer, prior to poly(3,4-ethylenedioxythiophene), PEDOT, electrochemical deposition, gives 5-6 times higher areal capacitance compared to a gold metal nucleation layer. Specifically, PEDOT supercapacitors with a high volumetric capacitance of 327 F cm-3, higher than any other PEDOT based supercapacitors reported in the literature, is achieved on the PEDOT:PSS nucleation layer; for the same devices, an areal capacitance of 242 mF cm-2 and an energy density of 14.5 mW h cm-3 at a power density of 350 mW cm-3 are obtained. Furthermore, these optimized PEDOT/PEDOT:PSS/paper electrodes are employed to fabricate solid-state supercapacitors using aqueous and ion gel electrolytes, with 32 and 11 mF cm-2 cell capacitance, respectively. The solid-state PEDOT device showed an energy density of 1.5 mW h cm-3 (normalised to the volume of the whole cell, including both the electrodes and the electrolyte), which is higher than the best reported ppy/paper (E = 1 mW h cm-3) and PAni/pencil/paper (E = 0.32 mW h cm-3) solid-state devices. The cycling performance showed that capacitance retention up to 80% is achieved after 10000 cycles. This journal is

  13. A conducting polymer nucleation scheme for efficient solid-state supercapacitors on paper

    KAUST Repository

    Kurra, Narendra

    2014-08-19

    In this study, a thin nucleation layer is used to tune the morphology of conducting polymer electrodes and to optimize the performance of paper based solid-state supercapacitors. It is found that using an acid-treated poly(3,4-ethylenedioxythiophene):polystyrenesulfonate (PEDOT:PSS) nucleation layer, prior to poly(3,4-ethylenedioxythiophene), PEDOT, electrochemical deposition, gives 5-6 times higher areal capacitance compared to a gold metal nucleation layer. Specifically, PEDOT supercapacitors with a high volumetric capacitance of 327 F cm-3, higher than any other PEDOT based supercapacitors reported in the literature, is achieved on the PEDOT:PSS nucleation layer; for the same devices, an areal capacitance of 242 mF cm-2 and an energy density of 14.5 mW h cm-3 at a power density of 350 mW cm-3 are obtained. Furthermore, these optimized PEDOT/PEDOT:PSS/paper electrodes are employed to fabricate solid-state supercapacitors using aqueous and ion gel electrolytes, with 32 and 11 mF cm-2 cell capacitance, respectively. The solid-state PEDOT device showed an energy density of 1.5 mW h cm-3 (normalised to the volume of the whole cell, including both the electrodes and the electrolyte), which is higher than the best reported ppy/paper (E = 1 mW h cm-3) and PAni/pencil/paper (E = 0.32 mW h cm-3) solid-state devices. The cycling performance showed that capacitance retention up to 80% is achieved after 10000 cycles. This journal is

  14. Imaging of Coulomb-Driven Quantum Hall Edge States

    KAUST Repository

    Lai, Keji; Kundhikanjana, Worasom; Kelly, Michael A.; Shen, Zhi-Xun; Shabani, Javad; Shayegan, Mansour

    2011-01-01

    The edges of a two-dimensional electron gas (2DEG) in the quantum Hall effect (QHE) regime are divided into alternating metallic and insulating strips, with their widths determined by the energy gaps of the QHE states and the electrostatic Coulomb

  15. Ballistic edge states in Bismuth nanowires revealed by SQUID interferometry.

    Science.gov (United States)

    Murani, Anil; Kasumov, Alik; Sengupta, Shamashis; Kasumov, Yu A; Volkov, V T; Khodos, I I; Brisset, F; Delagrange, Raphaëlle; Chepelianskii, Alexei; Deblock, Richard; Bouchiat, Hélène; Guéron, Sophie

    2017-07-05

    The protection against backscattering provided by topology is a striking property. In two-dimensional insulators, a consequence of this topological protection is the ballistic nature of the one-dimensional helical edge states. One demonstration of ballisticity is the quantized Hall conductance. Here we provide another demonstration of ballistic transport, in the way the edge states carry a supercurrent. The system we have investigated is a micrometre-long monocrystalline bismuth nanowire with topological surfaces, that we connect to two superconducting electrodes. We have measured the relation between the Josephson current flowing through the nanowire and the superconducting phase difference at its ends, the current-phase relation. The sharp sawtooth-shaped phase-modulated current-phase relation we find demonstrates that transport occurs selectively along two ballistic edges of the nanowire. In addition, we show that a magnetic field induces 0-π transitions and ϕ 0 -junction behaviour, providing a way to manipulate the phase of the supercurrent-carrying edge states and generate spin supercurrents.

  16. Magnon edge states in the hardcore- Bose-Hubbard model.

    Science.gov (United States)

    Owerre, S A

    2016-11-02

    Quantum Monte Carlo (QMC) simulation has uncovered nonzero Berry curvature and bosonic edge states in the hardcore-Bose-Hubbard model on the gapped honeycomb lattice. The competition between the chemical potential and staggered onsite potential leads to an interesting quantum phase diagram comprising the superfluid phase, Mott insulator, and charge density wave insulator. In this paper, we present a semiclassical perspective of this system by mapping to a spin-1/2 quantum XY model. We give an explicit analytical origin of the quantum phase diagram, the Berry curvatures, and the edge states using semiclassical approximations. We find very good agreement between the semiclassical analyses and the QMC results. Our results show that the topological properties of the hardcore-Bose-Hubbard model are the same as those of magnon in the corresponding quantum spin system. Our results are applicable to systems of ultracold bosonic atoms trapped in honeycomb optical lattices.

  17. Majorana edge States in atomic wires coupled by pair hopping.

    Science.gov (United States)

    Kraus, Christina V; Dalmonte, Marcello; Baranov, Mikhail A; Läuchli, Andreas M; Zoller, P

    2013-10-25

    We present evidence for Majorana edge states in a number conserving theory describing a system of spinless fermions on two wires that are coupled by pair hopping. Our analysis is based on a combination of a qualitative low energy approach and numerical techniques using the density matrix renormalization group. In addition, we discuss an experimental realization of pair-hopping interactions in cold atom gases confined in optical lattices.

  18. The effect of edge and impurities sites properties on their localized states in semi-infinite zigzag edged 2D honeycomb graphene sheet

    OpenAIRE

    Ahmed, Maher

    2011-01-01

    In this work, the tridiagonal method is used to distinguish between edges modes and area modes to study the edge sites properties effect on edge localized states of semi-infinite zigzag 2D honeycomb graphene sheet. The results show a realistic behavior for the dependance of edge localized states of zigzag graphene on the edge sites properties which explaining the experimental results of measured local density of states at the edge of graphene, while at the same time removing the inconsistence...

  19. Magnetic edge states in MoS2 characterized using density-functional theory

    DEFF Research Database (Denmark)

    Vojvodic, Aleksandra; Hinnemann, B.; Nørskov, Jens Kehlet

    2009-01-01

    It is known that the edges of a two-dimensional slab of insulating MoS2 exhibit one-dimensional metallic edge states, the so-called "brim states." Here, we find from density-functional theory calculations that several edge structures, which are relevant for the hydrodesulfurization process......, are magnetic. The magnetism is an edge phenomenon associated with certain metallic edge states. Interestingly, we find that among the two low-index edges, only the S edge displays magnetism under hydrodesulfurization conditions. In addition, the implications of this on the catalytic activity are investigated...

  20. Nucleation of Organic Molecules via a Hot Precursor State: Pentacene on Amorphous Mica

    Science.gov (United States)

    2013-01-01

    Organic thin films have attracted considerable interest due to their applicability in organic electronics. The classical scenario for thin film nucleation is the diffusion-limited aggregation (DLA). Recently, it has been shown that organic thin film growth is better described by attachment-limited aggregation (ALA). However, in both cases, an unusual relationship between the island density and the substrate temperature was observed. Here, we present an aggregation model that goes beyond the classical DLA or ALA models to explain this behavior. We propose that the (hot) molecules impinging on the surface cannot immediately equilibrate to the substrate temperature but remain in a hot precursor state. In this state, the molecules can migrate considerable distances before attaching to a stable or unstable island. This results in a significantly smaller island density than expected by assuming fast equilibration and random diffusion. We have applied our model to pentacene film growth on amorphous Muscovite mica. PMID:24340130

  1. Amplitude-dependent topological edge states in nonlinear phononic lattices

    Science.gov (United States)

    Pal, Raj Kumar; Vila, Javier; Leamy, Michael; Ruzzene, Massimo

    2018-03-01

    This work investigates the effect of nonlinearities on topologically protected edge states in one- and two-dimensional phononic lattices. We first show that localized modes arise at the interface between two spring-mass chains that are inverted copies of each other. Explicit expressions derived for the frequencies of the localized modes guide the study of the effect of cubic nonlinearities on the resonant characteristics of the interface, which are shown to be described by a Duffing-like equation. Nonlinearities produce amplitude-dependent frequency shifts, which in the case of a softening nonlinearity cause the localized mode to migrate to the bulk spectrum. The case of a hexagonal lattice implementing a phononic analog of a crystal exhibiting the quantum spin Hall effect is also investigated in the presence of weakly nonlinear cubic springs. An asymptotic analysis provides estimates of the amplitude dependence of the localized modes, while numerical simulations illustrate how the lattice response transitions from bulk-to-edge mode-dominated by varying the excitation amplitude. In contrast with the interface mode of the first example studies, this occurs both for hardening and softening springs. The results of this study provide a theoretical framework for the investigation of nonlinear effects that induce and control topologically protected wave modes through nonlinear interactions and amplitude tuning.

  2. Edge and line oriented contour detection : State of the art

    NARCIS (Netherlands)

    Papari, Giuseppe; Petkov, Nicolai

    We present an overview of various edge and line oriented approaches to contour detection that have been proposed in the last two decades. By edge and line oriented we mean methods that do not rely on segmentation. Distinction is made between edges and contours. Contour detectors are divided in local

  3. Robustness of edge states in topological quantum dots against global electric field

    Science.gov (United States)

    Qu, Jin-Xian; Zhang, Shu-Hui; Liu, Ding-Yang; Wang, Ping; Yang, Wen

    2017-07-01

    The topological insulator has attracted increasing attention as a new state of quantum matter featured by the symmetry-protected edge states. Although the qualitative robustness of the edge states against local perturbations has been well established, it is not clear how these topological edge states respond quantitatively to a global perturbation. Here, we study the response of topological edge states in a HgTe quantum dot to an external in-plane electric field—a paradigmatic global perturbation in solid-state environments. We find that the stability of the topological edge state could be larger than that of the ground bulk state by several orders of magnitudes. This robustness may be verified by standard transport measurements in the Coulomb blockage regime. Our work may pave the way towards utilizing these topological edge states as stable memory devices for charge and/or spin information and stable emitter of single terahertz photons or entangled terahertz photon pairs for quantum communication.

  4. Principles of nucleation theory

    International Nuclear Information System (INIS)

    Clement, C.F.; Wood, M.H.

    1980-01-01

    The nucleation of small stable species is described in the problem of void growth by discrete rate equations. When gas is being produced the problem reduces to one of calculating the incubation dose for the gas bubble to void transition. A general expression for the steady state nucleation rate is derived for the case when voids are formed by vacancy fluctuations which enable an effective nucleation barrier to be crossed. (author)

  5. Electrically tunable robust edge states in graphene-based topological photonic crystal slabs

    Science.gov (United States)

    Song, Zidong; Liu, HongJun; Huang, Nan; Wang, ZhaoLu

    2018-03-01

    Topological photonic crystals are optical structures supporting topologically protected unidirectional edge states that exhibit robustness against defects. Here, we propose a graphene-based all-dielectric photonic crystal slab structure that supports two-dimensionally confined topological edge states. These topological edge states can be confined in the out-of-plane direction by two parallel graphene sheets. In the structure, the excitation frequency range of topological edge states can be dynamically and continuously tuned by varying bias voltage across the two parallel graphene sheets. Utilizing this kind of architecture, we construct Z-shaped channels to realize topological edge transmission with diffrerent frequencies. The proposal provides a new degree of freedom to dynamically control topological edge states and potential applications for robust integrated photonic devices and optical communication systems.

  6. Asperity-Type Potential Foreshock Sources Driven by Nucleation-Induced Creep within a Rate-and-State Fault Model

    Science.gov (United States)

    Higgins, N.; Lapusta, N.

    2016-12-01

    What physical mechanism drives the occurrence of foreshocks? Many studies have suggested that slow slip from the mainshock nucleation is a necessary ingredient for explaining foreshock observations. We explore this view, investigating asperity-type foreshock sources driven by nucleation-induced creep using rate-and-state fault models, and numerically simulatie their behavior over many rupture cycles. Inspired by the unique laboratory experiments of earthquake nucleation and rupture conducted on a meter-scale slab of granite by McLaskey and colleagues, we model potential foreshock sources as "bumps" on the fault interface by assigning a significantly higher normal compression and, in some cases, increased smoothness (lower characteristic slip) over small patches within a seismogenic fault. In order to study the mechanics of isolated patch-induced seismic events preceding the mainshock, we separate these patches sufficiently in space. The simulation results show that our rate-and-state fault model with patches of locally different properties driven by the slow nucleation of the mainshock is indeed able to produce isolated microseismicity before the mainshock. Remarkably, the stress drops of these precursory events are compatible with observations and approximately independent of the patch compression, despite the wide range of the elevated patch compression used in different simulations. We find that this unexpected property of stress drops for this type of model is due to two factors. Firstly, failure of stronger patches results in rupture further into the surrounding fault, keeping the average stress drop down. Secondly, patches close to their local nucleation size relieve a significant amount of stress via aseismic pre-slip, which also helps to keep the stress drop down. Our current work is directed towards investigating the seismic signature of such events and the potential differences with other types of microseismicity.

  7. Finite size effects on the helical edge states on the Lieb lattice

    International Nuclear Information System (INIS)

    Chen Rui; Zhou Bin

    2016-01-01

    For a two-dimensional Lieb lattice, that is, a line-centered square lattice, the inclusion of the intrinsic spin–orbit (ISO) coupling opens a topologically nontrivial gap, and gives rise to the quantum spin Hall (QSH) effect characterized by two pairs of gapless helical edge states within the bulk gap. Generally, due to the finite size effect in QSH systems, the edge states on the two sides of a strip of finite width can couple together to open a gap in the spectrum. In this paper, we investigate the finite size effect of helical edge states on the Lieb lattice with ISO coupling under three different kinds of boundary conditions, i.e., the straight, bearded and asymmetry edges. The spectrum and wave function of edge modes are derived analytically for a tight-binding model on the Lieb lattice. For a strip Lieb lattice with two straight edges, the ISO coupling induces the Dirac-like bulk states to localize at the edges to become the helical edge states with the same Dirac-like spectrum. Moreover, it is found that in the case with two straight edges the gapless Dirac-like spectrum remains unchanged with decreasing the width of the strip Lieb lattice, and no gap is opened in the edge band. It is concluded that the finite size effect of QSH states is absent in the case with the straight edges. However, in the other two cases with the bearded and asymmetry edges, the energy gap induced by the finite size effect is still opened with decreasing the width of the strip. It is also proposed that the edge band dispersion can be controlled by applying an on-site potential energy on the outermost atoms. (paper)

  8. One-dimensional metallic edge states in MoS2

    DEFF Research Database (Denmark)

    Bollinger, Mikkel; Lauritsen, J.V.; Jacobsen, Karsten Wedel

    2001-01-01

    By the use of density functional calculations it is shown that the edges of a two-dimensional slab of insulating MoS2 exhibit several metallic states. These edge states can be viewed as one-dimensional conducting wires, and we show that they can be observed directly using scanning tunneling...

  9. Optimization of edge state velocity in the integer quantum Hall regime

    Science.gov (United States)

    Sahasrabudhe, H.; Novakovic, B.; Nakamura, J.; Fallahi, S.; Povolotskyi, M.; Klimeck, G.; Rahman, R.; Manfra, M. J.

    2018-02-01

    Observation of interference in the quantum Hall regime may be hampered by a small edge state velocity due to finite phase coherence time. Therefore designing two quantum point contact (QPCs) interferometers having a high edge state velocity is desirable. Here we present a new simulation method for designing heterostructures with high edge state velocity by realistically modeling edge states near QPCs in the integer quantum Hall effect (IQHE) regime. Using this simulation method, we also predict the filling factor at the center of QPCs and their conductance at different gate voltages. The 3D Schrödinger equation is split into 1D and 2D parts. Quasi-1D Schrödinger and Poisson equations are solved self-consistently in the IQHE regime to obtain the potential profile, and quantum transport is used to solve for the edge state wave functions. The velocity of edge states is found to be /B , where is the expectation value of the electric field for the edge state. Anisotropically etched trench gated heterostructures with double-sided delta doping have the highest edge state velocity among the structures considered.

  10. Chemical composition, mixing state, size and morphology of Ice nucleating particles at the Jungfraujoch research station, Switzerland

    Science.gov (United States)

    Ebert, Martin; Worringen, Annette; Kandler, Konrad; Weinbruch, Stephan; Schenk, Ludwig; Mertes, Stephan; Schmidt, Susan; Schneider, Johannes; Frank, Fabian; Nilius, Björn; Danielczok, Anja; Bingemer, Heinz

    2014-05-01

    An intense field campaign from the Ice Nuclei Research Unit (INUIT) was performed in January and February of 2013 at the High-Alpine Research Station Jungfraujoch (3580 m a.s.l., Switzerland). Main goal was the assessment of microphysical and chemical properties of free-tropospheric ice-nucelating particles. The ice-nucleating particles were discriminated from the total aerosol with the 'Fast Ice Nucleation CHamber' (FINCH; University Frankfurt) and the 'Ice-Selective Inlet' (ISI, Paul Scherer Institute) followed by a pumped counter-stream virtual impactor. The separated ice-nucleating particles were then collected with a nozzle-type impactor. With the 'FRankfurt Ice nuclei Deposition freezinG Experiment' (FRIDGE), aerosol particles are sampled on a silicon wafer, which is than exposed to ice-activating conditions in a static diffusion chamber. The locations of the growing ice crystals are recorded for later analysis. Finally, with the ICE Counter-stream Virtual Impactor (ICE-CVI) atmospheric ice crystals are separated from the total aerosol and their water content is evaporated to retain the ice residual particles, which are then collected also by impactor sampling. All samples were analyzed in a high-resolution scanning electron microscope. By this method, for each particle its size, morphology, mixing-state and chemical composition is obtained. In total approximately 1700 ice nucleating particles were analyzed. Based on their chemical composition, the particles were classified into seven groups: silicates, metal oxides, Ca-rich particles, (aged) sea-salt, soot, sulphates and carbonaceous matter. Sea-salt is considered as artifact and is not regarded as ice nuclei here. The most frequent ice nucleating particles/ice residuals at the Jungfraujoch station are silicates > carbonaceous particles > metal oxides. Calcium-rich particles and soot play a minor role. Similar results are obtained by quasi-parallel measurements with an online single particle laser ablation

  11. Topographic and spectroscopic characterization of electronic edge states in CVD grown graphene nanoribbons.

    Science.gov (United States)

    Pan, Minghu; Girão, E Costa; Jia, Xiaoting; Bhaviripudi, Sreekar; Li, Qing; Kong, Jing; Meunier, V; Dresselhaus, Mildred S

    2012-04-11

    We used scanning tunneling microscopy and spectroscopy (STM/S) techniques to analyze the relationships between the edge shapes and the electronic structures in as-grown chemical vapor deposition (CVD) graphene nanoribbons (GNRs). A rich variety of single-layered graphene nanoribbons exhibiting a width of several to 100 nm and up to 1 μm long were studied. High-resolution STM images highlight highly crystalline nanoribbon structures with well-defined and clean edges. Theoretical calculations indicate clear spin-split edge states induced by electron-electron Coulomb repulsion. The edge defects can significantly modify these edge states, and different edge structures for both sides of a single ribbon produce asymmetric electronic edge states, which reflect the more realistic features of CVD grown GNRs. Three structural models are proposed and analyzed to explain the observations. By comparing the models with an atomic resolution image at the edge, a pristine (2,1) structure was ruled out in favor of a reconstructed edge structure composed of 5-7 member rings, showing a better match with experimental results, and thereby suggesting the possibility of a defective morphology at the edge of CVD grown nanoribbons. © 2012 American Chemical Society

  12. Numerical Investigation of Earthquake Nucleation on a Laboratory-Scale Heterogeneous Fault with Rate-and-State Friction

    Science.gov (United States)

    Higgins, N.; Lapusta, N.

    2014-12-01

    Many large earthquakes on natural faults are preceded by smaller events, often termed foreshocks, that occur close in time and space to the larger event that follows. Understanding the origin of such events is important for understanding earthquake physics. Unique laboratory experiments of earthquake nucleation in a meter-scale slab of granite (McLaskey and Kilgore, 2013; McLaskey et al., 2014) demonstrate that sample-scale nucleation processes are also accompanied by much smaller seismic events. One potential explanation for these foreshocks is that they occur on small asperities - or bumps - on the fault interface, which may also be the locations of smaller critical nucleation size. We explore this possibility through 3D numerical simulations of a heterogeneous 2D fault embedded in a homogeneous elastic half-space, in an attempt to qualitatively reproduce the laboratory observations of foreshocks. In our model, the simulated fault interface is governed by rate-and-state friction with laboratory-relevant frictional properties, fault loading, and fault size. To create favorable locations for foreshocks, the fault surface heterogeneity is represented as patches of increased normal stress, decreased characteristic slip distance L, or both. Our simulation results indicate that one can create a rate-and-state model of the experimental observations. Models with a combination of higher normal stress and lower L at the patches are closest to matching the laboratory observations of foreshocks in moment magnitude, source size, and stress drop. In particular, we find that, when the local compression is increased, foreshocks can occur on patches that are smaller than theoretical critical nucleation size estimates. The additional inclusion of lower L for these patches helps to keep stress drops within the range observed in experiments, and is compatible with the asperity model of foreshock sources, since one would expect more compressed spots to be smoother (and hence have

  13. (d -2 ) -Dimensional Edge States of Rotation Symmetry Protected Topological States

    Science.gov (United States)

    Song, Zhida; Fang, Zhong; Fang, Chen

    2017-12-01

    We study fourfold rotation-invariant gapped topological systems with time-reversal symmetry in two and three dimensions (d =2 , 3). We show that in both cases nontrivial topology is manifested by the presence of the (d -2 )-dimensional edge states, existing at a point in 2D or along a line in 3D. For fermion systems without interaction, the bulk topological invariants are given in terms of the Wannier centers of filled bands and can be readily calculated using a Fu-Kane-like formula when inversion symmetry is also present. The theory is extended to strongly interacting systems through the explicit construction of microscopic models having robust (d -2 )-dimensional edge states.

  14. Tunneling between edge states in a quantum spin Hall system.

    Science.gov (United States)

    Ström, Anders; Johannesson, Henrik

    2009-03-06

    We analyze a quantum spin Hall device with a point contact connecting two of its edges. The contact supports a net spin tunneling current that can be probed experimentally via a two-terminal resistance measurement. We find that the low-bias tunneling current and the differential conductance exhibit scaling with voltage and temperature that depend nonlinearly on the strength of the electron-electron interaction.

  15. Mapping Catalytically Relevant Edge Electronic States of MoS2

    Science.gov (United States)

    2018-01-01

    Molybdenum disulfide (MoS2) is a semiconducting transition metal dichalcogenide that is known to be a catalyst for both the hydrogen evolution reaction (HER) as well as for hydro-desulfurization (HDS) of sulfur-rich hydrocarbon fuels. Specifically, the edges of MoS2 nanostructures are known to be far more catalytically active as compared to unmodified basal planes. However, in the absence of the precise details of the geometric and electronic structure of the active catalytic sites, a rational means of modulating edge reactivity remain to be developed. Here we demonstrate using first-principles calculations, X-ray absorption spectroscopy, as well as scanning transmission X-ray microscopy (STXM) imaging that edge corrugations yield distinctive spectroscopic signatures corresponding to increased localization of hybrid Mo 4d states. Independent spectroscopic signatures of such edge states are identified at both the S L2,3 and S K-edges with distinctive spatial localization of such states observed in S L2,3-edge STXM imaging. The presence of such low-energy hybrid states at the edge of the conduction band is seen to correlate with substantially enhanced electrocatalytic activity in terms of a lower Tafel slope and higher exchange current density. These results elucidate the nature of the edge electronic structure and provide a clear framework for its rational manipulation to enhance catalytic activity. PMID:29721532

  16. Symmetrical metallic and magnetic edge states of nanoribbon from semiconductive monolayer PtS2

    Science.gov (United States)

    Liu, Shan; Zhu, Heyu; Liu, Ziran; Zhou, Guanghui

    2018-03-01

    Transition metal dichalcogenides (TMD) MoS2 or graphene could be designed to metallic nanoribbons, which always have only one edge show metallic properties due to symmetric protection. In present work, a nanoribbon with two parallel metallic and magnetic edges was designed from a noble TMD PtS2 by employing first-principles calculations based on density functional theory (DFT). Edge energy, bonding charge density, band structure, density of states (DOS) and simulated scanning tunneling microscopy (STM) of four possible edge states of monolayer semiconductive PtS2 were systematically studied. Detailed calculations show that only Pt-terminated edge state among four edge states was relatively stable, metallic and magnetic. Those metallic and magnetic properties mainly contributed from 5d orbits of Pt atoms located at edges. What's more, two of those central symmetric edges coexist in one zigzag nanoribbon, which providing two atomic metallic wires thus may have promising application for the realization of quantum effects, such as Aharanov-Bohm effect and atomic power transmission lines in single nanoribbon.

  17. On the conductance sum rule for the hierarchical edge states of the fractional quantum hall effect

    International Nuclear Information System (INIS)

    Ma Zhongshui; Chen Yixin; Su Zhaobin.

    1993-09-01

    The conductance sum rule for the hierarchical edge channel currents of a Fractional Quantum Hall Effect state is derived analytically within the Haldane-Halperin hierarchy scheme. We provide also an intuitive interpretation for the hierarchical drift velocities of the edge excitations. (author). 12 refs

  18. Gate-Controlled Transmission of Quantum Hall Edge States in Bilayer Graphene.

    Science.gov (United States)

    Li, Jing; Wen, Hua; Watanabe, Kenji; Taniguchi, Takashi; Zhu, Jun

    2018-02-02

    The edge states of the quantum Hall and fractional quantum Hall effect of a two-dimensional electron gas carry key information of the bulk excitations. Here we demonstrate gate-controlled transmission of edge states in bilayer graphene through a potential barrier with tunable height. The backscattering rate is continuously varied from 0 to close to 1, with fractional quantized values corresponding to the sequential complete backscattering of individual modes. Our experiments demonstrate the feasibility to controllably manipulate edge states in bilayer graphene, thus opening the door to more complex experiments.

  19. Gate-Controlled Transmission of Quantum Hall Edge States in Bilayer Graphene

    Science.gov (United States)

    Li, Jing; Wen, Hua; Watanabe, Kenji; Taniguchi, Takashi; Zhu, Jun

    2018-02-01

    The edge states of the quantum Hall and fractional quantum Hall effect of a two-dimensional electron gas carry key information of the bulk excitations. Here we demonstrate gate-controlled transmission of edge states in bilayer graphene through a potential barrier with tunable height. The backscattering rate is continuously varied from 0 to close to 1, with fractional quantized values corresponding to the sequential complete backscattering of individual modes. Our experiments demonstrate the feasibility to controllably manipulate edge states in bilayer graphene, thus opening the door to more complex experiments.

  20. Topological helical edge states in water waves over a topographical bottom

    KAUST Repository

    Wu, Shi qiao

    2017-11-27

    We present the discovery of topologically protected helical edge states in water wave systems, which are realized in water wave propagating over a topographical bottom whose height is modulated periodically in a two-dimensional triangular pattern. We develop an effective Hamiltonian to characterize the dispersion relation and use spin Chern numbers to classify the topology. Through full wave simulations we unambiguously demonstrate the robustness of the helical edge states which are immune to defects and disorders so that the backscattering loss is significantly reduced. A spin splitter is designed for water wave systems, where helical edge states with different spin orientations are spatially separated with each other, and potential applications are discussed.

  1. Topological helical edge states in water waves over a topographical bottom

    KAUST Repository

    Wu, Shi qiao; Wu, Ying; Mei, Jun

    2017-01-01

    We present the discovery of topologically protected helical edge states in water wave systems, which are realized in water wave propagating over a topographical bottom whose height is modulated periodically in a two-dimensional triangular pattern. We develop an effective Hamiltonian to characterize the dispersion relation and use spin Chern numbers to classify the topology. Through full wave simulations we unambiguously demonstrate the robustness of the helical edge states which are immune to defects and disorders so that the backscattering loss is significantly reduced. A spin splitter is designed for water wave systems, where helical edge states with different spin orientations are spatially separated with each other, and potential applications are discussed.

  2. Valley-filtered edge states and quantum valley Hall effect in gated bilayer graphene.

    Science.gov (United States)

    Zhang, Xu-Long; Xu, Lei; Zhang, Jun

    2017-05-10

    Electron edge states in gated bilayer graphene in the quantum valley Hall (QVH) effect regime can carry both charge and valley currents. We show that an interlayer potential splits the zero-energy level and opens a bulk gap, yielding counter-propagating edge modes with different valleys. A rich variety of valley current states can be obtained by tuning the applied boundary potential and lead to the QVH effect, as well as to the unbalanced QVH effect. A method to individually manipulate the edge states by the boundary potentials is proposed.

  3. Edge State Propagation Direction in the Fractional Quantum Hall Regime: Multi-Terminal Magnetocapacitance Experiment

    International Nuclear Information System (INIS)

    JOHNSON, B.L.; MOON, JEONG-SUN; RENO, JOHN L.; SIMMONS, JERRY A.

    1999-01-01

    The propagation direction of fractional quantum Hall effect (FQHE) edge states has been investigated experimentally via the symmetry properties of the multi-terminal capacitances of a two dimensional electron gas. Although strong asymmetries with respect to zero magnetic field appear, no asymmetries with respect to even denominator Landau level filling factor ν are seen. This indicates that current-carrying FQHE edge states propagate in the same direction as integer QHE edge states. In addition, anomalous capacitance features, indicative of enhanced bulk conduction, are observed at ν = 1/2 and 3/2

  4. Penetration depth and nonlocal manipulation of quantum spin hall edge states in chiral honeycomb nanoribbons.

    Science.gov (United States)

    Xu, Yong; Uddin, Salah; Wang, Jun; Wu, Jiansheng; Liu, Jun-Feng

    2017-08-08

    We have studied numerically the penetration depth of quantum spin hall edge states in chiral honeycomb nanoribbons based on the Green's function method. The changing of edge orientation from armchair to zigzag direction decreases the penetration depth drastically. The penetration depth is used to estimate the gap opened for the finite-size effect. Beside this, we also proposed a nonlocal transistor based on the zigzag-like chiral ribbons in which the current is carried at one edge and the manipulation is by the edge magnetization at the other edge. The difficulty that the edge magnetization is unstable in the presence of a ballistic current can be removed by this nonlocal manipulation.

  5. Magnetism of Nanographene-Based Microporous Carbon and Its Applications: Interplay of Edge Geometry and Chemistry Details in the Edge State

    Science.gov (United States)

    Enoki, Toshiaki; Kiguchi, Manabu

    2018-03-01

    This paper is a contribution to the Physical Review Applied collection in memory of Mildred S. Dresselhaus. Nanographenes have important edge geometry dependence in their electronic structures. In armchair edges, electron wave interference works to contribute to energetic stability. Meanwhile, zigzag edges possess an edge-localized and spin-polarized nonbonding edge state, which causes electronic, magnetic, and chemical activities. In addition to the geometry dependence, the electronic structures are seriously affected by edge chemistry details. The edge chemistry dependence together with edge geometries on the electronic structures are discussed with samples of randomly networked nanographenes (microporous activated carbon fibers) in pristine state and under high-temperature annealing. In the pristine sample with the edges oxidized in ambient atmospheric conditions, the edge state, which is otherwise unstable, can be stabilized because of the charge transfer from nanographene to terminating oxygen. Nanographene, whose edges consist of a combination of magnetic zigzag edges and nonmagnetic armchair edges, is found to be ferrimagnetic with a nonzero net magnetic moment created under the interplay between a strong intrazigzag-edge ferromagnetic interaction and intermediate-strength interzigzag-edge antiferromagnetic-ferromagnetic interaction. At heat-treatment temperatures just below the fusion start (approximately 1500 K), the edge-terminating structure is changed from oxygen-containing groups to hydrogen in the nanographene network. Additionally, hydrogen-terminated zigzag edges, which are present as the majority and chemically unstable, play a triggering role in fusion above 1500 K. The fusion start brings about an insulator-to-metal transition at TI -M˜1500 K . Local fusions taking place percolatively between nanographenes work to expand the π -bond network, eventually resulting in the development of antiferromagnetic short-range order toward spin glass in the

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

    Energy Technology Data Exchange (ETDEWEB)

    Pincak, R., E-mail: pincak@saske.sk [Institute of Experimental Physics, Slovak Academy of Sciences, Watsonova 47, 043 53 Kosice (Slovakia); Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna, Moscow Region (Russian Federation); Smotlacha, J., E-mail: smota@centrum.cz [Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna, Moscow Region (Russian Federation); Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University, Brehova 7, 110 00 Prague (Czech Republic); Osipov, V.A., E-mail: osipov@theor.jinr.ru [Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna, Moscow Region (Russian Federation)

    2015-10-15

    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. Rigorous decoupling between edge states in frustrated spin chains and ladders

    Science.gov (United States)

    Chepiga, Natalia; Mila, Frédéric

    2018-05-01

    We investigate the occurrence of exact zero modes in one-dimensional quantum magnets of finite length that possess edge states. Building on conclusions first reached in the context of the spin-1/2 X Y chain in a field and then for the spin-1 J1-J2 Heisenberg model, we show that the development of incommensurate correlations in the bulk invariably leads to oscillations in the sign of the coupling between edge states, and hence to exact zero energy modes at the crossing points where the coupling between the edge states rigorously vanishes. This is true regardless of the origin of the frustration (e.g., next-nearest-neighbor coupling or biquadratic coupling for the spin-1 chain), of the value of the bulk spin (we report on spin-1/2, spin-1, and spin-2 examples), and of the value of the edge-state emergent spin (spin-1/2 or spin-1).

  8. Ion charge-state production and photoionization near the K edge in argon and potassium

    International Nuclear Information System (INIS)

    Berry, H.G.; Azuma, Y.; Cowan, P.L.; Gemmell, D.S.; LeBrun, T.; Amusia, M.Y.

    1994-01-01

    We have measured the time-of-flight charge distributions of ions of argon and potassium following x-ray absorption at energies near their respective K edges. We confirm previously observed enhancements of the higher charge states at energies up to 100 eV below the K edge in argon. The measurements confirm recent calculations suggesting excitation of a virtual 1s state in this energy range

  9. Tunable Acoustic Valley-Hall Edge States in Reconfigurable Phononic Elastic Waveguides

    Science.gov (United States)

    Liu, Ting-Wei; Semperlotti, Fabio

    2018-01-01

    We investigate the occurrence of acoustic topological edge states in a 2D phononic elastic waveguide due to a phenomenon that is the acoustic analog of the quantum valley Hall effect. We show that a topological transition takes place between two lattices having broken space-inversion symmetry due to the application of a tunable strain field. This condition leads to the formation of gapless edge states at the domain walls, as further illustrated by the analysis of the bulk-edge correspondence and of the associated topological invariants. Interestingly, topological edge states can also be triggered at the boundary of a single domain, when boundary conditions are properly selected. We also show that the static modulation of the strain field allows us to tune the response of the material between the different supported edge states. Although time-reversal symmetry is still intact in this material system, the edge states are topologically protected when intervalley mixing is either weak or negligible. This characteristic enables selective valley injection, which is achieved via synchronized source strategy.

  10. Claiming Authority at the Edges of the State

    DEFF Research Database (Denmark)

    Eilenberg, Michael

    This paper examines state-local relations in the border region of West Kalimantan since decentralisation, with a focus on five ethnic Iban dominated subdistricts within the remote district of Kapuas Hulu, on the border of the Malaysian state of Sarawak. It tracks the fate of a political movement ...

  11. Strong Bulk-Edge Coupling in the Compressible Half-Filled Quantum Hall State

    International Nuclear Information System (INIS)

    Milovanovic, M.V.; Shimshoni, E.

    1999-01-01

    We studied analytically static correlators in the compressible half-filled quantum Hall state, which characterize the nature of charged excitations in the bulk and on the edge of the system. We employ a modified version of the plasma analogy - namely, a mapping to a classical two-dimensional system of interacting particles - similarly to what has been done in studies of the incompressible (Laughlin) states. However, the 'fake plasma' corresponding to the half-filled state is found to have anomalously weak screening properties. As a consequence, the correlations along the edge do not decay algebraically as in the incompressible case, thus indicating the breakdown of Wen's edge theory. On the other hand, the bulk correlator (which parallels the Girvin-MacDonald algebraic off-diagonal long range order) decays algebraically in a similar way as in the incompressible states, signifying the presence of some kind of bosonic order even in the compressible state. The above results suggest that due to the strong coupling between charged modes on the edge and the neutral Fermions (dipoles) in the bulk, the (attractive) correlation hole is not well defined on the edge. Hence, the system there can be modeled as a free Fermi gas of electrons (with an appropriate boundary condition). A possible experimental indication of a strong bulk-edge coupling at half-filling has been indeed observed in non-local resistance measurements [1]. We also suggest, that while our results contradict the validity of an effective one-dimensional description of the edge excitations on the static level, the dynamics may decouple the edge and bulk so as to recover the Laughlin-like behavior apparent in the experiment of Grayson et al

  12. Interaction between the intrinsic edge state and the helical boundary state of topological insulator phase in bilayer graphene

    Energy Technology Data Exchange (ETDEWEB)

    Lü, Xiaoling [School of Materials Science and Engineering, Changchun University of Science and Technology, Changchun 130022 (China); Jiang, Liwei [National Laboratory of Superhard Materials, Department of Physics, Jilin University, Changchun 130012 (China); Zheng, Yisong, E-mail: zhengys@jlu.edu.cn [National Laboratory of Superhard Materials, Department of Physics, Jilin University, Changchun 130012 (China)

    2016-04-22

    Graphene has intrinsic edge states localized at zigzag edge or lattice defect. Helical boundary states can also be established in such a two-dimensional carbon material at the boundary of topological insulator (TI) phase realized by the extrinsic Rashba spin–orbital coupling (SOC) in gated bilayer graphene. We theoretically investigate the interaction between these two kinds of edge (boundary) states when they coexist in a bilayer graphene. We find that this interaction gives rise to some very interesting results. In a zigzag edged nanoribbon of bilayer graphene, it is possible that the TI helical state does not localize at the TI phase boundary. Instead it moves to the nanoribbon edge even though the SOC is absent therein. In a bulk lattice of bilayer graphene embedded with two line defects, the numbers of helical state subbands at the two line defects are not equal to each other. In such a case, the backscattering lacking is still forbidden since the Kramers pairs are valley polarized. - Highlights: • The TI helical state moves to nanoribbon edge in a gated ZENR-BG. • The gapless modes of LD-BG at the two line defects are not equal to each other. • The Kramers pairs are still valley polarized in a gated LD-BG.

  13. Field measurements of hygroscopic properties and state of mixing of nucleation mode particles

    Directory of Open Access Journals (Sweden)

    M. Väkevä

    2002-01-01

    Full Text Available An Ultrafine Tandem Differential Mobility Analyser (UF-TDMA has been used in several field campaigns over the last few years. The investigations were focused on the origin and properties of nucleation event aerosols, which are observed frequently in various environments. This paper gives a summary of the results of 10 nm and 20 nm particle hygroscopic properties from different measurement sites: an urban site, an urban background site and a forest site in Finland and a coastal site in western Ireland. The data can be classified in four hygroscopic growth classes: hydrofobic, less-hygroscopic, more-hygroscopic and sea-salt. Similar classification has been earlier presented for Aitken and accumulation mode particles. In urban air, the summertime 10 nm particles showed varying less-hygroscopic growth behaviour, while winter time 10 nm and 20 nm particles were externally mixed with two different hygroscopic growth modes. The forest measurements revealed diurnal behaviour of hygroscopic growth, with high growth factors at day time and lower during night. The urban background particles had growth behaviour similar to the urban and forest measurement sites depending on the origin of the observed particles. The coastal measurements were strongly affected by air mass history. Both 10 nm and 20 nm particles were hygroscopic in marine background air. The 10 nm particles produced during clean nucleation burst periods were hydrofobic. Diurnal variation and higher growth factors of 10 nm particles were observed in air affected by other source regions. External mixing was occasionally observed at all the sites, but incidents with more than two growth modes were extremely rare.

  14. Observation of topological edge states of acoustic metamaterials at subwavelength scale

    Science.gov (United States)

    Dai, Hongqing; Jiao, Junrui; Xia, Baizhan; Liu, Tingting; Zheng, Shengjie; Yu, Dejie

    2018-05-01

    Topological states are of key importance for acoustic wave systems owing to their unique transport properties. In this study, we develop a hexagonal array of hexagonal columns with Helmholtz resonators to obtain subwavelength Dirac cones. Rotation operations are performed to open the Dirac cones and obtain acoustic valley vortex states. In addition, we calculate the angular-dependent frequencies for the band edges at the K-point. Through a topological phase transition, the topological phase of pattern A can change into that of pattern B. The calculations for the bulk dispersion curves show that the acoustic metamaterials exhibit BA-type and AB-type topological edge states. Experimental results demonstrate that a sound wave can transmit well along the topological path. This study could reveal a simple approach to create acoustic topological edge states at the subwavelength scale.

  15. Gap states and edge properties of rectangular graphene quantum dot in staggered potential

    Science.gov (United States)

    Jeong, Y. H.; Eric Yang, S.-R.

    2017-09-01

    We investigate edge properties of a gapful rectangular graphene quantum dot in a staggered potential. In such a system gap states with discrete and closely spaced energy levels exist that are spatially located on the left or right zigzag edge. We find that, although the bulk states outside the energy gap are nearly unaffected, spin degeneracy of each gap state is lifted by the staggered potential. We have computed the occupation numbers of spin-up and -down gap states at various values of the strength of the staggered potential. The electronic and magnetic properties of the zigzag edges depend sensitively on these numbers. We discuss the possibility of applying this system as a single electron spintronic device.

  16. Gate-controlled tunneling of quantum Hall edge states in bilayer graphene

    Science.gov (United States)

    Zhu, Jun; Li, Jing; Wen, Hua

    Controlled tunneling of integer and fractional quantum Hall edge states provides a powerful tool to probe the physics of 1D systems and exotic particle statistics. Experiments in GaAs 2DEGs employ either a quantum point contact or a line junction tunnel barrier. It is generally difficult to independently control the filling factors νL and νR on the two sides of the barrier. Here we show that in bilayer graphene both νL and νR as well as their Landau level structures can be independently controlled using a dual-split-gate structure. In addition, the height of the line-junction tunnel barrier implemented in our experiments is tunable via a 5th gate. By measuring the tunneling resistance across the junction RT we examine the equilibration of the edge states in a variety of νL/νR scenarios and under different barrier heights. Edge states from both sides are fully mixed in the case of a low barrier. As the barrier height increases, we observe plateaus in RT that correspond to sequential complete backscattering of edge states. Gate-controlled manipulation of edge states offers a new angle to the exploration of quantum Hall magnetism and fractional quantum Hall effect in bilayer graphene.

  17. Droplet and bubble nucleation modeled by density gradient theory – cubic equation of state versus saft model

    Directory of Open Access Journals (Sweden)

    Hrubý Jan

    2012-04-01

    Full Text Available The study presents some preliminary results of the density gradient theory (GT combined with two different equations of state (EoS: the classical cubic equation by van der Waals and a recent approach based on the statistical associating fluid theory (SAFT, namely its perturbed-chain (PC modification. The results showed that the cubic EoS predicted for a given surface tension the density profile with a noticeable defect. Bulk densities predicted by the cubic EoS differed as much as by 100 % from the reference data. On the other hand, the PC-SAFT EoS provided accurate results for density profile and both bulk densities in the large range of temperatures. It has been shown that PC-SAFT is a promising tool for accurate modeling of nucleation using the GT. Besides the basic case of a planar phase interface, the spherical interface was analyzed to model a critical cluster occurring either for nucleation of droplets (condensation or bubbles (boiling, cavitation. However, the general solution for the spherical interface will require some more attention due to its numerical difficulty.

  18. Toward a physics-based rate and state friction law for earthquake nucleation processes in fault zones with granular gouge

    Science.gov (United States)

    Ferdowsi, B.; Rubin, A. M.

    2017-12-01

    Numerical simulations of earthquake nucleation rely on constitutive rate and state evolution laws to model earthquake initiation and propagation processes. The response of different state evolution laws to large velocity increases is an important feature of these constitutive relations that can significantly change the style of earthquake nucleation in numerical models. However, currently there is not a rigorous understanding of the physical origins of the response of bare rock or gouge-filled fault zones to large velocity increases. This in turn hinders our ability to design physics-based friction laws that can appropriately describe those responses. We here argue that most fault zones form a granular gouge after an initial shearing phase and that it is the behavior of the gouge layer that controls the fault friction. We perform numerical experiments of a confined sheared granular gouge under a range of confining stresses and driving velocities relevant to fault zones and apply 1-3 order of magnitude velocity steps to explore dynamical behavior of the system from grain- to macro-scales. We compare our numerical observations with experimental data from biaxial double-direct-shear fault gouge experiments under equivalent loading and driving conditions. Our intention is to first investigate the degree to which these numerical experiments, with Hertzian normal and Coulomb friction laws at the grain-grain contact scale and without any time-dependent plasticity, can reproduce experimental fault gouge behavior. We next compare the behavior observed in numerical experiments with predictions of the Dieterich (Aging) and Ruina (Slip) friction laws. Finally, the numerical observations at the grain and meso-scales will be used for designing a rate and state evolution law that takes into account recent advances in rheology of granular systems, including local and non-local effects, for a wide range of shear rates and slow and fast deformation regimes of the fault gouge.

  19. Semiconducting states and transport in metallic armchair-edged graphene nanoribbons

    International Nuclear Information System (INIS)

    Chen Xiongwen; Wang Haiyan; Wan Haiqing; Zhou Guanghui; Song Kehui

    2011-01-01

    Based on the nonequilibrium Green's function method within the tight-binding approximation scheme, through a scanning tunneling microscopy (STM) model, we study the low-energy electronic states and transport properties of carbon chains in armchair-edged graphene nanoribbons (AGNRs). We show that semiconducting AGNRs possess only semiconducting chains, while metallic ones possess not only metallic chains but also unconventional semiconducting chains located at the 3jth (j≠0) column from the edge (the first chain) due to the vanishing of the metallic component in the electron wavefunction. The two types of states for carbon chains in a metallic AGNR system are demonstrated by different density of states and STM tunneling currents. Moreover, a similar phenomenon is predicted in the edge region of very wide AGNRs. However, there is remarkable difference in the tunneling current between narrow and wide ribbons.

  20. Edge states in gated bilayer-monolayer graphene ribbons and bilayer domain walls

    Science.gov (United States)

    Mirzakhani, M.; Zarenia, M.; Peeters, F. M.

    2018-05-01

    Using the effective continuum model, the electron energy spectrum of gated bilayer graphene with a step-like region of decoupled graphene layers at the edge of the sample is studied. Different types of coupled-decoupled interfaces are considered, i.e., zigzag (ZZ) and armchair junctions, which result in significant different propagating states. Two non-valley-polarized conducting edge states are observed for ZZ type, which are mainly located around the ZZ-ended graphene layers. Additionally, we investigated both BA-BA and BA-AB domain walls in the gated bilayer graphene within the continuum approximation. Unlike the BA-BA domain wall, which exhibits gapped insulating behaviour, the domain walls surrounded by different stackings of bilayer regions feature valley-polarized edge states. Our findings are consistent with other theoretical calculations, such as from the tight-binding model and first-principles calculations, and agree with experimental observations.

  1. High-Harmonic Generation in Solids with and without Topological Edge States

    DEFF Research Database (Denmark)

    Bauer, Dieter; Hansen, Kenneth Christian Klochmann

    2018-01-01

    High-harmonic generation in the two topological phases of a finite, one-dimensional, periodic structure is investigated using a self-consistent time-dependent density functional theory approach. For harmonic photon energies smaller than the band gap, the harmonic yield is found to differ by up...... to 14 orders of magnitude for the two topological phases. This giant topological effect is explained by the degree of destructive interference in the harmonic emission of all valence-band (and edge-state) electrons, which strongly depends on whether or not topological edge states are present...

  2. Dynamics of skyrmions and edge states in the resistive regime of mesoscopic p-wave superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Fernández Becerra, V., E-mail: VictorLeonardo.FernandezBecerra@uantwerpen.be; Milošević, M.V., E-mail: milorad.milosevic@uantwerpen.be

    2017-02-15

    Highlights: • Voltage–current characterization of a mesoscopic p-wave superconducting sample. • Skyrmions and edge states are stabilized with an out-of-plane applied magnetic field. • In the resistive regime, moving skyrmions and the edge state behave distinctly different from the conventional kinematic vortices. - Abstract: In a mesoscopic sample of a chiral p-wave superconductor, novel states comprising skyrmions and edge states have been stabilized in out-of-plane applied magnetic field. Using the time-dependent Ginzburg–Landau equations we shed light on the dynamic response of such states to an external applied current. Three different regimes are obtained, namely, the superconducting (stationary), resistive (non-stationary) and normal regime, similarly to conventional s-wave superconductors. However, in the resistive regime and depending on the external current, we found that moving skyrmions and the edge state behave distinctly different from the conventional kinematic vortex, thereby providing new fingerprints for identification of p-wave superconductivity.

  3. Dimers in nucleating vapors

    Science.gov (United States)

    Lushnikov, A. A.; Kulmala, M.

    1998-09-01

    The dimer stage of nucleation may affect considerably the rate of the nucleation process at high supersaturation of the nucleating vapor. Assuming that the dimer formation limits the nucleation rate, the kinetics of the particle formation-growth process is studied starting with the definition of dimers as bound states of two associating molecules. The partition function of dimer states is calculated by summing the Boltzmann factor over all classical bound states, and the equilibrium population of dimers is found for two types of intermolecular forces: the Lennard-Jones (LJ) and rectangular well+hard core (RW) potentials. The principle of detailed balance is used for calculating the evaporation rate of dimers. The kinetics of the particle formation-growth process is then investigated under the assumption that the trimers are stable with respect to evaporation and that the condensation rate is a power function of the particle mass. If the power exponent λ=n/(n+1) (n is a non-negative integer), the kinetics of the process is described by a finite set of moments of particle mass distribution. When the characteristic time of the particle formation by nucleation is much shorter than that of the condensational growth, n+2 universal functions of a nondimensional time define the kinetic process. These functions are calculated for λ=2/3 (gas-to-particle conversion in the free molecular regime) and λ=1/2 (formation of islands on surfaces).

  4. Topologically protected edge states for out-of-plane and in-plane bulk elastic waves

    Science.gov (United States)

    Huo, Shao-Yong; Chen, Jiu-Jiu; Huang, Hong-Bo

    2018-04-01

    Topological phononic insulators (TPnIs) show promise for application in the manipulation of acoustic waves for the design of low-loss transmission and perfectly integrated communication devices. Since solid phononic crystals exist as a transverse polarization mode and a mixed longitudinal-transverse polarization mode, the realization of topological edge states for both out-of-plane and in-plane bulk elastic waves is desirable to enhance the controllability of the edge waves in solid systems. In this paper, a two-dimensional (2D) solid/solid hexagonal-latticed phononic system that simultaneously supports the topologically protected edge states for out-of-plane and in-plane bulk elastic waves is investigated. Firstly, two pairs of two-fold Dirac cones, respectively corresponding to the out-of-plane and in-plane waves, are obtained at the same frequency by tuning the crystal parameters. Then, a strategy of zone folding is invoked to form double Dirac cones. By shrinking and expanding the steel scatterer, the lattice symmetry is broken, and band inversions induced, giving rise to an intriguing topological phase transition. Finally, the topologically protected edge states for both out-of-plane and in-plane bulk elastic waves, which can be simultaneously located at the frequency range from 1.223 to 1.251 MHz, are numerically observed. Robust pseudospin-dependent elastic edge wave propagation along arbitrary paths is further demonstrated. Our results will significantly broaden its practical application in the engineering field.

  5. 12 CFR 225.121 - Acquisition of Edge corporation affiliate by State member banks of registered bank holding company.

    Science.gov (United States)

    2010-01-01

    ... 12 Banks and Banking 3 2010-01-01 2010-01-01 false Acquisition of Edge corporation affiliate by... Acquisition of Edge corporation affiliate by State member banks of registered bank holding company. (a) The... of the holding company's Edge corporation subsidiary organized under section 25(a) of the Federal...

  6. A comparative study on the edge states in phosphorene quantum dots and rings

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Z.T., E-mail: jiangzhaotan@bit.edu.cn; Liang, F.X.; Zhang, X.D.

    2017-01-30

    Using the tight-binding Hamiltonian approach, we comparatively investigate the energy spectrums of triangular zigzag phosphorene quantum dots (PQDs) and rings (PQRs), as well as their potential applications. In comparison with the outer edge states in the PQD, new extra inner edge states can be produced in the PQR by its internal hole. A transition from the uncoupled to coupled edge states can be induced by decreasing the width between the outer and inner edges of the PQR. Also, the edge states in PQD/PQR are all anisotropically localized in one side, rather than three sides as in triangular graphene quantum dots (QDs) and rings (QRs). Furthermore, the PQD/PQR energy levels can be anisotropically manipulated by the external electric fields and strains, clearly demonstrating their potential applications in field effect transistors or electromechanical devices. In the meanwhile, we also consider the electron probability distributions corresponding to the different energy levels, clearly exposing the characteristics of the PQD/PQR energy levels. The comparison between the asymmetrical triangular PQDs/PQRs and the symmetrical triangular QDs/QRs in graphene should be instructive for understanding the similar triangular QDs/QRs in other two-dimensional layered materials, as well as other types of QDs/QRs of different shapes. - Highlights: • We make a comparative study on the energy levels of the phosphorene quantum dots and rings. • The energy levels can be anisotropically controlled by the electric field and the strains, different from those in graphene counterparts. • The edge states in phosphorene triangular quantum dot and rings are anisotropic. • A helpful reference for understanding phosphorene nanostructures of other shapes and designing devices.

  7. Helical edge states and fractional quantum Hall effect in a graphene electron-hole bilayer.

    Science.gov (United States)

    Sanchez-Yamagishi, Javier D; Luo, Jason Y; Young, Andrea F; Hunt, Benjamin M; Watanabe, Kenji; Taniguchi, Takashi; Ashoori, Raymond C; Jarillo-Herrero, Pablo

    2017-02-01

    Helical 1D electronic systems are a promising route towards realizing circuits of topological quantum states that exhibit non-Abelian statistics. Here, we demonstrate a versatile platform to realize 1D systems made by combining quantum Hall (QH) edge states of opposite chiralities in a graphene electron-hole bilayer at moderate magnetic fields. Using this approach, we engineer helical 1D edge conductors where the counterpropagating modes are localized in separate electron and hole layers by a tunable electric field. These helical conductors exhibit strong non-local transport signals and suppressed backscattering due to the opposite spin polarizations of the counterpropagating modes. Unlike other approaches used for realizing helical states, the graphene electron-hole bilayer can be used to build new 1D systems incorporating fractional edge states. Indeed, we are able to tune the bilayer devices into a regime hosting fractional and integer edge states of opposite chiralities, paving the way towards 1D helical conductors with fractional quantum statistics.

  8. Aerosol charging state at an urban site: new analytical approach and implications for ion-induced nucleation

    Directory of Open Access Journals (Sweden)

    S. Gagné

    2012-05-01

    Full Text Available The charging state of aerosol populations was determined using an Ion-DMPS in Helsinki, Finland between December 2008 and February 2010. We extrapolated the charging state and calculated the ion-induced nucleation fraction to be around 1.3 % ± 0.4 % at 2 nm and 1.3 % ± 0.5 % at 1.5 nm, on average. We present a new method to retrieve the average charging state for a new particle formation event, at a given size and polarity. We improve the uncertainty assessment and fitting technique used previously with an Ion-DMPS. We also use a new theoretical framework that allows for different concentrations of small ions for different polarities (polarity asymmetry. We extrapolate the ion-induced fraction using polarity symmetry and asymmetry. Finally, a method to calculate the growth rates from the behaviour of the charging state as a function of the particle diameter using polarity symmetry and asymmetry is presented and used on a selection of new particle formation events.

  9. Edge state preparation in a one-dimensional lattice by quantum Lyapunov control

    International Nuclear Information System (INIS)

    Zhao, X L; Shi, Z C; Qin, M; Yi, X X

    2017-01-01

    Quantum Lyapunov control uses a feedback control methodology to determine control fields applied to control quantum systems in an open-loop way. In this work, we employ two Lyapunov control schemes to prepare an edge state for a fermionic chain consisting of cold atoms loaded in an optical lattice. Such a chain can be described by the Harper model. Corresponding to the two schemes, two types of quantum Lyapunov functions are considered. The results show that both the schemes are effective at preparing the edge state within a wide range of parameters. We found that the edge state can be prepared with high fidelity even if there are moderate fluctuations of on-site or hopping potentials. Both control schemes can be extended to similar chains (3 m + d , d = 2) of different lengths. Since a regular amplitude control field is easier to apply in practice, an amplitude-modulated control field is used to replace the unmodulated one. Such control approaches provide tools to explore the edge states of one-dimensional topological materials. (paper)

  10. Pseudo-time-reversal symmetry and topological edge states in two-dimensional acoustic crystals

    KAUST Repository

    Mei, Jun

    2016-09-02

    We propose a simple two-dimensional acoustic crystal to realize topologically protected edge states for acoustic waves. The acoustic crystal is composed of a triangular array of core-shell cylinders embedded in a water host. By utilizing the point group symmetry of two doubly degenerate eigenstates at the Î

  11. Pseudo-time-reversal symmetry and topological edge states in two-dimensional acoustic crystals

    KAUST Repository

    Mei, Jun; Chen, Zeguo; Wu, Ying

    2016-01-01

    We propose a simple two-dimensional acoustic crystal to realize topologically protected edge states for acoustic waves. The acoustic crystal is composed of a triangular array of core-shell cylinders embedded in a water host. By utilizing the point group symmetry of two doubly degenerate eigenstates at the Î

  12. Arsenic K-edge X-ray absorption near-edge spectroscopy to determine oxidation states of arsenic of a coastal aquifer–aquitard system

    International Nuclear Information System (INIS)

    Wang, Ya; Jiao, Jiu Jimmy; Zhu, Sanyuan; Li, Yiliang

    2013-01-01

    Determination of oxidation states of solid-phase arsenic in bulk sediments is a valuable step in the evaluation of its bioavailability and environmental fate in deposits, but is difficult when the sediments have low arsenic contents and heterogeneous distribution of arsenic species. As K-edge X-ray absorption near-edge spectroscopy (XANES) was used to determine quantitatively the oxidation states of arsenic in sediments collected from different depths of boreholes in the Pearl River Delta, China, where the highest aquatic arsenic concentration is 161.4 μg/L, but the highest solid arsenic content only 39.6 mg/kg. The results demonstrated that XANES is efficient in determining arsenic oxidation states of the sediments with low arsenic contents and multiple arsenic species. The study on the high-resolution vertical variations of arsenic oxidation states also indicated that these states are influenced strongly by groundwater activities. With the help of geochemical data, solid arsenic speciation, toxicity and availability were further discussed. -- Highlights: •XANES is efficient in determining arsenic oxidation states of the bulk sediments. •Distribution of arsenic oxidation states is consistent with geochemical conditions. •Arsenic oxidation states are influenced strongly by groundwater activities. -- As K-edge X-ray absorption near-edge spectroscopy is efficient in determining arsenic oxidation states of the bulk sediments with low arsenic contents and heterogeneous distribution of arsenic species

  13. Local Convertibility and the Quantum Simulation of Edge States in Many-Body Systems

    Directory of Open Access Journals (Sweden)

    Fabio Franchini

    2014-11-01

    Full Text Available In some many-body systems, certain ground-state entanglement (Rényi entropies increase even as the correlation length decreases. This entanglement nonmonotonicity is a potential indicator of nonclassicality. In this work, we demonstrate that such a phenomenon, known as lack of local convertibility, is due to the edge-state (deconstruction occurring in the system. To this end, we employ the example of the Ising chain, displaying an order-disorder quantum phase transition. Employing both analytical and numerical methods, we compute entanglement entropies for various system bipartitions (A|B and consider ground states with and without Majorana edge states. We find that the thermal ground states, enjoying the Hamiltonian symmetries, show lack of local convertibility if either A or B is smaller than, or of the order of, the correlation length. In contrast, the ordered (symmetry-breaking ground state is always locally convertible. The edge-state behavior explains all these results and could disclose a paradigm to understand local convertibility in other quantum phases of matter. The connection we establish between convertibility and nonlocal, quantum correlations provides a clear criterion of which features a universal quantum simulator should possess to outperform a classical machine.

  14. Circularly polarized near-field optical mapping of spin-resolved quantum Hall chiral edge states.

    Science.gov (United States)

    Mamyouda, Syuhei; Ito, Hironori; Shibata, Yusuke; Kashiwaya, Satoshi; Yamaguchi, Masumi; Akazaki, Tatsushi; Tamura, Hiroyuki; Ootuka, Youiti; Nomura, Shintaro

    2015-04-08

    We have successfully developed a circularly polarized near-field scanning optical microscope (NSOM) that enables us to irradiate circularly polarized light with spatial resolution below the diffraction limit. As a demonstration, we perform real-space mapping of the quantum Hall chiral edge states near the edge of a Hall-bar structure by injecting spin polarized electrons optically at low temperature. The obtained real-space mappings show that spin-polarized electrons are injected optically to the two-dimensional electron layer. Our general method to locally inject spins using a circularly polarized NSOM should be broadly applicable to characterize a variety of nanomaterials and nanostructures.

  15. Environmental induced renormalization effects in quantum Hall edge states due to 1/f noise and dissipation

    International Nuclear Information System (INIS)

    Braggio, A; Ferraro, D; Sassetti, M; Carrega, M; Magnoli, N

    2012-01-01

    We propose a general mechanism for the renormalization of the tunnelling exponents in edge states of the fractional quantum Hall effect. Mutual effects of the coupling with out-of-equilibrium 1/f noise and dissipation are considered for both the Laughlin sequence and the composite co- and counter-propagating edge states with Abelian or non-Abelian statistics. For states with counter-propagating modes, we demonstrate the robustness of the proposed mechanism in the so-called disorder-dominated phase. Prototypes of these states, such as ν = 2/3 and ν = 5/2, are discussed in detail, and the rich phenomenology induced by the presence of a noisy environment is presented. The proposed mechanism could help justify the strong renormalizations reported in many experimental observations carried out at low temperatures. We show how environmental effects could affect the relevance of the tunnelling excitations, leading to important implications, in particular for the ν = 5/2 case. (paper)

  16. Edge states and integer quantum Hall effect in topological insulator thin films.

    Science.gov (United States)

    Zhang, Song-Bo; Lu, Hai-Zhou; Shen, Shun-Qing

    2015-08-25

    The integer quantum Hall effect is a topological state of quantum matter in two dimensions, and has recently been observed in three-dimensional topological insulator thin films. Here we study the Landau levels and edge states of surface Dirac fermions in topological insulators under strong magnetic field. We examine the formation of the quantum plateaux of the Hall conductance and find two different patterns, in one pattern the filling number covers all integers while only odd integers in the other. We focus on the quantum plateau closest to zero energy and demonstrate the breakdown of the quantum spin Hall effect resulting from structure inversion asymmetry. The phase diagrams of the quantum Hall states are presented as functions of magnetic field, gate voltage and chemical potential. This work establishes an intuitive picture of the edge states to understand the integer quantum Hall effect for Dirac electrons in topological insulator thin films.

  17. Edge states of a periodic chain with four-band energy spectrum

    International Nuclear Information System (INIS)

    Eliashvili, Merab; Kereselidze, Davit; Tsitsishvili, George; Tsitsishvili, Mikheil

    2017-01-01

    Tight-binding model on a finite chain is studied with four-fold alternated hopping parameters t_1_,_2_,_3_,_4. Imposing the open boundary conditions, the corresponding recursion is solved analytically with special attention paid to the occurrence of edge states. Corresponding results are strongly corroborated by numeric calculations. It is shown that in the system there exist four different edge phases if the number of sites is odd, and eight edges phases if the chain comprises even number of sites. Phases are labelled by σ_1 ≡ sgn(t_1t_3 − t_2t_4), σ_2 ≡ sgn(t_1t_4 − t_2t_3), and σ_3 ≡ sgn(t_1t_2 − t_3t_4). It is shown that σ_1_,_2_,_3 represent gauge invariant topological indices emerging in the corresponding infinite chains. (author)

  18. The effect of spin-orbit coupling in band structure and edge states of bilayer graphene

    Energy Technology Data Exchange (ETDEWEB)

    Sahdan, Muhammad Fauzi; Darma, Yudi, E-mail: yudi@fi.itb.ac.id [Department of Physics, InstitutTeknologi Bandung, Jalan Ganesa 10, Bandung 40132 (Indonesia)

    2015-04-16

    Topological insulators are predicted to be useful ranging from spintronics to quantum computation. Graphene was first predicted to be the precursor of topological insulator by Kane-Mele. They developed a Hamiltonian model to describe the gap opening in graphene. In this work, we investigate the band structure of bilayer grapheme and also its edge states by using this model with analytical approach. The results of our calculation show that the gap opening occurs at K and K’ point in bilayer graphene.In addition, a pair of gapless edge modes occurs both in the zigzag and arm-chair configurations are no longer exist. There are gap created at the edge even though thery are very small.

  19. Probing spin-polarized edge state superconductivity by Andreev reflection in in-plane magnetic fields

    Energy Technology Data Exchange (ETDEWEB)

    Reinthaler, Rolf W.; Tkachov, Grigory; Hankiewicz, Ewelina M. [Faculty of Physics and Astrophysics, University of Wuerzburg, Wuerzburg (Germany)

    2015-07-01

    Finding signatures of unconventional superconductivity in Quantum Spin Hall systems is one of the challenges of solid state physics. Here we induce superconductivity in a 3D topological insulator thin film to cause the formation of helical edge states, which are protected against backscattering even in finite magnetic fields. Above a critical in-plane magnetic field, which is much smaller than the critical field of typical superconductors, the quasi-particle gap closes, giving rise to energy-dependent spin polarization. In this regime the spin-polarized edge state superconductivity can be detected by Andreev reflection. We propose measurement setups to experimentally observe the spin-dependent excess current and dI/dV characteristics.

  20. Impact of edge states on device performance of phosphorene heterojunction tunneling field effect transistors.

    Science.gov (United States)

    Liu, Fei; Wang, Jian; Guo, Hong

    2016-10-27

    Black phosphorus (BP) tunneling field effect transistors (TFETs) using heterojunctions (Hes) are investigated by atomistic quantum transport simulations. It is observed that edge states have a great impact on the transport characteristics of BP He-TFETs, which results in the potential pinning effect and deterioration of gate control. However, the on-state current can be effectively enhanced by using hydrogen to saturate the edge dangling bonds in BP He-TFETs, by which means edge states are quenched. By extending layered BP with a smaller band gap to the channel region and modulating the BP thickness, the device performance of BP He-TFETs can be further optimized and can fulfil the requirements of the international technology road-map for semiconductors (ITRS) 2013 for low power applications. In 15 nm 3L-1L and 4L-1L BP He-TFETs along the armchair direction the on-state currents are over two times larger than the current required by ITRS 2013 and can reach above 10 3 μA μm -1 with the fixed off-state current of 10 pA μm -1 . It is also found that the ambipolar effect can be effectively suppressed in BP He-TFETs.

  1. High-Harmonic Generation in Solids with and without Topological Edge States

    Science.gov (United States)

    Bauer, Dieter; Hansen, Kenneth K.

    2018-04-01

    High-harmonic generation in the two topological phases of a finite, one-dimensional, periodic structure is investigated using a self-consistent time-dependent density functional theory approach. For harmonic photon energies smaller than the band gap, the harmonic yield is found to differ by up to 14 orders of magnitude for the two topological phases. This giant topological effect is explained by the degree of destructive interference in the harmonic emission of all valence-band (and edge-state) electrons, which strongly depends on whether or not topological edge states are present. The combination of strong-field laser physics with topological condensed matter opens up new possibilities to electronically control strong-field-based light or particle sources or—conversely—to steer by all optical means topological electronics.

  2. Tunable magnetic states on the zigzag edges of hydrogenated and halogenated group-IV nanoribbons

    Science.gov (United States)

    Chuang, Feng-Chuan; Wang, Tzu-Cheng; Hsu, Chia-Hsiu; Huang, Zhi-Quan; Su, Wan-Sheng; Guo, Guang-Yu

    The magnetic and electronic properties of hydrogenated and halogenated group-IV zigzag nanoribbons (ZNRs) are investigated by first-principles density functional calculations. Fascinatingly, we find that all the ZNRs have magnetic edges with a rich variety of electronic and magnetic properties tunable by selecting the parent and passivating elements as well as controlling the magnetization direction and external strain. In particular, the electric property of the edge band structure can be tuned from the conducting to insulating with a band gap up to 0.7 eV, depending on the parent and passivating elements as well as the applied strain, magnetic configuration and magnetization orientation. The last controllability would allow us to develop magnetic on-off nano-switches. Furthermore, ZNRs such as SiI, Ge, GeI and SnH, have fully spin-polarized metallic edge states and thus are promising materials for spintronics. The calculated magnetocrystalline anisotropy energy can be as large as 9 meV/edge-site, being 2000 time greater than that of bulk Ni and Fe ( 5 μeV/atom), and thus has great potential for high density magneto-electric data-storage devices. Finally, the calculated exchange coupling strength and thus magnetic transition temperature increases as the applied strain goes from -5 % to 5 %. Our findings thus show that these ZNRs would have exciting applications in next-generation electronic and spintronic nano-devices.

  3. Climate Impacts of Ice Nucleation

    Science.gov (United States)

    Gettelman, Andrew; Liu, Xiaohong; Barahona, Donifan; Lohmann, Ulrike; Chen, Celia

    2012-01-01

    Several different ice nucleation parameterizations in two different General Circulation Models (GCMs) are used to understand the effects of ice nucleation on the mean climate state, and the Aerosol Indirect Effects (AIE) of cirrus clouds on climate. Simulations have a range of ice microphysical states that are consistent with the spread of observations, but many simulations have higher present-day ice crystal number concentrations than in-situ observations. These different states result from different parameterizations of ice cloud nucleation processes, and feature different balances of homogeneous and heterogeneous nucleation. Black carbon aerosols have a small (0.06 Wm(exp-2) and not statistically significant AIE when included as ice nuclei, for nucleation efficiencies within the range of laboratory measurements. Indirect effects of anthropogenic aerosols on cirrus clouds occur as a consequence of increasing anthropogenic sulfur emissions with different mechanisms important in different models. In one model this is due to increases in homogeneous nucleation fraction, and in the other due to increases in heterogeneous nucleation with coated dust. The magnitude of the effect is the same however. The resulting ice AIE does not seem strongly dependent on the balance between homogeneous and heterogeneous ice nucleation. Regional effects can reach several Wm2. Indirect effects are slightly larger for those states with less homogeneous nucleation and lower ice number concentration in the base state. The total ice AIE is estimated at 0.27 +/- 0.10 Wm(exp-2) (1 sigma uncertainty). This represents a 20% offset of the simulated total shortwave AIE for ice and liquid clouds of 1.6 Wm(sup-2).

  4. The use of bulk states to accelerate the band edge state calculation of a semiconductor quantum dot

    International Nuclear Information System (INIS)

    Voemel, Christof; Tomov, Stanimire Z.; Wang, Lin-Wang; Marques, Osni A.; Dongarra, Jack J.

    2007-01-01

    We present a new technique to accelerate the convergence of the folded spectrum method in empirical pseudopotential band edge state calculations for colloidal quantum dots. We use bulk band states of the materials constituent of the quantum dot to construct initial vectors and a preconditioner. We apply these to accelerate the convergence of the folded spectrum method for the interior states at the top of the valence and the bottom of the conduction band. For large CdSe quantum dots, the number of iteration steps until convergence decreases by about a factor of 4 compared to previous calculations

  5. Signatures of a Nonthermal Metastable State in Copropagating Quantum Hall Edge Channels

    Science.gov (United States)

    Itoh, Kosuke; Nakazawa, Ryo; Ota, Tomoaki; Hashisaka, Masayuki; Muraki, Koji; Fujisawa, Toshimasa

    2018-05-01

    A Tomonaga-Luttinger (TL) liquid is known as an integrable system, in which a nonequilibrium many-body state survives without relaxing to a thermalized state. This intriguing characteristic is tested experimentally in copropagating quantum Hall edge channels at bulk filling factor ν =2 . The unidirectional transport allows us to investigate the time evolution by measuring the spatial evolution of the electronic states. The initial state is prepared with a biased quantum point contact, and its spatial evolution is measured with a quantum-dot energy spectrometer. We find strong evidence for a nonthermal metastable state in agreement with the TL theory before the system relaxes to thermal equilibrium with coupling to the environment.

  6. Tunable hybridization of Majorana bound states at the quantum spin Hall edge

    Science.gov (United States)

    Keidel, Felix; Burset, Pablo; Trauzettel, Björn

    2018-02-01

    Confinement at the helical edge of a topological insulator is possible in the presence of proximity-induced magnetic (F) or superconducting (S) order. The interplay of both phenomena leads to the formation of localized Majorana bound states (MBS) or likewise (under certain resonance conditions) the formation of ordinary Andreev bound states (ABS). We investigate the properties of bound states in junctions composed of alternating regions of F or S barriers. Interestingly, the direction of magnetization in F regions and the relative superconducting phase between S regions can be exploited to hybridize MBS or ABS at will. We show that the local properties of MBS translate into a particular nonlocal superconducting pairing amplitude. Remarkably, the symmetry of the pairing amplitude contains information about the nature of the bound state that it stems from. Hence this symmetry can in principle be used to distinguish MBS from ABS, owing to the strong connection between local density of states and nonlocal pairing in our setup.

  7. Metadynamics studies of crystal nucleation

    Science.gov (United States)

    Giberti, Federico; Salvalaglio, Matteo; Parrinello, Michele

    2015-01-01

    Crystallization processes are characterized by activated events and long timescales. These characteristics prevent standard molecular dynamics techniques from being efficiently used for the direct investigation of processes such as nucleation. This short review provides an overview on the use of metadynamics, a state-of-the-art enhanced sampling technique, for the simulation of phase transitions involving the production of a crystalline solid. In particular the principles of metadynamics are outlined, several order parameters are described that have been or could be used in conjunction with metadynamics to sample nucleation events and then an overview is given of recent metadynamics results in the field of crystal nucleation. PMID:25866662

  8. Metadynamics studies of crystal nucleation

    Directory of Open Access Journals (Sweden)

    Federico Giberti

    2015-03-01

    Full Text Available Crystallization processes are characterized by activated events and long timescales. These characteristics prevent standard molecular dynamics techniques from being efficiently used for the direct investigation of processes such as nucleation. This short review provides an overview on the use of metadynamics, a state-of-the-art enhanced sampling technique, for the simulation of phase transitions involving the production of a crystalline solid. In particular the principles of metadynamics are outlined, several order parameters are described that have been or could be used in conjunction with metadynamics to sample nucleation events and then an overview is given of recent metadynamics results in the field of crystal nucleation.

  9. Fractionalizing Majorana Fermions: Non-Abelian Statistics on the Edges of Abelian Quantum Hall States

    Directory of Open Access Journals (Sweden)

    Netanel H. Lindner

    2012-10-01

    Full Text Available We study the non-Abelian statistics characterizing systems where counterpropagating gapless modes on the edges of fractional quantum Hall states are gapped by proximity coupling to superconductors and ferromagnets. The most transparent example is that of a fractional quantum spin Hall state, in which electrons of one spin direction occupy a fractional quantum Hall state of ν=1/m, while electrons of the opposite spin occupy a similar state with ν=-1/m. However, we also propose other examples of such systems, which are easier to realize experimentally. We find that each interface between a region on the edge coupled to a superconductor and a region coupled to a ferromagnet corresponds to a non-Abelian anyon of quantum dimension sqrt[2m]. We calculate the unitary transformations that are associated with the braiding of these anyons, and we show that they are able to realize a richer set of non-Abelian representations of the braid group than the set realized by non-Abelian anyons based on Majorana fermions. We carry out this calculation both explicitly and by applying general considerations. Finally, we show that topological manipulations with these anyons cannot realize universal quantum computation.

  10. Uncovering edge states and electrical inhomogeneity in MoS2 field-effect transistors.

    Science.gov (United States)

    Wu, Di; Li, Xiao; Luan, Lan; Wu, Xiaoyu; Li, Wei; Yogeesh, Maruthi N; Ghosh, Rudresh; Chu, Zhaodong; Akinwande, Deji; Niu, Qian; Lai, Keji

    2016-08-02

    The understanding of various types of disorders in atomically thin transition metal dichalcogenides (TMDs), including dangling bonds at the edges, chalcogen deficiencies in the bulk, and charges in the substrate, is of fundamental importance for TMD applications in electronics and photonics. Because of the imperfections, electrons moving on these 2D crystals experience a spatially nonuniform Coulomb environment, whose effect on the charge transport has not been microscopically studied. Here, we report the mesoscopic conductance mapping in monolayer and few-layer MoS2 field-effect transistors by microwave impedance microscopy (MIM). The spatial evolution of the insulator-to-metal transition is clearly resolved. Interestingly, as the transistors are gradually turned on, electrical conduction emerges initially at the edges before appearing in the bulk of MoS2 flakes, which can be explained by our first-principles calculations. The results unambiguously confirm that the contribution of edge states to the channel conductance is significant under the threshold voltage but negligible once the bulk of the TMD device becomes conductive. Strong conductance inhomogeneity, which is associated with the fluctuations of disorder potential in the 2D sheets, is also observed in the MIM images, providing a guideline for future improvement of the device performance.

  11. Computer simulation of chemical nucleation

    International Nuclear Information System (INIS)

    Turner, J.S.

    1979-01-01

    The problem of nucleation at chemical instabilities is investigated by means of microscopic computer simulation. The first-order transition of interest involves a new kind of nucleation arising from chemical transformations rather than physical forces. Here it is the chemical state of matter, and not matter itself, which is spatially localized to form the nucleus for transition between different chemical states. First, the concepts of chemical instability, nonequilibrium phase transition, and dissipative structure are reviewed briefly. Then recently developed methods of reactive molecular dynamics are used to study chemical nucleation in a simple model chemical reactions. Finally, the connection of these studies to nucleation and condensation processes involving physical and chemical interactions is explored. (orig.)

  12. Topological valley-chiral edge states of Lamb waves in elastic thin plates

    Science.gov (United States)

    Wang, Jian; Mei, Jun

    2018-05-01

    We investigate the nontrivial topology of the band structure of Lamb waves in a thin phononic crystal plate. When inversion symmetry is broken, a valley pseudospin degree of freedom is formed around K and K‧ valleys for the A0 Lamb mode, which is decoupled from the S0 and SH0 modes in the low-frequency regime. Chiral edge states are explicitly demonstrated, which are immune to defects and exhibit unidirectional transport behaviors when intervalley scattering is weak. The quantum valley Hall effect is thus simulated in a simple way in the context of Lamb waves.

  13. Evidence for Topological Edge States in a Large Energy Gap near the Step Edges on the Surface of ZrTe_{5}

    Directory of Open Access Journals (Sweden)

    R. Wu

    2016-05-01

    Full Text Available Two-dimensional topological insulators with a large bulk band gap are promising for experimental studies of quantum spin Hall effect and for spintronic device applications. Despite considerable theoretical efforts in predicting large-gap two-dimensional topological insulator candidates, none of them have been experimentally demonstrated to have a full gap, which is crucial for quantum spin Hall effect. Here, by combining scanning tunneling microscopy/spectroscopy and angle-resolved photoemission spectroscopy, we reveal that ZrTe_{5} crystal hosts a large full gap of ∼100  meV on the surface and a nearly constant density of states within the entire gap at the monolayer step edge. These features are well reproduced by our first-principles calculations, which point to the topologically nontrivial nature of the edge states.

  14. Interplay between snake and quantum edge states in a graphene Hall bar with a pn-junction

    Energy Technology Data Exchange (ETDEWEB)

    Milovanović, S. P., E-mail: slavisa.milovanovic@uantwerpen.be; Peeters, F. M., E-mail: francois.peeters@uantwerpen.be [Departement Fysica, Universiteit Antwerpen, Groenenborgerlaan 171, B-2020 Antwerpen (Belgium); Ramezani Masir, M., E-mail: mrmphys@gmail.com [Departement Fysica, Universiteit Antwerpen, Groenenborgerlaan 171, B-2020 Antwerpen (Belgium); Department of Physics, University of Texas at Austin, 2515 Speedway, C1600 Austin, Texas 78712-1192 (United States)

    2014-09-22

    The magneto- and Hall resistance of a locally gated cross shaped graphene Hall bar is calculated. The edge of the top gate is placed diagonally across the center of the Hall cross. Four-probe resistance is calculated using the Landauer-Büttiker formalism, while the transmission coefficients are obtained using the non-equilibrium Green's function approach. The interplay between transport due to edge channels and snake states is investigated. When two edge channels are occupied, we predict oscillations in the Hall and the bend resistance as function of the magnetic field, which are a consequence of quantum interference between the occupied snake states.

  15. Edge states in the climate system: exploring global instabilities and critical transitions

    Science.gov (United States)

    Lucarini, Valerio; Bódai, Tamás

    2017-07-01

    Multistability is a ubiquitous feature in systems of geophysical relevance and provides key challenges for our ability to predict a system’s response to perturbations. Near critical transitions small causes can lead to large effects and—for all practical purposes—irreversible changes in the properties of the system. As is well known, the Earth climate is multistable: present astronomical and astrophysical conditions support two stable regimes, the warm climate we live in, and a snowball climate characterized by global glaciation. We first provide an overview of methods and ideas relevant for studying the climate response to forcings and focus on the properties of critical transitions in the context of both stochastic and deterministic dynamics, and assess strengths and weaknesses of simplified approaches to the problem. Following an idea developed by Eckhardt and collaborators for the investigation of multistable turbulent fluid dynamical systems, we study the global instability giving rise to the snowball/warm multistability in the climate system by identifying the climatic edge state, a saddle embedded in the boundary between the two basins of attraction of the stable climates. The edge state attracts initial conditions belonging to such a boundary and, while being defined by the deterministic dynamics, is the gate facilitating noise-induced transitions between competing attractors. We use a simplified yet Earth-like intermediate complexity climate model constructed by coupling a primitive equations model of the atmosphere with a simple diffusive ocean. We refer to the climatic edge states as Melancholia states and provide an extensive analysis of their features. We study their dynamics, their symmetry properties, and we follow a complex set of bifurcations. We find situations where the Melancholia state has chaotic dynamics. In these cases, we have that the basin boundary between the two basins of attraction is a strange geometric set with a nearly zero

  16. Towards room temperature solid state quantum devices at the edge of quantum chaos for long-living quantum states

    International Nuclear Information System (INIS)

    Prati, Enrico

    2015-01-01

    Long living coherent quantum states have been observed in biological systems up to room temperature. Light harvesting in chromophoresis realized by excitonic systems living at the edge of quantum chaos, where energy level distribution becomes semi-Poissonian. On the other hand, artificial materials suffer the loss of coherence of quantum states in quantum information processing, but semiconductor materials are known to exhibit quantum chaotic conditions, so the exploitation of similar conditions are to be considered. The advancements of nanofabrication, together with the control of implantation of individual atoms at nanometric precision, may open the experimental study of such special regime at the edge of the phase transitions for the electronic systems obtained by implanting impurity atoms in a silicon transistor. Here I review the recent advancements made in the field of theoretical description of the light harvesting in biological system in its connection with phase transitions at the few atoms scale and how it would be possible to achieve transition point to quantum chaotic regime. Such mechanism may thus preserve quantum coherent states at room temperature in solid state devices, to be exploited for quantum information processing as well as dissipation-free quantum electronics. (paper)

  17. Mechanisms of nucleation in flashing flows

    International Nuclear Information System (INIS)

    Yan, F.; Giot, M.

    1989-01-01

    The mechanisms of nucleation have been analysed. Starting from the assumption that the activation of micro-cavities in the wall surfaces is the most probable nucleation mechanism in practical flashing system, the authors study in detail the nucleation in a micro-cavity. A three step nucleation criterion is proposed, namely: trapping cavity, activable cavity and active cavity. Then, a new nucleation model is presented. The output of the model is the prediction of the bubble departure frequency versus the thermodynamic state of the liquid and the geometry of the cavity. The model can also predict the nucleation site density if the nature of the wall and the surface roughness are know. The prediction have been successfully compared with some preliminary experimental results. By combining the present model with Jones'theory, the flashing inception is correctly predicted. The use of this nucleation model for the complete modelling of a flashing non-equilibrium flow is in progress

  18. Unidirectional edge states in topological honeycomb-lattice membrane photonic crystals.

    Science.gov (United States)

    Anderson, P Duke; Subramania, Ganapathi

    2017-09-18

    Photonic analogs of electronic systems with topologically non-trivial behavior such as unidirectional scatter-free propagation has tremendous potential for transforming photonic systems. Like in electronics topological behavior can be observed in photonics for systems either preserving time-reversal (TR) symmetry or explicitly breaking it. TR symmetry breaking requires magneto-optic photonics crystals (PC) or generation of synthetic gauge fields. For on-chip photonics that operate at optical frequencies both are quite challenging because of poor magneto-optic response of materials or substantial nanofabrication challenges in generating synthetic gauge fields. A recent work by Ma, et al. [Phys. Rev. Lett.114, 223901 (2015)] based on preserving pseudo TR symmetry offers a promising design scheme for observing unidirectional edge states in a modified honeycomb photonic crystal (PC) lattice of circular rods that offers encouraging alternatives. Here we propose through bandstructure calculations the inverse system of modified honeycomb PC of circular holes in a dielectric membrane which is more attractive from fabrication standpoint for on-chip applications. We observe trivial and non-trivial bandgaps as well as unidirectional edge states of opposite helicity propagating in opposite directions at the interface of a trivial and non-trivial PC structures. Around 1550nm operating wavelength ~55nm of bandwidth is possible for practicable values of design parameters (lattice constant, hole radii, membrane thickness, scaling factor etc.) and robust to reasonable variations in those parameters.

  19. Topological Edge-State Manifestation of Interacting 2D Condensed Boson-Lattice Systems in a Harmonic Trap.

    Science.gov (United States)

    Galilo, Bogdan; Lee, Derek K K; Barnett, Ryan

    2017-11-17

    In this Letter, it is shown that interactions can facilitate the emergence of topological edge states of quantum-degenerate bosonic systems in the presence of a harmonic potential. This effect is demonstrated with the concrete model of a hexagonal lattice populated by spin-one bosons under a synthetic gauge field. In fermionic or noninteracting systems, the presence of a harmonic trap can obscure the observation of edge states. For our system with weakly interacting bosons in the Thomas-Fermi regime, we can clearly see a topological band structure with a band gap traversed by edge states. We also find that the number of edge states crossing the gap is increased in the presence of a harmonic trap, and the edge modes experience an energy shift while traversing the first Brillouin zone which is related to the topological properties of the system. We find an analytical expression for the edge-state energies and our comparison with numerical computation shows excellent agreement.

  20. Topological Edge-State Manifestation of Interacting 2D Condensed Boson-Lattice Systems in a Harmonic Trap

    Science.gov (United States)

    Galilo, Bogdan; Lee, Derek K. K.; Barnett, Ryan

    2017-11-01

    In this Letter, it is shown that interactions can facilitate the emergence of topological edge states of quantum-degenerate bosonic systems in the presence of a harmonic potential. This effect is demonstrated with the concrete model of a hexagonal lattice populated by spin-one bosons under a synthetic gauge field. In fermionic or noninteracting systems, the presence of a harmonic trap can obscure the observation of edge states. For our system with weakly interacting bosons in the Thomas-Fermi regime, we can clearly see a topological band structure with a band gap traversed by edge states. We also find that the number of edge states crossing the gap is increased in the presence of a harmonic trap, and the edge modes experience an energy shift while traversing the first Brillouin zone which is related to the topological properties of the system. We find an analytical expression for the edge-state energies and our comparison with numerical computation shows excellent agreement.

  1. Dynamics of homogeneous nucleation

    DEFF Research Database (Denmark)

    Toxværd, Søren

    2015-01-01

    The classical nucleation theory for homogeneous nucleation is formulated as a theory for a density fluctuation in a supersaturated gas at a given temperature. But molecular dynamics simulations reveal that it is small cold clusters which initiates the nucleation. The temperature in the nucleating...

  2. Structure of edge-state inner products in the fractional quantum Hall effect

    Science.gov (United States)

    Fern, R.; Bondesan, R.; Simon, S. H.

    2018-04-01

    We analyze the inner products of edge state wave functions in the fractional quantum Hall effect, specifically for the Laughlin and Moore-Read states. We use an effective description for these inner products given by a large-N expansion ansatz proposed in a recent work by J. Dubail, N. Read, and E. Rezayi [Phys. Rev. B 86, 245310 (2012), 10.1103/PhysRevB.86.245310]. As noted by these authors, the terms in this ansatz can be constrained using symmetry, a procedure we perform to high orders. We then check this conjecture by calculating the overlaps exactly for small system sizes and compare the numerics with our high-order expansion. We find the effective description to be very accurate.

  3. Effect of annealing ambient on anisotropic retraction of film edges during solid-state dewetting of thin single crystal films

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Gye Hyun; Thompson, Carl V., E-mail: cthomp@mit.edu [Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 01239 (United States); Ma, Wen [Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 01239 (United States); Yildiz, Bilge [Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 01239 (United States); Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 01239 (United States)

    2016-08-21

    During solid-state dewetting of thin single crystal films, film edges retract at a rate that is strongly dependent on their crystallographic orientations. Edges with kinetically stable in-plane orientations remain straight as they retract, while those with other in-plane orientations develop in-plane facets as they retract. Kinetically stable edges have retraction rates that are lower than edges with other orientations and thus determine the shape of the natural holes that form during solid-state dewetting. In this paper, measurements of the retraction rates of kinetically stable edges for single crystal (110) and (100) Ni films on MgO are presented. Relative retraction rates of kinetically stable edges with different crystallographic orientations are observed to change under different annealing conditions, and this accordingly changes the initial shapes of growing holes. The surfaces of (110) and (100) films were also characterized using low energy electron diffraction, and different surface reconstructions were observed under different ambient conditions. The observed surface structures were found to correlate with the observed changes in the relative retraction rates of the kinetically stable edges.

  4. Role of helical edge modes in the chiral quantum anomalous Hall state.

    Science.gov (United States)

    Mani, Arjun; Benjamin, Colin

    2018-01-22

    Although indications are that a single chiral quantum anomalous Hall(QAH) edge mode might have been experimentally detected. There have been very many recent experiments which conjecture that a chiral QAH edge mode always materializes along with a pair of quasi-helical quantum spin Hall (QSH) edge modes. In this work we deal with a substantial 'What If?' question- in case the QSH edge modes, from which these QAH edge modes evolve, are not topologically-protected then the QAH edge modes wont be topologically-protected too and thus unfit for use in any applications. Further, as a corollary one can also ask if the topological-protection of QSH edge modes does not carry over during the evolution process to QAH edge modes then again our 'What if?' scenario becomes apparent. The 'how' of the resolution of this 'What if?' conundrum is the main objective of our work. We show in similar set-ups affected by disorder and inelastic scattering, transport via trivial QAH edge mode leads to quantization of Hall resistance and not that via topological QAH edge modes. This perhaps begs a substantial reinterpretation of those experiments which purported to find signatures of chiral(topological) QAH edge modes albeit in conjunction with quasi helical QSH edge modes.

  5. Role of band states and trap states in the electrical properties of organic semiconductors: Hopping versus mobility edge model

    KAUST Repository

    Mehraeen, Shafigh

    2013-05-01

    We compare the merits of a hopping model and a mobility edge model in the description of the effect of charge-carrier concentration on the electrical conductivity, carrier mobility, and Fermi energy of organic semiconductors. We consider the case of a composite electronic density of states (DOS) that consists of a superposition of a Gaussian DOS and an exponential DOS. Using kinetic Monte Carlo simulations, we apply the two models in order to interpret the recent experimental data reported for n-doped C60 films. While both models are capable of reproducing the experimental data very well and yield qualitatively similar characteristic parameters for the density of states, some discrepancies are found at the quantitative level. © 2013 American Physical Society.

  6. Edge Singularities and Quasilong-Range Order in Nonequilibrium Steady States

    Science.gov (United States)

    De Nardis, Jacopo; Panfil, Miłosz

    2018-05-01

    The singularities of the dynamical response function are one of the most remarkable effects in many-body interacting systems. However in one dimension these divergences only exist strictly at zero temperature, making their observation very difficult in most cold atomic experimental settings. Moreover the presence of a finite temperature destroys another feature of one-dimensional quantum liquids: the real space quasilong-range order in which the spatial correlation functions exhibit power-law decay. We consider a nonequilibrium protocol where two interacting Bose gases are prepared either at different temperatures or chemical potentials and then joined. We show that the nonequilibrium steady state emerging at large times around the junction displays edge singularities in the response function and quasilong-range order.

  7. Nucleate pool boiling, film boiling and single-phase free convection at pressures up to the critical state. Part I: Integral heat transfer for horizontal copper cylinders

    Energy Technology Data Exchange (ETDEWEB)

    Gorenflo, Dieter; Baumhoegger, Elmar; Windmann, Thorsten; Herres, Gerhard [Institut fuer Energie- und Verfahrenstechnik, Universitaet Paderborn, Warburger Str. 100, D-33098 Paderborn (Germany)

    2010-11-15

    Transcritical working cycles for refrigerants have led to increased interest in heat transfer near the Critical State. In general, experimental results for this region differ significantly from those far from it because some fluid properties vary much more there than at a greater distance. In this paper, measurements for two-phase and single-phase free convective heat transfer from an electrically heated copper tube with 25 mm O.D. to refrigerant R125 are discussed for fluid states very close to the Critical Point and far from it. It is shown that heat transfer for film boiling slightly below and for free convection slightly above the critical pressure is very similar. The new - and also previous - experimental data for nucleate boiling, film boiling, and single-phase free convection are compared with calculated results between atmospheric and critical pressure. It can be concluded that the Principle of Corresponding States in its simplest form is very well suited to transfer the results to other refrigerants. In Part II, particular attention will be given to a minimum superheat for nucleate boiling and a maximum superheat for film boiling and single-phase free convection within the circumferential variation of the isobaric wall superheat on the lower parts of the tube. (author)

  8. How the Emitted Size Distribution and Mixing State of Feldspar Affect Ice Nucleating Particles in a Global Model

    Science.gov (United States)

    Perlwitz, J. P.; Fridlind, A. M.; Knopf, D. A.; Miller, R. L.; Pérez García-Pando, C.

    2017-12-01

    The effect of aerosol particles on ice nucleation and, in turn, the formation of ice and mixed phase clouds is recognized as one of the largest sources of uncertainty in climate prediction. We apply an improved dust mineral specific aerosol module in the NASA GISS Earth System ModelE, which takes into account soil aggregates and their fragmentation at emission as well as the emission of large particles. We calculate ice nucleating particle concentrations from K-feldspar abundance for an active site parameterization for a range of activation temperatures and external and internal mixing assumption. We find that the globally averaged INP concentration is reduced by a factor of two to three, compared to a simple assumption on the size distribution of emitted dust minerals. The decrease can amount to a factor of five in some geographical regions. The results vary little between external and internal mixing and different activation temperatures, except for the coldest temperatures. In the sectional size distribution, the size range 2-4 μm contributes the largest INP number.

  9. How the Emitted Size Distribution and Mixing State of Feldspar Affect Ice Nucleating Particles in a Global Model

    Science.gov (United States)

    Perlwitz, Jan P.; Fridlind, Ann M.; Knopf, Daniel A.; Miller, Ron L.; García-Pando, Carlos Perez

    2017-01-01

    The effect of aerosol particles on ice nucleation and, in turn, the formation of ice and mixed phase clouds is recognized as one of the largest sources of uncertainty in climate prediction. We apply an improved dust mineral specific aerosol module in the NASA GISS Earth System ModelE, which takes into account soil aggregates and their fragmentation at emission as well as the emission of large particles. We calculate ice nucleating particle concentrations from K-feldspar abundance for an active site parameterization for a range of activation temperatures and external and internal mixing assumption. We find that the globally averaged INP concentration is reduced by a factor of two to three, compared to a simple assumption on the size distribution of emitted dust minerals. The decrease can amount to a factor of five in some geographical regions. The results vary little between external and internal mixing and different activation temperatures, except for the coldest temperatures. In the sectional size distribution, the size range 24 micrometer contributes the largest INP number.

  10. Direct imaging of band profile in single layer MoS2 on graphite: quasiparticle energy gap, metallic edge states, and edge band bending.

    Science.gov (United States)

    Zhang, Chendong; Johnson, Amber; Hsu, Chang-Lung; Li, Lain-Jong; Shih, Chih-Kang

    2014-05-14

    Using scanning tunneling microscopy and spectroscopy, we probe the electronic structures of single layer MoS2 on graphite. The apparent quasiparticle energy gap of single layer MoS2 is measured to be 2.15 ± 0.06 eV at 77 K, albeit a higher second conduction band threshold at 0.2 eV above the apparent conduction band minimum is also observed. Combining it with photoluminescence studies, we deduce an exciton binding energy of 0.22 ± 0.1 eV (or 0.42 eV if the second threshold is use), a value that is lower than current theoretical predictions. Consistent with theoretical predictions, we directly observe metallic edge states of single layer MoS2. In the bulk region of MoS2, the Fermi level is located at 1.8 eV above the valence band maximum, possibly due to the formation of a graphite/MoS2 heterojunction. At the edge, however, we observe an upward band bending of 0.6 eV within a short depletion length of about 5 nm, analogous to the phenomena of Fermi level pinning of a 3D semiconductor by metallic surface states.

  11. Influence of an oscillator bath on the nucleation rate

    International Nuclear Information System (INIS)

    Amritkar, R.E.

    1984-09-01

    The nucleation rate of a system in a metastable state coupled to an oscillator bath is considered. It is shown that for a weak coupling and small oscillator frequencies the nucleation rate increases. (author)

  12. Charge transfer of edge states in zigzag silicene nanoribbons with Stone–Wales defects from first-principles

    Energy Technology Data Exchange (ETDEWEB)

    Ting, Xie [College of Mathematics and Statistics, Chongqing University, Chongqing 401331 (China); School of Mathematics and Statistic, Chongqing University of Technology, Chongqing 400054 (China); Rui, Wang, E-mail: rcwang@cqu.edu.cn [Institute for Structure and Function and Department of Physics, Chongqing University, Chongqing 400044 (China); State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Science, Beijing 100190 (China); Shaofeng, Wang [Institute for Structure and Function and Department of Physics, Chongqing University, Chongqing 400044 (China); Xiaozhi, Wu, E-mail: xiaozhiwu@cqu.edu.cn [Institute for Structure and Function and Department of Physics, Chongqing University, Chongqing 400044 (China)

    2016-10-15

    Highlights: • The properties of SW defects in silicene and ZSNRs are obtained. • The SW defects at the edge of ZSNRs induce a sizable gap. • The charge transfer of edge states is resulted from SW defects in ZSNRS. - Abstract: Stone–Wales (SW) defects are favorably existed in graphene-like materials with honeycomb lattice structure and potentially employed to change the electronic properties in band engineering. In this paper, we investigate structural and electronic properties of SW defects in silicene sheet and its nanoribbons as a function of their concentration using the methods of periodic boundary conditions with first-principles calculations. We first calculate the formation energy, structural properties, and electronic band structures of SW defects in silicene sheet, with dependence on the concentration of SW defects. Our results show a good agreement with available values from the previous first-principles calculations. The energetics, structural aspects, and electronic properties of SW defects with dependence on defect concentration and location in edge-hydrogenated zigzag silicene nanoribbons are obtained. For all calculated concentrations, the SW defects prefer to locate at the edge due to the lower formation energy. The SW defects at the center of silicene nanoribbons slightly influence on the electronic properties, whereas the SW defects at the edge of silicene nanoribbons split the degenerate edge states and induce a sizable gap, which depends on the concentration of defects. It is worth to find that the SW defects produce a perturbation repulsive potential, which leads the decomposed charge of edge states at the side with defect to transfer to the other side without defect.

  13. Imaging the Conductance of Integer and Fractional Quantum Hall Edge States

    Directory of Open Access Journals (Sweden)

    Nikola Pascher

    2014-01-01

    Full Text Available We measure the conductance of a quantum point contact while the biased tip of a scanning probe microscope induces a depleted region in the electron gas underneath. At a finite magnetic field, we find plateaus in the real-space maps of the conductance as a function of tip position at integer (ν=1, 2, 3, 4, 6, 8 and fractional (ν=1/3, 2/3, 5/3, 4/5 values of transmission. They resemble theoretically predicted compressible and incompressible stripes of quantum Hall edge states. The scanning tip allows us to shift the constriction limiting the conductance in real space over distances of many microns. The resulting stripes of integer and fractional filling factors are rugged on scales of a few hundred nanometers, i.e., on a scale much smaller than the zero-field elastic mean free path of the electrons. Our experiments demonstrate that microscopic inhomogeneities are relevant even in high-quality samples and lead to locally strongly fluctuating widths of incompressible regions even down to their complete suppression for certain tip positions. The macroscopic quantization of the Hall resistance measured experimentally in a nonlocal contact configuration survives in the presence of these inhomogeneities, and the relevant local energy scale for the ν=2 state turns out to be independent of tip position.

  14. A short course on topological insulators band structure and edge states in one and two dimensions

    CERN Document Server

    Asbóth, János K; Pályi, András

    2016-01-01

    This course-based primer provides newcomers to the field with a concise introduction to some of the core topics in the emerging field of topological insulators. The aim is to provide a basic understanding of edge states, bulk topological invariants, and of the bulk--boundary correspondence with as simple mathematical tools as possible. The present approach uses noninteracting lattice models of topological insulators, building gradually on these to arrive from the simplest one-dimensional case (the Su-Schrieffer-Heeger model for polyacetylene) to two-dimensional time-reversal invariant topological insulators (the Bernevig-Hughes-Zhang model for HgTe). In each case the discussion of simple toy models is followed by the formulation of the general arguments regarding topological insulators. The only prerequisite for the reader is a working knowledge in quantum mechanics, the relevant solid state physics background is provided as part of this self-contained text, which is complemented by end-of-chapter problems.

  15. Nucleation in ZBLAN glasses

    NARCIS (Netherlands)

    de Leede, G.L.A.; Waal, de H.

    1989-01-01

    Nucleation rates were detd. in a ZrF4-BaF2-NaF-LaF3-AlF3 glass (ZBLAN) using an optical method. The results were compared with a similar glass having a slightly different compn. The difference in the nucleation rate is explained by classical nucleation theory using calcd. free-energy differences

  16. Even–odd effect on the edge states for zigzag phosphorene nanoribbons under a perpendicular electric field

    International Nuclear Information System (INIS)

    Zhou, Benliang; Zhou, Guanghui; Zhou, Benhu; Zhou, Xiaoying

    2017-01-01

    We study the variation of electronic property for zigzag-edge phosphorene nanoribbons (ZPNRs) under a perpendicular electric field (PEF). Using the tight-binding Hamiltonian combined with the surface lattice Green’s function (GF) approach, we show that the response of edge states to PEF for a N -ZPNR with even- or odd- N (number of zigzag chains) is qualitatively different. The field opens a gap between two edge bands near the Fermi energy for even- N ribbons, but for odd- N ones where the two edge bands are always nearly degenerated. This difference is originally from that the Stark-effect-induced energies at the upper and lower edges for even- and odd- N ZPNRs are different due to the peculiar lattice structure of phosphorene. In consequence, the electronic densities are more localized at the edges driven by the field for even- N ZPNRs but not for odd- N ones. This even–odd effect is also reflected in conductance, which indicates that the odd- N ZPNRs may be more suitable for the usage of field-effect transistor. (paper)

  17. Nucleation and cavitation in parahydrogen

    International Nuclear Information System (INIS)

    Pi, Martí; Barranco, Manuel; Navarro, Jesús; Ancilotto, Francesco

    2012-01-01

    Highlights: ► We have constructed a density functional (DF) for parahydrogen between 14 and 32 K. ► The experimental equation of state and the surface tension are well reproduced. ► We have investigated nucleation and cavitations processes in the metastable phase. ► We have obtained the electron bubble explosion within the capillary model. - Abstract: We have used a density functional approach to investigate thermal homogeneous nucleation and cavitation in parahydrogen. The effect of electrons as seeds of heterogeneous cavitation in liquid parahydrogen is also discussed within the capillary model.

  18. Nucleation in the atmosphere

    International Nuclear Information System (INIS)

    Hegg, D A; Baker, M B

    2009-01-01

    Small particles play major roles in modulating radiative and hydrological fluxes in the atmosphere and thus they impact both climate (IPCC 2007) and weather. Most atmospheric particles outside clouds are created in situ through nucleation from gas phase precursors and most ice particles within clouds are formed by nucleation, usually from the liquid. Thus, the nucleation process is of great significance in the Earth's atmosphere. The theoretical examination of nucleation in the atmosphere has been based mostly on classical nucleation theory. While diagnostically very useful, the prognostic skill demonstrated by this approach has been marginal. Microscopic approaches such as molecular dynamics and density functional theory have also proven useful in elucidating various aspects of the process but are not yet sufficiently refined to offer a significant prognostic advantage to the classical approach, due primarily to the heteromolecular nature of atmospheric nucleation. An important aspect of the nucleation process in the atmosphere is that the degree of metastability of the parent phase for the nucleation is modulated by a number of atmospheric processes such as condensation onto pre-existing particles, updraft velocities that are the main driving force for supersaturation of water (a major factor in all atmospheric nucleation), and photochemical production rates of nucleation precursors. Hence, atmospheric nucleation is both temporally and spatially inhomogeneous

  19. Edge states and conformal boundary conditions in super spin chains and super sigma models

    International Nuclear Information System (INIS)

    Bondesan, Roberto; Jacobsen, Jesper L.; Saleur, Hubert

    2011-01-01

    The sigma models on projective superspaces CP N+M-1|N with topological angle θ=πmod2π flow to non-unitary, logarithmic conformal field theories in the low-energy limit. In this paper, we determine the exact spectrum of these theories for all open boundary conditions preserving the full global symmetry of the model, generalizing recent work on the particular case M=0 [C. Candu et al., JHEP 1002 (2010) 015]. In the sigma model setting, these boundary conditions are associated with complex line bundles, and are labelled by an integer, related with the exact value of θ. Our approach relies on a spin chain regularization, where the boundary conditions now correspond to the introduction of additional edge states. The exact values of the exponents then follow from a lengthy algebraic analysis, a reformulation of the spin chain in terms of crossing and non-crossing loops (represented as a certain subalgebra of the Brauer algebra), and earlier results on the so-called one- and two-boundary Temperley-Lieb algebras (also known as blob algebras). A remarkable result is that the exponents, in general, turn out to be irrational. The case M=1 has direct applications to the spin quantum Hall effect, which will be discussed in a sequel.

  20. Edge states and conformal boundary conditions in super spin chains and super sigma models

    Energy Technology Data Exchange (ETDEWEB)

    Bondesan, Roberto, E-mail: roberto.bondesan@cea.f [LPTENS, Ecole Normale Superieure, 24 rue Lhomond, 75231 Paris (France); Institute de Physique Theorique, CEA Saclay, F-91191 Gif-sur-Yvette (France); Jacobsen, Jesper L. [LPTENS, Ecole Normale Superieure, 24 rue Lhomond, 75231 Paris (France); Universite Pierre et Marie Curie, 4 place Jussieu, 75252 Paris (France); Saleur, Hubert [Institute de Physique Theorique, CEA Saclay, F-91191 Gif-sur-Yvette (France); Physics Department, USC, Los Angeles, CA 90089-0484 (United States)

    2011-08-11

    The sigma models on projective superspaces CP{sup N+M-1{vert_bar}N} with topological angle {theta}={pi}mod2{pi} flow to non-unitary, logarithmic conformal field theories in the low-energy limit. In this paper, we determine the exact spectrum of these theories for all open boundary conditions preserving the full global symmetry of the model, generalizing recent work on the particular case M=0 [C. Candu et al., JHEP 1002 (2010) 015]. In the sigma model setting, these boundary conditions are associated with complex line bundles, and are labelled by an integer, related with the exact value of {theta}. Our approach relies on a spin chain regularization, where the boundary conditions now correspond to the introduction of additional edge states. The exact values of the exponents then follow from a lengthy algebraic analysis, a reformulation of the spin chain in terms of crossing and non-crossing loops (represented as a certain subalgebra of the Brauer algebra), and earlier results on the so-called one- and two-boundary Temperley-Lieb algebras (also known as blob algebras). A remarkable result is that the exponents, in general, turn out to be irrational. The case M=1 has direct applications to the spin quantum Hall effect, which will be discussed in a sequel.

  1. Non-Dirac Chern insulators with large band gaps and spin-polarized edge states.

    Science.gov (United States)

    Xue, Y; Zhang, J Y; Zhao, B; Wei, X Y; Yang, Z Q

    2018-05-10

    Based on first-principles calculations and k·p models, we demonstrate that PbC/MnSe heterostructures are a non-Dirac type of Chern insulator with very large band gaps (244 meV) and exotically half-metallic edge states, providing the possibilities of realizing very robust, completely spin polarized, and dissipationless spintronic devices from the heterostructures. The achieved extraordinarily large nontrivial band gap can be ascribed to the contribution of the non-Dirac type electrons (composed of px and py) and the very strong atomic spin-orbit coupling (SOC) interaction of the heavy Pb element in the system. Surprisingly, the band structures are found to be sensitive to the different exchange and correlation functionals adopted in the first-principles calculations. Chern insulators with various mechanisms are acquired from them. These discoveries show that the predicted nontrivial topology in PbC/MnSe heterostructures is robust and can be observed in experiments at high temperatures. The system has great potential to have attractive applications in future spintronics.

  2. Power exhaust and edge control in steady state Tore Supra plasma

    International Nuclear Information System (INIS)

    Mitteau, R.

    2002-01-01

    Tore Supra is operated since 2001 with a flat limiter which is designed for 10 MW/m 2 . The limiter is located in the bottom of the vacuum vessel. It was only partial in 2001, but it is now fully toroidal without poloidal leading edges. Part of the experimental campaign of 2001 was devoted to the physical as well as technological qualification of the limiter. For 4 MW injected, the limiter extracted 2.5 MW and heat flux densities reached 2.5 MW/m 2 . It is still modest compared to the design value, but nonetheless enables a comparison to the modelling as surface temperature increased locally to 400 deg C. Thermal steady state is reached in 5-8 seconds. The values of heat flux and the deposition pattern are in very good accordance with design simulations. The heat flux pattern is a combination of parallel and perpendicular flow components which are roughly of equal magnitude. Insights on the heat flux deposition pattern as well as on the tiles behaviour are given. Operation with such a large size high heat flux component sets renewed emphasis on issues such as feed back systems, active security, cooling parameter and in situ assessment of the elements. They are dealt with in the paper. (author)

  3. Applicability of the Fokker-Planck equation to the description of diffusion effects on nucleation

    Science.gov (United States)

    Sorokin, M. V.; Dubinko, V. I.; Borodin, V. A.

    2017-01-01

    The nucleation of islands in a supersaturated solution of surface adatoms is considered taking into account the possibility of diffusion profile formation in the island vicinity. It is shown that the treatment of diffusion-controlled cluster growth in terms of the Fokker-Planck equation is justified only provided certain restrictions are satisfied. First of all, the standard requirement that diffusion profiles of adatoms quickly adjust themselves to the actual island sizes (adiabatic principle) can be realized only for sufficiently high island concentration. The adiabatic principle is essential for the probabilities of adatom attachment to and detachment from island edges to be independent of the adatom diffusion profile establishment kinetics, justifying the island nucleation treatment as the Markovian stochastic process. Second, it is shown that the commonly used definition of the "diffusion" coefficient in the Fokker-Planck equation in terms of adatom attachment and detachment rates is justified only provided the attachment and detachment are statistically independent, which is generally not the case for the diffusion-limited growth of islands. We suggest a particular way to define the attachment and detachment rates that allows us to satisfy this requirement as well. When applied to the problem of surface island nucleation, our treatment predicts the steady-state nucleation barrier, which coincides with the conventional thermodynamic expression, even though no thermodynamic equilibrium is assumed and the adatom diffusion is treated explicitly. The effect of adatom diffusional profiles on the nucleation rate preexponential factor is also discussed. Monte Carlo simulation is employed to analyze the applicability domain of the Fokker-Planck equation and the diffusion effect beyond it. It is demonstrated that a diffusional cloud is slowing down the nucleation process for a given monomer interaction with the nucleus edge.

  4. Simulations of a non-Markovian description of nucleation

    NARCIS (Netherlands)

    Kuipers, J.; Barkema, G.T.

    2010-01-01

    In most nucleation theories, the state of a nucleating system is described by a distribution of droplet masses and this distribution evolves as a memoryless stochastic process. This is incorrect for a large class of nucleating systems. In a recent paper [ J. Kuipers and G. T. Barkema, Phys. Rev. E

  5. Separately contacted edge states: A new spectroscopic tool for the investigation of the quantum Hall effect

    OpenAIRE

    Wuertz, A.; Wildfeuer, R.; Lorke, A.; Deviatov, E. V.; Dolgopolov, V. T.

    2001-01-01

    Using an innovative combination of a quasi-Corbino sample geometry and the cross-gate technique, we have developed a method that enables us to separately contact single edge channels in the quantum Hall regime and investigate equilibration among them. Performing 4-point resistance measurements, we directly obtain information on the energetic and geometric structure of the edge region and the equilibration-length for current transport across the Landau- as well as the spin-gap. Based on an alm...

  6. Cutting edge technology to enhance nursing classroom instruction at Coppin State University.

    Science.gov (United States)

    Black, Crystal Day; Watties-Daniels, A Denyce

    2006-01-01

    Educational technologies have changed the paradigm of the teacher-student relationship in nursing education. Nursing students expect to use and to learn from cutting edge technology during their academic careers. Varied technology, from specified software programs (Tegrity and Blackboard) to the use of the Internet as a research medium, can enhance student learning. The authors provide an overview of current cutting edge technologies in nursing classroom instruction and its impact on future nursing practice.

  7. New trends in the nucleation research

    Science.gov (United States)

    Anisimov, M. P.; Hopke, P. K.

    2017-09-01

    During the last half of century the most of efforts have been directed towards small molecule system modeling using intermolecular potentials. Summarizing the nucleation theory, it can be concluded that the nowadays theory is far from complete. The vapor-gas nucleation theory can produce values that deviate from the experimental results by several orders of magnitude currently. Experiments on the vapor-gas nucleation rate measurements using different devices show significant inconsistencies in the measured rates as well. Theoretical results generally are quite reasonable for sufficiently low vapor nucleation rates where the capillary approximation is applicable. In the present research the advantages and current problems of the vapor-gas nucleation experiments are discussed briefly and a view of the future studies is presented. Using the brake points of the first derivative for the nucleation rate surface as markers of the critical embryos phase change is fresh idea to show the gas-pressure effect for the nucleating vapor-gas systems. To test the accuracy of experimental techniques, it is important to have a standard system that can be measured over a range of nucleation conditions. Several results illustrate that high-pressure techniques are needed to study multi-channel nucleation. In practical applications, parametric theories can be used for the systems of interest. However, experimental measurements are still the best source of information on nucleation rates. Experiments are labor intensive and costly, and thus, it is useful to extend the value of limited experimental measurements to a broader range of nucleation conditions. Only limited experimental data one needs for use in normalizing the slopes of the linearized nucleation rate surfaces. The nucleation rate surface is described in terms of steady-state nucleation rates. It is supposed that several new measuring systems, such as High Pressure Flow Diffusion Chamber for pressure limit up to 150 bar will be

  8. Evaporation rate of nucleating clusters.

    Science.gov (United States)

    Zapadinsky, Evgeni

    2011-11-21

    The Becker-Döring kinetic scheme is the most frequently used approach to vapor liquid nucleation. In the present study it has been extended so that master equations for all cluster configurations are included into consideration. In the Becker-Döring kinetic scheme the nucleation rate is calculated through comparison of the balanced steady state and unbalanced steady state solutions of the set of kinetic equations. It is usually assumed that the balanced steady state produces equilibrium cluster distribution, and the evaporation rates are identical in the balanced and unbalanced steady state cases. In the present study we have shown that the evaporation rates are not identical in the equilibrium and unbalanced steady state cases. The evaporation rate depends on the number of clusters at the limit of the cluster definition. We have shown that the ratio of the number of n-clusters at the limit of the cluster definition to the total number of n-clusters is different in equilibrium and unbalanced steady state cases. This causes difference in evaporation rates for these cases and results in a correction factor to the nucleation rate. According to rough estimation it is 10(-1) by the order of magnitude and can be lower if carrier gas effectively equilibrates the clusters. The developed approach allows one to refine the correction factor with Monte Carlo and molecular dynamic simulations.

  9. On void nucleation

    International Nuclear Information System (INIS)

    Subbotin, A.V.

    1978-01-01

    Nucleation of viable voids in irradiated materials is considered. The mechanism of evaporation and absorption of interstitials and vacancies disregarding the possibility of void merging is laid down into the basis of the discussion. The effect of irradiated material structure on void nucleation is separated from the effect of the properties of supersaturated solutions of vacancies and interstitials. An analytical expression for the nucleation rate is obtained and analyzed in different cases. The interstitials are concluded to effect severely the nucleation rate of viable voids

  10. Dislocation reduction in nitride-based Schottky diodes by using multiple MgxNy/GaN nucleation layers

    International Nuclear Information System (INIS)

    Lee, K.H.; Chang, P.C.; Chang, S.J.; Su, Y.K.; Wang, Y.C.; Yu, C.L.; Kuo, C.H.

    2010-01-01

    We present the characteristics of nitride-based Schottky diodes with a single low-temperature (LT) GaN nucleation layer and multiple Mg x N y /GaN nucleation layers. With multiple Mg x N y /GaN nucleation layers, it was found that reverse leakage current became smaller by six orders of magnitude than that with a conventional LT GaN nucleation layer. This result might be attributed to the significant reduction of threading dislocations (TDs) and TD-related surface states. From the double crystal X-ray diffraction and photoluminescence analyses, it was found that the introduction of multiple Mg x N y /GaN nucleation layers could be able to effectively reduce the edge-type TDs. Furthermore, it was also found that effective Schottky barrier height (Φ B ) increased from 1.07 to 1.15 eV with the insertion of the multiple Mg x N y /GaN nucleation layers.

  11. Role of band states and trap states in the electrical properties of organic semiconductors: Hopping versus mobility edge model

    KAUST Repository

    Mehraeen, Shafigh; Coropceanu, Veaceslav; Bré das, Jean-Luc

    2013-01-01

    We compare the merits of a hopping model and a mobility edge model in the description of the effect of charge-carrier concentration on the electrical conductivity, carrier mobility, and Fermi energy of organic semiconductors. We consider the case

  12. Topological edge states and impurities: Manifestation in the local static and dynamical characteristics of dimerized quantum chains

    Science.gov (United States)

    Zvyagin, A. A.

    2018-04-01

    Based on the results of exact analytic calculations, we show that topological edge states and impurities in quantum dimerized chains manifest themselves in various local static and dynamical characteristics, which can be measured in experiments. In particular, topological edge states can be observed in the magnetic field behavior of the local magnetization or magnetic susceptibility of dimerized spin chains as jumps (for the magnetization) and features (for the static susceptibility) at zero field. In contrast, impurities reveal themselves in similar jumps and features, however, at nonzero values of the critical field. We also show that dynamical characteristics of dimerized quantum chains also manifest the features, related to the topological edge states and impurities. Those features, as a rule, can be seen more sharply than the manifestation of bulk extended states in, e.g., the dynamical local susceptibility. Such peculiarities can be observed in one-dimensional dimerized spin chains, e.g., in NMR experiments, or in various realizations of quantum dimerized chains in optical experiments.

  13. The effective action for edge states in higher-dimensional quantum Hall systems

    International Nuclear Information System (INIS)

    Karabali, Dimitra; Nair, V.P.

    2004-01-01

    We show that the effective action for the edge excitations of a quantum Hall droplet of fermions in higher dimensions is generically given by a chiral bosonic action. We explicitly analyze the quantum Hall effect on complex projective spaces CP k , with a U(1) background magnetic field. The edge excitations are described by Abelian bosonic fields on S 2k-1 with only one spatial direction along the boundary of the droplet relevant for the dynamics. Our analysis also leads to an action for edge excitations for the case of the Zhang-Hu four-dimensional quantum Hall effect defined on S 4 with an SU(2) background magnetic field, using the fact that CP 3 is an S 2 -bundle over S 4

  14. Conduction band-edge d-states in high-k dielectrics due to Jahn-Teller term splittings

    International Nuclear Information System (INIS)

    Lucovsky, G.; Fulton, C.C.; Zhang, Y.; Luning, J.; Edge, L.; Whitten, J.L.; Nemanich, R.J.; Schlom, D.G.; Afanase'v, V.V.

    2005-01-01

    X-ray absorption spectroscopy (XAS) is used to study conduction band edge electronic structure of high-k transition metal (TM) and trivalent lanthanide series rare earth (RE) oxide dielectrics. Empty TM/RE d-states are studied by intra-atomic transitions originating in core level spin-orbit split p-states, and conduction band states are studied in inter-atomic transitions which originate in the oxygen atom 1s core level state. In non-crystalline Zr and Hf silicate alloys, the local bonding symmetry, or crystal field splits these d-states into doubly and triply degenerate features. In nano-crystalline oxides, there are additional d-state splittings due to contributions of more distant neighbors that completely remove d-state degeneracies via the Jahn-Teller effect mechanism. This gives rise to highly localized band edge states that are electronically active in photoconductivity, internal photoemission, and act as bulk traps in metal oxide semiconductor (MOS) devices

  15. Selective Population of Edge States in a 2D Topological Band System.

    Science.gov (United States)

    Galilo, Bogdan; Lee, Derek K K; Barnett, Ryan

    2015-12-11

    We consider a system of interacting spin-one atoms in a hexagonal lattice under the presence of a synthetic gauge field. Quenching the quadratic Zeeman field is shown to lead to a dynamical instability of the edge modes. This, in turn, leads to a spin current along the boundary of the system which grows exponentially fast in time following the quench. Tuning the magnitude of the quench can be used to selectively populate edge modes of different momenta. Implications of the intrinsic symmetries of the Hamiltonian on the dynamics are discussed. The results hold for atoms with both antiferromagnetic and ferromagnetic interactions.

  16. Monitoring self-adaptive applications within edge computing frameworks: A state-of-the-art review

    NARCIS (Netherlands)

    Taherizadeh, S.; Jones, A.C.; Taylor, I.; Zhao, Z.; Stankovski, V.

    Recently, a promising trend has evolved from previous centralized computation to decentralized edge computing in the proximity of end-users to provide cloud applications. To ensure the Quality of Service (QoS) of such applications and Quality of Experience (QoE) for the end-users, it is necessary to

  17. Diamond Nucleation Using Polyethene

    Science.gov (United States)

    Morell, Gerardo (Inventor); Makarov, Vladimir (Inventor); Varshney, Deepak (Inventor); Weiner, Brad (Inventor)

    2013-01-01

    The invention presents a simple, non-destructive and non-abrasive method of diamond nucleation using polyethene. It particularly describes the nucleation of diamond on an electrically viable substrate surface using polyethene via chemical vapor deposition (CVD) technique in a gaseous environment.

  18. Void nucleation at heterogeneities

    International Nuclear Information System (INIS)

    Seyyedi, S.A.; Hadji-Mirzai, M.; Russell, K.C.

    The energetics and kinetics of void nucleation at dislocations and interfaces are analyzed. These are potential void nucleation sites only when they are not point defect sinks. Both kinds of site are found to be excellent catalysts in the presence of inert gas

  19. Nonclassical nucleation pathways in protein crystallization.

    Science.gov (United States)

    Zhang, Fajun

    2017-11-08

    Classical nucleation theory (CNT), which was established about 90 years ago, has been very successful in many research fields, and continues to be the most commonly used theory in describing the nucleation process. For a fluid-to-solid phase transition, CNT states that the solute molecules in a supersaturated solution reversibly form small clusters. Once the cluster size reaches a critical value, it becomes thermodynamically stable and favored for further growth. One of the most important assumptions of CNT is that the nucleation process is described by one reaction coordinate and all order parameters proceed simultaneously. Recent studies in experiments, computer simulations and theory have revealed nonclassical features in the early stage of nucleation. In particular, the decoupling of order parameters involved during a fluid-to-solid transition leads to the so-called two-step nucleation mechanism, in which a metastable intermediate phase (MIP) exists between the initial supersaturated solution and the final crystals. Depending on the exact free energy landscapes, the MIPs can be a high density liquid phase, mesoscopic clusters, or a pre-ordered state. In this review, we focus on the studies of nonclassical pathways in protein crystallization and discuss the applications of the various scenarios of two-step nucleation theory. In particular, we focus on protein solutions in the presence of multivalent salts, which serve as a model protein system to study the nucleation pathways. We wish to point out the unique features of proteins as model systems for further studies.

  20. Nonclassical nucleation pathways in protein crystallization

    Science.gov (United States)

    Zhang, Fajun

    2017-11-01

    Classical nucleation theory (CNT), which was established about 90 years ago, has been very successful in many research fields, and continues to be the most commonly used theory in describing the nucleation process. For a fluid-to-solid phase transition, CNT states that the solute molecules in a supersaturated solution reversibly form small clusters. Once the cluster size reaches a critical value, it becomes thermodynamically stable and favored for further growth. One of the most important assumptions of CNT is that the nucleation process is described by one reaction coordinate and all order parameters proceed simultaneously. Recent studies in experiments, computer simulations and theory have revealed nonclassical features in the early stage of nucleation. In particular, the decoupling of order parameters involved during a fluid-to-solid transition leads to the so-called two-step nucleation mechanism, in which a metastable intermediate phase (MIP) exists between the initial supersaturated solution and the final crystals. Depending on the exact free energy landscapes, the MIPs can be a high density liquid phase, mesoscopic clusters, or a pre-ordered state. In this review, we focus on the studies of nonclassical pathways in protein crystallization and discuss the applications of the various scenarios of two-step nucleation theory. In particular, we focus on protein solutions in the presence of multivalent salts, which serve as a model protein system to study the nucleation pathways. We wish to point out the unique features of proteins as model systems for further studies.

  1. Ion irradiation enhanced crystal nucleation in amorphous Si thin films

    International Nuclear Information System (INIS)

    Im, J.S.; Atwater, H.A.

    1990-01-01

    The nucleation kinetics of the amorphous-to-crystal transition of Si films under 1.5 MeV Xe + irradiation have been investigated by means of in situ transmission electron microscopy in the temperature range T=500--580 degree C. After an incubation period during which negligible nucleation occurs, a constant nucleation rate was observed in steady state, suggesting that homogeneous nucleation occurred. Compared to thermal crystallization, a significant enhancement in the nucleation rate during high-energy ion irradiation (five to seven orders of magnitude) was observed with an apparent activation energy of 3.9±0.75 eV

  2. Observation of valleylike edge states of sound at a momentum away from the high-symmetry points

    Science.gov (United States)

    Xia, Bai-Zhan; Zheng, Sheng-Jie; Liu, Ting-Ting; Jiao, Jun-Rui; Chen, Ning; Dai, Hong-Qing; Yu, De-Jie; Liu, Jian

    2018-04-01

    In condensed matter physics, topologically protected edge transportation has drawn extensive attention over recent years. Thus far, the topological valley edge states have been produced near the Dirac cones fixed at the high-symmetry points of the Brillouin zone. In this paper, we demonstrate a unique valleylike phononic crystal (PnC) with the position-varying Dirac cones at the high-symmetry lines of the Brillouin zone boundary. The emergence of such Dirac cones, characterized by the vortex structure in a momentum space, is attributed to the unavoidable band crossing protected by the mirror symmetry. The Dirac cones can be unbuckled and a complete band gap can be induced through breaking the mirror symmetry. Interestingly, by simply rotating the square columns, we realize the valleylike vortex states and the band inversion effect which leads to the valley Hall phase transition. Along the valleylike PnC interfaces separating two distinct acoustic valley Hall phases, the valleylike protected edge transport of sound in domain walls is observed in both the simulations and the experiments. These results are promising for the exploration of alternative topological phenomena in the valleylike PnCs beyond the graphenelike lattice.

  3. Microanalysis of iron oxidation state in iron oxides using X Ray Absorption Near Edge Structure (XANES)

    Science.gov (United States)

    Sutton, S. R.; Delaney, J.; Bajt, S.; Rivers, M. L.; Smith, J. V.

    1993-01-01

    An exploratory application of x ray absorption near edge structure (XANES) analysis using the synchrotron x ray microprobe was undertaken to obtain Fe XANES spectra on individual sub-millimeter grains in conventional polished sections. The experiments concentrated on determinations of Fe valence in a suite of iron oxide minerals for which independent estimates of the iron speciation could be made by electron microprobe analysis and x ray diffraction.

  4. Information processing in echo state networks at the edge of chaos.

    Science.gov (United States)

    Boedecker, Joschka; Obst, Oliver; Lizier, Joseph T; Mayer, N Michael; Asada, Minoru

    2012-09-01

    We investigate information processing in randomly connected recurrent neural networks. It has been shown previously that the computational capabilities of these networks are maximized when the recurrent layer is close to the border between a stable and an unstable dynamics regime, the so called edge of chaos. The reasons, however, for this maximized performance are not completely understood. We adopt an information-theoretical framework and are for the first time able to quantify the computational capabilities between elements of these networks directly as they undergo the phase transition to chaos. Specifically, we present evidence that both information transfer and storage in the recurrent layer are maximized close to this phase transition, providing an explanation for why guiding the recurrent layer toward the edge of chaos is computationally useful. As a consequence, our study suggests self-organized ways of improving performance in recurrent neural networks, driven by input data. Moreover, the networks we study share important features with biological systems such as feedback connections and online computation on input streams. A key example is the cerebral cortex, which was shown to also operate close to the edge of chaos. Consequently, the behavior of model systems as studied here is likely to shed light on reasons why biological systems are tuned into this specific regime.

  5. Solid-state drawing of β-nucleated polypropylene : effect of additives on drawability and mechanical properties

    NARCIS (Netherlands)

    Luijsterburg, B.J.; Jobse, P.; Hermida Merino, D.; Peijs, A.A.J.M.; Goossens, J.G.P.

    2014-01-01

    Isotactic polypropylene can crystallize in different crystal modifications. In this paper, the effect of sepiolite (1D) and carbon black (3D) fillers on the solid-state drawability of i-PP is discussed. The cross-hatched structure of thermodynamically most stable a-crystal phase in isotactic i-PP

  6. Nucleation of voids - the impurity effect

    International Nuclear Information System (INIS)

    Chen, I-W; Taiwo, A.

    1984-01-01

    Nucleation of voids under irradiation in multicomponent alloys remains an unsolved theoretical problem. Of particular interest are the effects of nonequilibrium solute segregation phenomena on the critical nucleus and the nucleation rate. The resolution of the multicomponent nucleation in a dissipative system also has broader implication to the field of irreversible thermodynamics. The present paper describes a recent study of solute segregation effects in void nucleation. We begin with a thermodynamic model for a nonequilibrium void with interfacial segregation. The thermodynamic model is coupled with kinetic considerations of solute/solvent diffusion under a bias, which is itself related to segregation by the coating effect, to assess the stability of void embryos. To determine nucleation rate, we develop a novel technique by extending the most probable path method in statistical mechanics for nonequilibrium steady state to simulate large fluctuation with nonlinear dissipation. The path of nucleation is determined by solving an analogous problem on particle trajectory in classical dynamics. The results of both the stability analysis and the fluctuation analysis establish the paramount significance of the impurity effect via the mechanism of nonequilibrium segregation. We conclude that over-segregation is probably the most general cause for the apparently low nucleation barriers that are responsible for nearly ubiquitous occurrence of void swelling in common metals

  7. Copper Oxidation through Nucleation Sites of Chemical Vapor Deposited Graphene

    DEFF Research Database (Denmark)

    Luo, Birong; Whelan, Patrick Rebsdorf; Shivayogimath, Abhay

    2016-01-01

    We investigate the nucleation defect-triggered oxidation of Cu covered by CVD graphene during postannealing in air. The results reveal that different growth conditions may induce imperfect nucleation of graphene, and cause creation of defects near the nucleation point such as pin holes...... and amorphous carbon. These defects would serve as a pathway for the diffusion of 02 during thermal annealing, allowing oxidation of Cu to progress gradually from the nucleation center toward the growth edge. The oxidation process follows the graphene morphology closely; the shape of the oxidized area of Cu has...... a striking resemblance to that of the graphene flakes. Our work demonstrates that inferior graphene nucleation in CVD processes can compromise the oxidation resistance of a graphene-coated Cu substrate, and indirectly reveal the structure and integrity of graphene, which is of fundamental importance...

  8. A k · p treatment of edge states in narrow 2D topological insulators, with standard boundary conditions for the wave function and its derivative.

    Science.gov (United States)

    Klipstein, P C

    2018-07-11

    For 2D topological insulators with strong electron-hole hybridization, such as HgTe/CdTe quantum wells, the widely used 4  ×  4 k · p Hamiltonian based on the first electron and heavy hole sub-bands yields an equal number of physical and spurious solutions, for both the bulk states and the edge states. For symmetric bands and zero wave vector parallel to the sample edge, the mid-gap bulk solutions are identical to the edge solutions. In all cases, the physical edge solution is exponentially localized to the boundary and has been shown previously to satisfy standard boundary conditions for the wave function and its derivative, even in the limit of an infinite wall potential. The same treatment is now extended to the case of narrow sample widths, where for each spin direction, a gap appears in the edge state dispersions. For widths greater than 200 nm, this gap is less than half of the value reported for open boundary conditions, which are called into question because they include a spurious wave function component. The gap in the edge state dispersions is also calculated for weakly hybridized quantum wells such as InAs/GaSb/AlSb. In contrast to the strongly hybridized case, the edge states at the zone center only have pure exponential character when the bands are symmetric and when the sample has certain characteristic width values.

  9. One-way propagation of bulk states and robust edge states in photonic crystals with broken inversion and time-reversal symmetries

    Science.gov (United States)

    Lu, Jin-Cheng; Chen, Xiao-Dong; Deng, Wei-Min; Chen, Min; Dong, Jian-Wen

    2018-07-01

    The valley is a flexible degree of freedom for light manipulation in photonic systems. In this work, we introduce the valley concept in magnetic photonic crystals with broken inversion symmetry. One-way propagation of bulk states is demonstrated by exploiting the pseudo-gap where bulk states only exist at one single valley. In addition, the transition between Hall and valley-Hall nontrivial topological phases is also studied in terms of the competition between the broken inversion and time-reversal symmetries. At the photonic boundary between two topologically distinct photonic crystals, we illustrate the one-way propagation of edge states and demonstrate their robustness against defects.

  10. Residual Stress State in Single-Edge Notched Tension Specimen Caused by the Local Compression Technique

    Directory of Open Access Journals (Sweden)

    Huang Yifan

    2016-12-01

    Full Text Available Three-dimensional (3D finite element analyses (FEA are performed to simulate the local compression (LC technique on the clamped single-edge notched tension (SE(T specimens. The analysis includes three types of indenters, which are single pair of cylinder indenters (SPCI, double pairs of cylinder indenters (DPCI and single pair of ring indenters (SPRI. The distribution of the residual stress in the crack opening direction in the uncracked ligament of the specimen is evaluated. The outcome of this study can facilitate the use of LC technique on SE(T specimens.

  11. The self-consistent calculation of the edge states in bilayer quantum Hall bar

    International Nuclear Information System (INIS)

    Kavruk, A E; Orzturk, T; Orzturk, A; Atav, U; Yuksel, H

    2011-01-01

    In this study, we present the spatial distributions of the edge channels for each layer in bilayer quantum Hall bar geometry for a wide range of applied magnetic fields. For this purpose, we employ a self-consistent Thomas-Fermi-Poisson approach to obtain the electron density distributions and related screened potential distributions. In order to have a more realistic description of the system we solve three dimensional Poisson equation numerically in each iteration step to obtain self consistency in the Thomas-Fermi-Poisson approach instead of employing a 'frozen gate' approximation.

  12. Cytoplasmic Nucleation and Atypical Branching Nucleation Generate Endoplasmic Microtubules in Physcomitrella patens[OPEN

    Science.gov (United States)

    Nakaoka, Yuki; Kimura, Akatsuki; Tani, Tomomi; Goshima, Gohta

    2015-01-01

    The mechanism underlying microtubule (MT) generation in plants has been primarily studied using the cortical MT array, in which fixed-angled branching nucleation and katanin-dependent MT severing predominate. However, little is known about MT generation in the endoplasm. Here, we explored the mechanism of endoplasmic MT generation in protonemal cells of Physcomitrella patens. We developed an assay that utilizes flow cell and oblique illumination fluorescence microscopy, which allowed visualization and quantification of individual MT dynamics. MT severing was infrequently observed, and disruption of katanin did not severely affect MT generation. Branching nucleation was observed, but it showed markedly variable branch angles and was occasionally accompanied by the transport of nucleated MTs. Cytoplasmic nucleation at seemingly random locations was most frequently observed and predominated when depolymerized MTs were regrown. The MT nucleator γ-tubulin was detected at the majority of the nucleation sites, at which a single MT was generated in random directions. When γ-tubulin was knocked down, MT generation was significantly delayed in the regrowth assay. However, nucleation occurred at a normal frequency in steady state, suggesting the presence of a γ-tubulin-independent backup mechanism. Thus, endoplasmic MTs in this cell type are generated in a less ordered manner, showing a broader spectrum of nucleation mechanisms in plants. PMID:25616870

  13. Homogeneous droplet nucleation modeled using the gradient theory combined with the PC-SAFT equation of state

    Directory of Open Access Journals (Sweden)

    Vinš Václav

    2013-04-01

    Full Text Available In this work, we used the density gradient theory (DGT combined with the cubic equation of state (EoS by Peng and Robinson (PR and the perturbed chain (PC modification of the SAFT EoS developed by Gross and Sadowski [1]. The PR EoS is based on very simplified physical foundations, it has significant limitations in the accuracy of the predicted thermodynamic properties. On the other hand, the PC-SAFT EoS combines different intermolecular forces, e.g., hydrogen bonding, covalent bonding, Coulombic forces which makes it more accurate in predicting of the physical variables. We continued in our previous works [2,3] by solving the boundary value problem which arose by mathematical solution of the DGT formulation and including the boundary conditions. Achieving the numerical solution was rather tricky; this study describes some of the crucial developments that helped us to overcome the partial problems. The most troublesome were computations for low temperatures where we achieved great improvements compared to [3]. We applied the GT for the n-alkanes: nheptane, n-octane, n-nonane, and n-decane because of the availability of the experimental data. Comparing them with our numerical results, we observed great differences between the theories; the best results gave the combination of the GT and the PC-SAFT. However, a certain temperature drift was observed that is not satisfactorily explained by the present theories.

  14. A nanoscale temperature-dependent heterogeneous nucleation theory

    International Nuclear Information System (INIS)

    Cao, Y. Y.; Yang, G. W.

    2015-01-01

    Classical nucleation theory relies on the hypothetical equilibrium of the whole nucleation system, and neglects the thermal fluctuations of the surface; this is because the high entropic gains of the (thermodynamically extensive) surface would lead to multiple stable states. In fact, at the nanometer scale, the entropic gains of the surface are high enough to destroy the stability of the thermal equilibrium during nucleation, comparing with the whole system. We developed a temperature-dependent nucleation theory to elucidate the heterogeneous nucleation process, by considering the thermal fluctuations based on classical nucleation theory. It was found that the temperature not only affected the phase transformation, but also influenced the surface energy of the nuclei. With changes in the Gibbs free energy barrier, nucleation behaviors, such as the nucleation rate and the critical radius of the nuclei, showed temperature-dependent characteristics that were different from those predicted by classical nucleation theory. The temperature-dependent surface energy density of a nucleus was deduced based on our theoretical model. The agreement between the theoretical and experimental results suggested that the developed nucleation theory has the potential to contribute to the understanding and design of heterogeneous nucleation at the nanoscale

  15. Strong reflection and periodic resonant transmission of helical edge states in topological-insulator stub-like resonators

    International Nuclear Information System (INIS)

    Takagaki, Y.

    2015-01-01

    The helical edge states of two-dimensional topological insulators (TIs) experience appreciable quantum mechanical scattering in narrow channels when the width changes abruptly. The interference of the geometry scattering in narrow-wide-narrow waveguide structures is shown to give rise to the strong suppression of transmission when the incident energy is barely above the propagation threshold. Periodic resonant transmission takes place in this high reflection regime while the length of the wide section is varied. The resonance condition is governed by the transverse confinement in the wide section, where the form of quantization is manifested to differ for the two orthogonal directions. The confined energy levels in TI quantum dots are derived based on this observation. In addition, the off-diagonal spin-orbit term is found to produce an anomalous resonance state, which merges with the bottom ordinary resonance state to annihilate

  16. Effect of chemical mixing state on the hygroscopicity and cloud nucleation properties of calcium mineral dust particles

    Directory of Open Access Journals (Sweden)

    R. C. Sullivan

    2009-05-01

    Full Text Available Atmospheric mineral dust particles can alter cloud properties and thus climate by acting as cloud condensation nuclei (CCN that form cloud droplets. The CCN activation properties of various calcium mineral dust particles were studied experimentally to investigate the consequences of field observations showing the segregation of sulphate from nitrate and chloride between individual aged Asian dust particles, and the enrichment of oxalic acid in Asian dust. Each mineral's observed apparent hygroscopicity was primarily controlled by its solubility, which determines the degree to which the mineral's intrinsic hygroscopicity can be expressed. The significant increase in hygroscopicity caused by mixing soluble hygroscopic material with insoluble mineral particles is also presented. Insoluble minerals including calcium carbonate, representing fresh unprocessed dust, and calcium sulphate, representing atmospherically processed dust, had similarly small apparent hygroscopicities. Their activation is accurately described by a deliquescence limit following the Kelvin effect and corresponded to an apparent single-hygroscopicity parameter, κ, of ~0.001. Soluble calcium chloride and calcium nitrate, representing atmospherically processed mineral dust particles, were much more hygroscopic, activating similar to ammonium sulphate with κ~0.5. Calcium oxalate monohydrate (κ=0.05 was significantly less CCN-active than oxalic acid (κ=0.3, but not as inactive as its low solubility would predict. These results indicate that the common assumption that all mineral dust particles become more hygroscopic and CCN-active after atmospheric processing should be revisited. Calcium sulphate and calcium oxalate are two realistic proxies for aged mineral dust that remain non-hygroscopic. The dust's apparent hygroscopicity will be controlled by its chemical mixing state, which is determined by its mineralogy and the chemical reaction pathways it experiences

  17. Shaping charge excitations in chiral edge states with a time-dependent gate voltage

    Science.gov (United States)

    Misiorny, Maciej; Fève, Gwendal; Splettstoesser, Janine

    2018-02-01

    We study a coherent conductor supporting a single edge channel in which alternating current pulses are created by local time-dependent gating and sent on a beam-splitter realized by a quantum point contact. The current response to the gate voltage in this setup is intrinsically linear. Based on a fully self-consistent treatment employing a Floquet scattering theory, we analyze the effect of different voltage shapes and frequencies, as well as the role of the gate geometry on the injected signal. In particular, we highlight the impact of frequency-dependent screening on the process of shaping the current signal. The feasibility of creating true single-particle excitations with this method is confirmed by investigating the suppression of excess noise, which is otherwise created by additional electron-hole pair excitations in the current signal.

  18. Structural motifs of pre-nucleation clusters.

    Science.gov (United States)

    Zhang, Y; Türkmen, I R; Wassermann, B; Erko, A; Rühl, E

    2013-10-07

    Structural motifs of pre-nucleation clusters prepared in single, optically levitated supersaturated aqueous aerosol microparticles containing CaBr2 as a model system are reported. Cluster formation is identified by means of X-ray absorption in the Br K-edge regime. The salt concentration beyond the saturation point is varied by controlling the humidity in the ambient atmosphere surrounding the 15-30 μm microdroplets. This leads to the formation of metastable supersaturated liquid particles. Distinct spectral shifts in near-edge spectra as a function of salt concentration are observed, in which the energy position of the Br K-edge is red-shifted by up to 7.1 ± 0.4 eV if the dilute solution is compared to the solid. The K-edge positions of supersaturated solutions are found between these limits. The changes in electronic structure are rationalized in terms of the formation of pre-nucleation clusters. This assumption is verified by spectral simulations using first-principle density functional theory and molecular dynamics calculations, in which structural motifs are considered, explaining the experimental results. These consist of solvated CaBr2 moieties, rather than building blocks forming calcium bromide hexahydrates, the crystal system that is formed by drying aqueous CaBr2 solutions.

  19. Dirac Cones, Topological Edge States, and Nontrivial Flat Bands in Two-Dimensional Semiconductors with a Honeycomb Nanogeometry

    Directory of Open Access Journals (Sweden)

    E. Kalesaki

    2014-01-01

    Full Text Available We study theoretically two-dimensional single-crystalline sheets of semiconductors that form a honeycomb lattice with a period below 10 nm. These systems could combine the usual semiconductor properties with Dirac bands. Using atomistic tight-binding calculations, we show that both the atomic lattice and the overall geometry influence the band structure, revealing materials with unusual electronic properties. In rocksalt Pb chalcogenides, the expected Dirac-type features are clouded by a complex band structure. However, in the case of zinc-blende Cd-chalcogenide semiconductors, the honeycomb nanogeometry leads to rich band structures, including, in the conduction band, Dirac cones at two distinct energies and nontrivial flat bands and, in the valence band, topological edge states. These edge states are present in several electronic gaps opened in the valence band by the spin-orbit coupling and the quantum confinement in the honeycomb geometry. The lowest Dirac conduction band has S-orbital character and is equivalent to the π-π^{⋆} band of graphene but with renormalized couplings. The conduction bands higher in energy have no counterpart in graphene; they combine a Dirac cone and flat bands because of their P-orbital character. We show that the width of the Dirac bands varies between tens and hundreds of meV. These systems emerge as remarkable platforms for studying complex electronic phases starting from conventional semiconductors. Recent advancements in colloidal chemistry indicate that these materials can be synthesized from semiconductor nanocrystals.

  20. Nucleation reactions during deformation and crystallization of metallic glass

    International Nuclear Information System (INIS)

    Perepezko, J.H.; Imhoff, S.D.; Chen, M.W.; Gonzalez, S.; Inoue, A.

    2012-01-01

    Highlights: ► New approach to the examination and analysis of shear band nucleation. ► Discovery of multiple shear band nucleation sites. ► Identification of a method of using transient kinetic behavior to provide a more realistic evaluation of the diffusivity that is relevant to nucleation. - Abstract: Nucleation reactions play a central role in the synthesis of both bulk metallic glasses and nanostructured materials. For nanostructured materials it is necessary to promote a high nucleation density without significant growth or coarsening. Beyond crystallization reactions nucleation of shear bands is critical for promoting a homogeneous flow and useful ductility for structural applications of bulk metallic glass. The study and analysis of nucleation reactions for these different situations requires a consideration of the stochastic nature of nucleation, the influence of heterogeneous sites, and the controlling transport properties. For shear band nucleation, the stochastic nature can be effectively probed by instrumented nanoindentation tests. The analysis of a statistically significant number of measurements of the first pop-in shear band nucleation events reveals at least two main nucleation sites. In nanostructured composites, the initial nucleation stage is influenced by transient effects as reflected in the delay time prior to steady state nucleation and by heterogeneous nucleation sites that are related to medium range order regions in Al-base amorphous alloys. Moreover, the early growth characteristics are linked to the maximum achievable particle density. The new developments and insight on the fundamental understanding of nanostructure reaction mechanisms offer valuable guidance for control of nanoscale microstructures and for promoting ductile deformation behavior.

  1. Topological quantum phase transitions and edge states in spin-orbital coupled Fermi gases.

    Science.gov (United States)

    Zhou, Tao; Gao, Yi; Wang, Z D

    2014-06-11

    We study superconducting states in the presence of spin-orbital coupling and Zeeman field. It is found that a phase transition from a Fulde-Ferrell-Larkin-Ovchinnikov state to the topological superconducting state occurs upon increasing the spin-orbital coupling. The nature of this topological phase transition and its critical property are investigated numerically. Physical properties of the topological superconducting phase are also explored. Moreover, the local density of states is calculated, through which the topological feature may be tested experimentally.

  2. The state-of-the-art of emergency contraception with the cutting edge drug

    Directory of Open Access Journals (Sweden)

    Sarkar, Narendra Nath

    2011-01-01

    Full Text Available The objective of this study is to evaluate and elucidated the potential of selective progesterone receptor modulators (SPRMs to be an effective emergency contraception (EC. The data are extracted from the literature through the MEDLINE database service from 2000–2010. The SPRMs are in fact progesterone receptor ligands that could bind to progesterone receptor (PR and exert antagonistic, agonistic or mixed agonist-antagonistic effects. These SPRMs are mifepristone, onapristone, asoprisnil, ulipristal, proellex among other compounds. Currently developed SPRMs may exert contraceptive effects by inhibiting ovulation and retarding endometrial synchronization. Low-doses of progesterone antagonists retard endometrial maturation without affecting ovulation. Mifepristone being a SPRM is effective for prevention of pregnancy but with prostaglandin acts as an excellent abortifacient; yet could not compete with levonorgestrel as EC. However, a single dose of 30 mg ulipristal acetate, another SPRM with similar effectiveness and side effect profiles as 1.5 mg levonorgestrel EC, has shown wider ‘window of effect’ by inhibition of the LH peak even if administered at the advanced pre-ovulatory phase, a time when use of levonorgestrel EC is no longer effective. Thus, ulipristal acetate goes one-step ahead of levonorgestrel in the field of emergency contraception treatment. Further studies are needed to explore the potential of other SPRMs to be cutting edge emergency contraceptive drugs.

  3. Fresno State joins CERN-related program to explore cutting edge physics

    CERN Multimedia

    2008-01-01

    California State University, Fresno has joined a collaboration of top physicists to work with what scientists believe will be the driving force behind high-energy physics for the foreseeable future. The program is the ATLAS (an acronym for A Toroidal LHC ApparatuS) experiment, which makes use of the Large Hadron Collider under construction at the European Organization for Nuclear Research (CERN) near Geneva, Switzerland. Fresno State says it is the only one of the 23 California State University system schools participating in the LHC program and CERN.

  4. Return to nucleate boiling

    International Nuclear Information System (INIS)

    Shumway, R.W.

    1985-01-01

    This paper presents a collection of TMIN (temperature of return to nucleate boiling) correlations, evaluates them under several conditions, and compares them with a wide range of data. Purpose is to obtain the best one for use in a water reactor safety computer simulator known as TRAC-B. Return to nucleate boiling can occur in a reactor accident at either high or low pressure and flow rates. Most of the correlations yield unrealistic results under some conditions. A new correlation is proposed which overcomes many of the deficiencies

  5. On the impact of multi-axial stress states on trailing edge bondlines in wind turbine rotor blades

    Science.gov (United States)

    Noever Castelos, Pablo; Balzani, Claudio

    2016-09-01

    For a reliable design of wind turbine systems all of their components have to be designed to withstand the loads appearing in the turbine's lifetime. When performed in an integral manner this is called systems engineering, and is exceptionally important for components that have an impact on the entire wind turbine system, such as the rotor blade. Bondlines are crucial subcomponents of rotor blades, but they are not much recognized in the wind energy research community. However, a bondline failure can lead to the loss of a rotor blade, and potentially of the entire turbine, and is extraordinarily relevant to be treated with strong emphasis when designing a wind turbine. Modern wind turbine rotor blades with lengths of 80 m and more offer a degree of flexibility that has never been seen in wind energy technology before. Large deflections result in high strains in the adhesive connections, especially at the trailing edge. The latest edition of the DNV GL guideline from end of 2015 demands a three-dimensional stress analysis of bondlines, whereas before an isolated shear stress proof was sufficient. In order to quantify the lack of safety from older certification guidelines this paper studies the influence of multi-axial stress states on the ultimate and fatigue load resistance of trailing edge adhesive bonds. For this purpose, detailed finite element simulations of the IWES IWT-7.5-164 reference wind turbine blades are performed. Different yield criteria are evaluated for the prediction of failure and lifetime. The results show that the multi-axial stress state is governed by span-wise normal stresses. Those are evidently not captured in isolated shear stress proofs, yielding non-conservative estimates of lifetime and ultimate load resistance. This finding highlights the importance to include a three-dimensional stress state in the failure analysis of adhesive bonds in modern wind turbine rotor blades, and the necessity to perform a three-dimensional characterization

  6. Using measurements of the aerosol charging state in determination of the particle growth rate and the proportion of ion-induced nucleation

    Directory of Open Access Journals (Sweden)

    J. Leppä

    2013-01-01

    Full Text Available The fraction of charged nucleation mode particles as a function of particle diameter depends on the particle growth rate and the proportion of particles formed via ion-induced nucleation. In this study we have tested the applicability of recent data analysis methods to determine the growth rate and the proportion of ion-induced nucleation from the measured charged fractions. For this purpose we have conducted a series of aerosol dynamic simulations covering a wide range of atmospheric conditions. The growth rate and initial fraction of charged particles were estimated from simulated data using these methods and compared with the values obtained directly from the simulations. We found that the data analysis methods used in this study should not be used when the nuclei growth rate is less than ~3 nm h−1, or when charged particles grow much more rapidly than neutral ones. Furthermore, we found that the difference in removal rates of neutral and charged particles should be taken into account when estimating the proportion of ion-induced nucleation. Neglecting the higher removal rate of charged particles compared with that of neutral ones could result in an underestimation of the proportion of ion-induced nucleation by up to a factor of 2. This underestimation is further increased if charged particles grow more rapidly than neutral ones. We also provided a simple way of assessing whether these methods are suitable for analyzing data measured under specific conditions. The assessment procedure was illustrated using a few examples of actual measurement sites with a more detailed examination of the typical conditions observed at the SMEAR II station in Hyytiälä, Finland.

  7. Probing Individual Ice Nucleation Events with Environmental Scanning Electron Microscopy

    Science.gov (United States)

    Wang, Bingbing; China, Swarup; Knopf, Daniel; Gilles, Mary; Laskin, Alexander

    2016-04-01

    Heterogeneous ice nucleation is one of the processes of critical relevance to a range of topics in the fundamental and the applied science and technologies. Heterogeneous ice nucleation initiated by particles proceeds where microscopic properties of particle surfaces essentially control nucleation mechanisms. Ice nucleation in the atmosphere on particles governs the formation of ice and mixed phase clouds, which in turn influence the Earth's radiative budget and climate. Heterogeneous ice nucleation is still insufficiently understood and poses significant challenges in predictive understanding of climate change. We present a novel microscopy platform allowing observation of individual ice nucleation events at temperature range of 193-273 K and relative humidity relevant for ice formation in the atmospheric clouds. The approach utilizes a home built novel ice nucleation cell interfaced with Environmental Scanning Electron Microscope (IN-ESEM system). The IN-ESEM system is applied for direct observation of individual ice formation events, determining ice nucleation mechanisms, freezing temperatures, and relative humidity onsets. Reported microanalysis of the ice nucleating particles (INP) include elemental composition detected by the energy dispersed analysis of X-rays (EDX), and advanced speciation of the organic content in particles using scanning transmission x-ray microscopy with near edge X-ray absorption fine structure spectroscopy (STXM/NEXAFS). The performance of the IN-ESEM system is validated through a set of experiments with kaolinite particles with known ice nucleation propensity. We demonstrate an application of the IN-ESEM system to identify and characterize individual INP within a complex mixture of ambient particles.

  8. Nonequilibrium thermodynamics of nucleation

    NARCIS (Netherlands)

    Schweizer, M.; Sagis, L.M.C.

    2014-01-01

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a

  9. Improvement of mobility edge model by using new density of states with exponential tail for organic diode

    International Nuclear Information System (INIS)

    Muhammad Ammar Khan; Sun Jiu-Xun

    2015-01-01

    The mobility edge (ME) model with single Gaussian density of states (DOS) is simplified based on the recent experimental results about the Einstein relationship. The free holes are treated as being non-degenerate, and the trapped holes are dealt with as being degenerate. This enables the integral for the trapped holes to be easily realized in a program. The J–V curves are obtained through solving drift-diffusion equations. When this model is applied to four organic diodes, an obvious deviation between theoretical curves and experimental data is observed. In order to solve this problem, a new DOS with exponential tail is proposed. The results show that the consistence between J–V curves and experimental data based on a new DOS is far better than that based on the Gaussian DOS. The variation of extracted mobility with temperature can be well described by the Arrhenius relationship. (paper)

  10. 12 CFR 211.6 - Permissible activities of Edge and agreement corporations in the United States.

    Science.gov (United States)

    2010-01-01

    ... investment portfolio does not include operational management of real property, or industrial or commercial... upon the order and for the account and risk of, a person, provided such services for U.S. persons are... States; (v) Act as investment or financial adviser by providing portfolio investment advice and portfolio...

  11. A closer look at forests on the edge: future development on private forests in three states.

    Science.gov (United States)

    Eric White; Rhonda. Mazza

    2008-01-01

    Privately owned forests provide many public benefits, including clean water and air, wildlife habitat, and recreational opportunities. By 2030, 44.2 million acres of rural private forest land across the conterminous United States are projected to experience substantial increases in residential development. As housing density increases, the public benefits provided by...

  12. Topological origin of edge states in two-dimensional inversion-symmetric insulators and semimetals

    NARCIS (Netherlands)

    Miert, Guido van|info:eu-repo/dai/nl/413490378; Ortix, Carmine|info:eu-repo/dai/nl/413315304; de Morais Smith, C.|info:eu-repo/dai/nl/304836346

    2017-01-01

    Symmetries play an essential role in identifying and characterizing topological states of matter. Here, we classify topologically two-dimensional (2D) insulators and semimetals with vanishing spin-orbit coupling using time-reversal ($\\mathcal{T}$) and inversion ($\\mathcal{I}$) symmetry. This allows

  13. The effect of dephasing on edge state transport through p-n junctions in HgTe/CdTe quantum wells.

    Science.gov (United States)

    Zhang, Ying-Tao; Song, Juntao; Sun, Qing-Feng

    2014-02-26

    Using the Landauer-Büttiker formula, we study the effect of dephasing on the transport properties of the HgTe/CdTe p-n junction. It is found that in the HgTe/CdTe p-n junction the topologically protected gapless helical edge states manifest a quantized 2e²/h plateau robust against dephasing, in sharp contrast to the case for the normal HgTe/CdTe quantum well. This robustness of the transport properties of the edge states against dephasing should be attributed to the special construction of the HgTe/CdTe p-n junction, which limits the gapless helical edge states to a very narrow region and thus weakens the influence of the dephasing on the gapless edge states to a large extent. Our results demonstrate that the p-n junction could be a substitute device for use in experimentally observing the robust edge states and quantized plateau. Finally, we present a feasible scheme based on current experimental methods.

  14. Thomas Edison State College and Colorado State University: Using Cutting-Edge Technology to Enhance CE Unit Success

    Science.gov (United States)

    van Zyl, Henry; Powell, Albert, Jr.

    2012-01-01

    Thomas Edison State College (TESC) and Colorado State University (CSU) offer significant contrasts in institutional culture, student demographics, faculty and institutional priorities and approaches to distance education course development and delivery. This article offers case studies showing that widely disparate program design and delivery…

  15. Window Spacers and Edge Seals in Insulating Glass Units: A State-of-the-Art Review and Future Perspectives

    Energy Technology Data Exchange (ETDEWEB)

    SINTEF Building and Infrastructure; Norwegian University of Science and Technology (NTNU); Bergh, Sofie Van Den; Hart, Robert; Jelle, Bjrn Petter; Gustavsen, Arild

    2013-01-31

    Insulating glass (IG) units typically consist of multiple glass panes that are sealed and held together structurally along their perimeters. This report describes a study of edge seals in IG units. First, we summarize the components, requirements, and desired properties of edge construction in IG units, based on a survey of the available literature. Second, we review commercially available window edge seals and describe their properties, to provide an easily accessible reference for research and commercial purposes. Finally, based on the literature survey and review of current commercial edge seal systems, we identify research opportunities for future edge seal improvements and solutions.

  16. Nucleation on a stepped surface with an Ehrlich–Schwöbel barrier

    International Nuclear Information System (INIS)

    Chromcova, Z; Chvoj, Z; Tringides, M C

    2013-01-01

    During deposition on a stepped surface the growth mode depends on the conditions such as temperature T, deposition rate F and width of the terraces w. In this work we studied the influence of all the above mentioned characteristics using the kinetic Monte Carlo (kMC) technique. We concentrated on the conditions on the terrace at the moment of the first nucleation. The critical density of monomers for nucleation η m decreases with the width of the terrace and the nucleation starts at surprisingly low densities of monomers. We tested several definitions of the critical width for nucleation w c used in various articles in the past and we compared our results with results of the analytical steady-state mean-field model (Ranguelov and Altman 2007 Phys. Rev. B 75 245419). To check how the simplified assumption about the steady-state regime during deposition influences the resulting dependence of w c ≃ (D/F) κ , we set and also solved a time-dependent analytical model. This analytical model as well as kMC predict that w c ≃ (D/F) 1/5 . kMC simulation also shows that the Ehrlich–Schwöbel barrier has only limited influence on the nucleation on the stepped surface at conditions close to the nucleation regime. For all widths of terraces there is a critical value of the Ehrlich–Schwöbel barrier, and only below this critical value does the Ehrlich–Schwöbel barrier affect the final value of the density of nuclei. The results of the kMC are summarized in a semi-empirical analytical formula which describes the dependence of the step-flow growth and nucleation on the terrace width w, diffusion coefficient D and deposition rate F. In our simulations we tested two models of the stepped surface with different thicknesses of the step, both with an Ehrlich–Schwöbel barrier on the edge of the terrace. (paper)

  17. Homogeneous crystal nucleation in polymers.

    Science.gov (United States)

    Schick, C; Androsch, R; Schmelzer, J W P

    2017-11-15

    The pathway of crystal nucleation significantly influences the structure and properties of semi-crystalline polymers. Crystal nucleation is normally heterogeneous at low supercooling, and homogeneous at high supercooling, of the polymer melt. Homogeneous nucleation in bulk polymers has been, so far, hardly accessible experimentally, and was even doubted to occur at all. This topical review summarizes experimental findings on homogeneous crystal nucleation in polymers. Recently developed fast scanning calorimetry, with cooling and heating rates up to 10 6 K s -1 , allows for detailed investigations of nucleation near and even below the glass transition temperature, including analysis of nuclei stability. As for other materials, the maximum homogeneous nucleation rate for polymers is located close to the glass transition temperature. In the experiments discussed here, it is shown that polymer nucleation is homogeneous at such temperatures. Homogeneous nucleation in polymers is discussed in the framework of the classical nucleation theory. The majority of our observations are consistent with the theory. The discrepancies may guide further research, particularly experiments to progress theoretical development. Progress in the understanding of homogeneous nucleation is much needed, since most of the modelling approaches dealing with polymer crystallization exclusively consider homogeneous nucleation. This is also the basis for advancing theoretical approaches to the much more complex phenomena governing heterogeneous nucleation.

  18. Determination of the void nucleation rate from void size distributions

    International Nuclear Information System (INIS)

    Brailsford, A.D.

    1977-01-01

    A method of estimating the void nucleation rate from one void size distribution and from observation of the maximum void radius at prior times is proposed. Implicit in the method are the assumptions that both variations in the critical radius with dose and vacancy thermal emission processes during post-nucleation quasi-steady-state growth may be neglected. (Auth.)

  19. High electron mobility through the edge states in random networks of c-axis oriented wedge-shaped GaN nanowalls grown by molecular beam epitaxy

    International Nuclear Information System (INIS)

    Bhasker, H. P.; Dhar, S.; Sain, A.; Kesaria, Manoj; Shivaprasad, S. M.

    2012-01-01

    Transport and optical properties of random networks of c-axis oriented wedge-shaped GaN nanowalls grown spontaneously on c-plane sapphire substrates through molecular beam epitaxy are investigated. Our study suggests a one dimensional confinement of carriers at the top edges of these connected nanowalls, which results in a blue shift of the band edge luminescence, a reduction of the exciton-phonon coupling, and an enhancement of the exciton binding energy. Not only that, the yellow luminescence in these samples is found to be completely suppressed even at room temperature. All these changes are highly desirable for the enhancement of the luminescence efficiency of the material. More interestingly, the electron mobility through the network is found to be significantly higher than that is typically observed for GaN epitaxial films. This dramatic improvement is attributed to the transport of electrons through the edge states formed at the top edges of the nanowalls.

  20. A unified kinetic approach to binary nucleation

    Energy Technology Data Exchange (ETDEWEB)

    Kevrekidis, P.G. [Department of Physics, Rutgers University, 136 Frelinghuysen Road]|[E.O.H.S.I., Rutgers University]|[UMDNJ, 170 Frelinghuysen Road, Piscataway, New Jersey 08854-8019 (United States); Lazaridis, M. [Norwegian Institute for Air Research (NILU), Instittutvein 18, P. O. Box 100, N-2007 Kjeller (Norway); Drossinos, Y. [European Commission, Joint Research Centre, I-21020 Ispra (Vatican City State, Holy See) (Italy); Georgopoulos, P.G. [E.O.H.S.I., Rutgers University]|[UMDNJ, 170 Frelinghuysen Road, Piscataway, New Jersey 08854 (United States)

    1999-11-01

    Two different methods to calculate the steady-state nucleation rate in heteromolecular systems proposed by Stauffer (1976) and Langer (1969) are analyzed. Their mathematical equivalence is explicitly demonstrated, thereby obtaining a generic expression for the rate of binary nucleation. Its numerical evaluation does not entail rotation of the coordinate system at the saddle point, but it only requires data in the natural coordinate system of number fluctuations, namely molecular impingement rates, the droplet free energy and its second order derivatives at the saddle point, and the total density of condensible vapors. {copyright} {ital 1999 American Institute of Physics.}

  1. Nucleation of voids in materials supersaturated with mobile interstitials, vacancies and divacancies

    International Nuclear Information System (INIS)

    Wolfer, W.G.; Si-Ahmed, A.

    1982-01-01

    In previous void nucleation theories, the void size has been allowed to change only by one atomic volume through vacancy or interstitial absorption or through vacancy emission. To include the absorption of divacancies, the classical nucleation theory is here extended to include double-step transitions between clusters. The new nucleation theory is applied to study the effect of divacancies on void formation. It is found that the steady-state void nucleation rate is enhanced by several orders of magnitude as compared to results with previous void nucleation theories. However, to obtain void nucleation rates comparable to measured ones, the effect of impurities, segregation and insoluble gases must still be invoked. (author)

  2. Overview: Nucleation of clathrate hydrates.

    Science.gov (United States)

    Warrier, Pramod; Khan, M Naveed; Srivastava, Vishal; Maupin, C Mark; Koh, Carolyn A

    2016-12-07

    Molecular level knowledge of nucleation and growth of clathrate hydrates is of importance for advancing fundamental understanding on the nature of water and hydrophobic hydrate formers, and their interactions that result in the formation of ice-like solids at temperatures higher than the ice-point. The stochastic nature and the inability to probe the small length and time scales associated with the nucleation process make it very difficult to experimentally determine the molecular level changes that lead to the nucleation event. Conversely, for this reason, there have been increasing efforts to obtain this information using molecular simulations. Accurate knowledge of how and when hydrate structures nucleate will be tremendously beneficial for the development of sustainable hydrate management strategies in oil and gas flowlines, as well as for their application in energy storage and recovery, gas separation, carbon sequestration, seawater desalination, and refrigeration. This article reviews various aspects of hydrate nucleation. First, properties of supercooled water and ice nucleation are reviewed briefly due to their apparent similarity to hydrates. Hydrate nucleation is then reviewed starting from macroscopic observations as obtained from experiments in laboratories and operations in industries, followed by various hydrate nucleation hypotheses and hydrate nucleation driving force calculations based on the classical nucleation theory. Finally, molecular simulations on hydrate nucleation are discussed in detail followed by potential future research directions.

  3. Overview: Nucleation of clathrate hydrates

    Science.gov (United States)

    Warrier, Pramod; Khan, M. Naveed; Srivastava, Vishal; Maupin, C. Mark; Koh, Carolyn A.

    2016-12-01

    Molecular level knowledge of nucleation and growth of clathrate hydrates is of importance for advancing fundamental understanding on the nature of water and hydrophobic hydrate formers, and their interactions that result in the formation of ice-like solids at temperatures higher than the ice-point. The stochastic nature and the inability to probe the small length and time scales associated with the nucleation process make it very difficult to experimentally determine the molecular level changes that lead to the nucleation event. Conversely, for this reason, there have been increasing efforts to obtain this information using molecular simulations. Accurate knowledge of how and when hydrate structures nucleate will be tremendously beneficial for the development of sustainable hydrate management strategies in oil and gas flowlines, as well as for their application in energy storage and recovery, gas separation, carbon sequestration, seawater desalination, and refrigeration. This article reviews various aspects of hydrate nucleation. First, properties of supercooled water and ice nucleation are reviewed briefly due to their apparent similarity to hydrates. Hydrate nucleation is then reviewed starting from macroscopic observations as obtained from experiments in laboratories and operations in industries, followed by various hydrate nucleation hypotheses and hydrate nucleation driving force calculations based on the classical nucleation theory. Finally, molecular simulations on hydrate nucleation are discussed in detail followed by potential future research directions.

  4. Heterogeneous ice nucleation

    Energy Technology Data Exchange (ETDEWEB)

    Bogdan, A. [Helsinki Univ. (Finland). Dept. of Physics

    1994-12-31

    The classical theory of heterogenous ice nucleation is reviewed in detail. The modelling of ice nucleation in the adsorbed water films on natural particles by analogous ice nucleation in adsorbed water films on the walls of porous media is discussed. Ice nucleation in adsorbed films of purewater and the HNO{sub 3}/H{sub 2}0 binary system on the surface of porous aerosol (SiO{sub 2}) was investigated using the method of NMR spectroscopy. The median freezing temperature and freezing temperature region were shown to be highly sensitive both to the average thickness of the adsorbed films and to the amount of adsorbed nitric acid. The character of the ice phase formation tends to approach that of bulk liquid with increasing adsorbed film thickness. Under the given conditions the thickness of the adsorbed films decreases with an increasing amount of adsorbed nitric acid molecules The molar concentration of nitric acid in the adsorbed films is very small (of the order of 10{sup -}3 10{sup -}2 (M/l)). Nitric acid molecules tend to adsorb on the surface of aerosol to a greater extent than in subsequent layers. The concentration is greatest in layers situated close to the surface and sharply decreases with the distance from the surface. The difference between the median freezing temperatures for adsorbed pure water and for the binary system was found to be about 9 K for films of equal thickness. This is about 150 times greater than the difference between the median freezing temperatures of bulk pure water and a solution with the same concentration of nitric acid. (orig.)

  5. Nucleation in Synoptically Forced Cirrostratus

    Science.gov (United States)

    Lin, R.-F.; Starr, D. OC.; Reichardt, J.; DeMott, P. J.

    2004-01-01

    Formation and evolution of cirrostratus in response to weak, uniform and constant synoptic forcing is simulated using a one-dimensional numerical model with explicit microphysics, in which the particle size distribution in each grid box is fully resolved. A series of tests of the model response to nucleation modes (homogeneous-freezing-only/heterogeneous nucleation) and heterogeneous nucleation parameters are performed. In the case studied here, nucleation is first activated in the prescribed moist layer. A continuous cloud-top nucleation zone with a depth depending on the vertical humidity gradient and one of the nucleation parameters is developed afterward. For the heterogeneous nucleation cases, intermittent nucleation zones in the mid-upper portion of the cloud form where the relative humidity is on the rise, because existent ice crystals do not uptake excess water vapor efficiently, and ice nuclei (IN) are available. Vertical resolution as fine as 1 m is required for realistic simulation of the homogeneous-freezing-only scenario, while the model resolution requirement is more relaxed in the cases where heterogeneous nucleation dominates. Bulk microphysical and optical properties are evaluated and compared. Ice particle number flux divergence, which is due to the vertical gradient of the gravity-induced particle sedimentation, is constantly and rapidly changing the local ice number concentration, even in the nucleation zone. When the depth of the nucleation zone is shallow, particle number concentration decreases rapidly as ice particles grow and sediment away from the nucleation zone. When the depth of the nucleation zone is large, a region of high ice number concentration can be sustained. The depth of nucleation zone is an important parameter to be considered in parametric treatments of ice cloud generation.

  6. On the Ice Nucleation Spectrum

    Science.gov (United States)

    Barahona, D.

    2012-01-01

    This work presents a novel formulation of the ice nucleation spectrum, i.e. the function relating the ice crystal concentration to cloud formation conditions and aerosol properties. The new formulation is physically-based and explicitly accounts for the dependency of the ice crystal concentration on temperature, supersaturation, cooling rate, and particle size, surface area and composition. This is achieved by introducing the concepts of ice nucleation coefficient (the number of ice germs present in a particle) and nucleation probability dispersion function (the distribution of ice nucleation coefficients within the aerosol population). The new formulation is used to generate ice nucleation parameterizations for the homogeneous freezing of cloud droplets and the heterogeneous deposition ice nucleation on dust and soot ice nuclei. For homogeneous freezing, it was found that by increasing the dispersion in the droplet volume distribution the fraction of supercooled droplets in the population increases. For heterogeneous ice nucleation the new formulation consistently describes singular and stochastic behavior within a single framework. Using a fundamentally stochastic approach, both cooling rate independence and constancy of the ice nucleation fraction over time, features typically associated with singular behavior, were reproduced. Analysis of the temporal dependency of the ice nucleation spectrum suggested that experimental methods that measure the ice nucleation fraction over few seconds would tend to underestimate the ice nuclei concentration. It is shown that inferring the aerosol heterogeneous ice nucleation properties from measurements of the onset supersaturation and temperature may carry significant error as the variability in ice nucleation properties within the aerosol population is not accounted for. This work provides a simple and rigorous ice nucleation framework where theoretical predictions, laboratory measurements and field campaign data can be

  7. Binary nucleation kinetics. III. Transient behavior and time lags

    International Nuclear Information System (INIS)

    Wyslouzil, B.E.; Wilemski, G.

    1996-01-01

    Transient binary nucleation is more complex than unary because of the bidimensionality of the cluster formation kinetics. To investigate this problem qualitatively and quantitatively, we numerically solved the birth-death equations for vapor-to-liquid phase transitions. Our previous work showed that the customary saddle point and growth path approximations are almost always valid in steady state gas phase nucleation and only fail if the nucleated solution phase is significantly nonideal. Now, we demonstrate that in its early transient stages, binary nucleation rarely, if ever, occurs via the saddle point. This affects not only the number of particles forming but their composition and may be important for nucleation in glasses and other condensed mixtures for which time scales are very long. Before reaching the state of saddle point nucleation, most binary systems pass through a temporary stage in which the region of maximum flux extends over a ridge on the free energy surface. When ridge crossing nucleation is the steady state solution, it thus arises quite naturally as an arrested intermediate state that normally occurs in the development of saddle point nucleation. While the time dependent and steady state distributions of the fluxes and concentrations for each binary system are strongly influenced by the gas composition and species impingement rates, the ratio of nonequilibrium to equilibrium concentrations has a quasiuniversal behavior that is determined primarily by the thermodynamic properties of the liquid mixture. To test our quantitive results of the transient behavior, we directly calculated the time lag for the saddle point flux and compared it with the available analytical predictions. Although the analytical results overestimate the time lag by factors of 1.2-5, they should be adequate for purposes of planning experiments. We also found that the behavior of the saddle point time lag can indicate when steady state ridge crossing nucleation will occur

  8. Electronic states and optical properties of single donor in GaN conical quantum dot with spherical edge

    Science.gov (United States)

    El Aouami, A.; Feddi, E.; El-Yadri, M.; Aghoutane, N.; Dujardin, F.; Duque, C. A.; Phuc, Huynh Vinh

    2018-02-01

    In this paper we present a theoretical investigation of quantum confinement effects on the electron and single donor states in GaN conical quantum dot with spherical edge. In the framework of the effective mass approximation, the Schrödinger equations of electron and donor have been solved analytically in an infinite potential barrier model. Our calculations show that the energies of electron and donor impurity are affected by the two characteristic parameters of the structure which are the angle Ω and the radial dimension R. We show that, despite the fact that the reduction of the two parameters Ω and R leads to the same confinement effects, the energy remains very sensitive to the variation of the radial part than the variation of the angular part. The analysis of the photoionization cross-section corresponding to optical transitions between the conduction band and the first donor energy level shows clearly that the reduction of the radius R causes a shift in resonance peaks towards the high energies. On the other hand, the optical transitions between 1 s - 1 p , 1 p - 1 d and 1 p - 2 s show that the increment of the conical aperture Ω (or reduction of R) implies a displacement of the excitation energy to higher energies.

  9. Restricted active space calculations of L-edge X-ray absorption spectra: from molecular orbitals to multiplet states.

    Science.gov (United States)

    Pinjari, Rahul V; Delcey, Mickaël G; Guo, Meiyuan; Odelius, Michael; Lundberg, Marcus

    2014-09-28

    The metal L-edge (2p → 3d) X-ray absorption spectra are affected by a number of different interactions: electron-electron repulsion, spin-orbit coupling, and charge transfer between metal and ligands, which makes the simulation of spectra challenging. The core restricted active space (RAS) method is an accurate and flexible approach that can be used to calculate X-ray spectra of a wide range of medium-sized systems without any symmetry constraints. Here, the applicability of the method is tested in detail by simulating three ferric (3d(5)) model systems with well-known electronic structure, viz., atomic Fe(3+), high-spin [FeCl6](3-) with ligand donor bonding, and low-spin [Fe(CN)6](3-) that also has metal backbonding. For these systems, the performance of the core RAS method, which does not require any system-dependent parameters, is comparable to that of the commonly used semi-empirical charge-transfer multiplet model. It handles orbitally degenerate ground states, accurately describes metal-ligand interactions, and includes both single and multiple excitations. The results are sensitive to the choice of orbitals in the active space and this sensitivity can be used to assign spectral features. A method has also been developed to analyze the calculated X-ray spectra using a chemically intuitive molecular orbital picture.

  10. Nucleation phenomena at Suzuki phases

    International Nuclear Information System (INIS)

    Acosta-Najarro, D.; Jose Y, M.

    1982-01-01

    Crystal of NaCl doped with Mn present regions with an increase in nucleation densities when observed by surface gold decoration; this increase is related to the nucleation of the Suzuki phases which are induced by cooling of the crystal matrix. Calculations based on atomistic nucleation theory are developed to explain the increased nucleation density. Experiments were made to compare with the theoretical results. In particular the density of nuclei was measured as a function of the rate or arrival of atoms to the surface. Therefore, the changes in the nucleation densities are explained in terms of change in migration energies between the Suzuki phase and the NaCl matrix excluding the possibility of nucleation induced by point defects. (author)

  11. High-transmission excited-state Faraday anomalous dispersion optical filter edge filter based on a Halbach cylinder magnetic-field configuration.

    Science.gov (United States)

    Rudolf, Andreas; Walther, Thomas

    2012-11-01

    We report on the realization of an excited-state Faraday anomalous dispersion optical filter (ESFADOF) edge filter based on the 5P(3/2)→8D(5/2) transition in rubidium. A maximum transmission of 81% has been achieved. This high transmission is only possible by utilizing a special configuration of magnetic fields taken from accelerator physics to provide a strong homogeneous magnetic field of approximately 6000 G across the vapor cell. The two resulting steep transmission edges are separated by more than 13 GHz, enabling its application in remote sensing.

  12. Synaptic Bistability Due to Nucleation and Evaporation of Receptor Clusters

    KAUST Repository

    Burlakov, V. M.; Emptage, N.; Goriely, A.; Bressloff, P. C.

    2012-01-01

    interacting receptors and is stabilized against clustering by a high nucleation barrier. The other state contains a receptor gas in equilibrium with a large cluster of immobile receptors, which is stabilized by the turnover rate of receptors into and out

  13. Nucleation of voids and other irradiation-produced defect aggregates

    International Nuclear Information System (INIS)

    Wiedersich, H.; Katz, J.L.

    1976-01-01

    The nucleation of defect clusters in crystalline solids from radiation-produced defects is different from the usual nucleation processes in one important aspect: the condensing defects, interstitial atoms and vacancies, can mutually annihilate and are thus similar to matter and antimatter. The nucleation process is described as the simultaneous reaction of vacancies and interstitials (and gas atoms if present) with embryos of all sizes. The reaction rates for acquisition of point defects (and gas atoms) are calculated from their respective jump frequencies and concentrations in the supersaturated system. The reaction rates for emission of point defects are derived from the free energies of the defect clusters in the thermodynamic equilibrium system, i.e., the system without excess point defects. This procedure differs from that used in conventional nucleation theory and permits the inclusion of the ''antimatter'' defect into the set of reaction-rate equations in a straightforward manner. The method is applied to steady-state nucleation, during irradiation, of both dislocation loops and voids in the absence and in the presence of immobile and mobile gas. The predictions of the nucleation theory are shown to be in qualitative agreement with experimental observations, e.g., void densities increase with increasing displacement rates; gases such as helium enhance void nucleation; at low displacement rates and at high temperatures the presence of gas is essential to void formation. For quantitative predictions, the theory must be extended to include the termination of nucleation

  14. Nucleation of superconductivity under rapid cycling of an electric field

    International Nuclear Information System (INIS)

    Bandyopadhyay, Malay

    2008-01-01

    The effect of an externally applied high-frequency oscillating electric field on the critical nucleation field of superconductivity in the bulk as well as at the surface of a superconductor is investigated in detail in this work. Starting from the linearized time-dependent Ginzburg-Landau (TDLG) theory, and using the variational principle, I have shown the analogy between a quantum harmonic oscillator with that of the nucleation of superconductivity in the bulk and a quantum double oscillator with that of the nucleation at the surface of a finite sample. The effective Hamiltonian approach of Cook et al (1985 Phys. Rev. A 31 564) is employed to incorporate the effect of an externally applied highly oscillating electric field. The critical nucleation field ratio is also calculated from the ground state energy method. The results obtained from these two approximate theories agree very well with the exact results for the case of an undriven system, which establishes the validity of these two approximate theories. It is observed that the highly oscillating electric field actually increases the bulk critical nucleation field (H c 2 ) as well as the surface critical nucleation field (H c 3 ) of superconductivity as compared to the case of absent electric field (ε 0 = 0). But the externally applied rapidly oscillating electric field accentuates the surface critical nucleation field more than the bulk critical nucleation field, i.e. the increase of H c 3 is 1.6592 times larger than that of H c 2

  15. EnviroAtlas - MSPA connectivity with water as missing and 1-pixel edge width for the conterminous United States

    Data.gov (United States)

    U.S. Environmental Protection Agency — This EnviroAtlas dataset categorizes land cover into structural elements (e.g. core, edge, connector, etc.). It depicts core areas of natural land cover, core...

  16. EnviroAtlas - MSPA connectivity with water as background and 1-pixel edge width for the conterminous United States

    Data.gov (United States)

    U.S. Environmental Protection Agency — This EnviroAtlas dataset categorizes land cover into structural elements (e.g. core, edge, connector, etc.). It depicts core areas of natural land cover, core...

  17. EnviroAtlas - MSPA connectivity with water as background and 3-pixel edge width for the conterminous United States

    Data.gov (United States)

    U.S. Environmental Protection Agency — This EnviroAtlas dataset categorizes land cover into structural elements (e.g. core, edge, connector, etc.). It depicts core areas of natural land cover, core...

  18. EnviroAtlas - MSPA connectivity with water as foreground and 3-pixel edge width for the conterminous United States

    Data.gov (United States)

    U.S. Environmental Protection Agency — This EnviroAtlas dataset categorizes land cover into structural elements (e.g. core, edge, connector, etc.). It depicts core areas of natural land cover, core...

  19. EXAFS analysis of the L3 edge of Ce in CeO2: effects of multielectron excitations and final-state mixed valence

    International Nuclear Information System (INIS)

    Fonda, E.; Andreatta, D.; Colavita, P.E.; Vlaic, G.

    1999-01-01

    Cerium oxide (IV) (CeO 2 ) is extensively employed in heterogeneous catalysis, particularly as a promoter of noble metal action in three-way catalysts. For this reason there is a great scientific and economical interest in the development of any possible chemical or structural analysis technique that could provide information on these systems. EXAFS spectroscopy has revealed itself as a powerful technique for structural characterization of such catalysts. Unfortunately, good quality K-edge spectra of cerium are not yet easily obtainable because of the high photon energy required (>40 keV). On the other hand, at lower energies it is easy to collect very good spectra of the L 3 edge (5.5 keV), but L 3 -edge spectra of cerium (IV) are characterized by the presence of two undesired additional phenomena that interfere with EXAFS analysis: final-state mixed-valence behaviour and intense multi-electron excitations. Here, a comparative analysis of the K, L 3 , L 2 and L 1 edges of Ce in CeO 2 has been made and a procedure for obtaining structural parameters from L 3 -edge EXAFS, even in the presence of these features, has been developed. This procedure could allow further studies of catalytic compounds containing tetravalent cerium surrounded by oxygen ligands. (au)

  20. Nucleate boiling heat transfer

    Energy Technology Data Exchange (ETDEWEB)

    Saiz Jabardo, J.M. [Universidade da Coruna (Spain). Escola Politecnica Superior], e-mail: mjabardo@cdf.udc.es

    2009-07-01

    Nucleate boiling heat transfer has been intensely studied during the last 70 years. However boiling remains a science to be understood and equated. In other words, using the definition given by Boulding, it is an 'insecure science'. It would be pretentious of the part of the author to explore all the nuances that the title of the paper suggests in a single conference paper. Instead the paper will focus on one interesting aspect such as the effect of the surface microstructure on nucleate boiling heat transfer. A summary of a chronological literature survey is done followed by an analysis of the results of an experimental investigation of boiling on tubes of different materials and surface roughness. The effect of the surface roughness is performed through data from the boiling of refrigerants R-134a and R-123, medium and low pressure refrigerants, respectively. In order to investigate the extent to which the surface roughness affects boiling heat transfer, very rough surfaces (4.6 {mu}m and 10.5 {mu}m ) have been tested. Though most of the data confirm previous literature trends, the very rough surfaces present a peculiar behaviour with respect to that of the smoother surfaces (Ra<3.0 {mu}m). (author)

  1. Nucleate boiling heat transfer

    International Nuclear Information System (INIS)

    Saiz Jabardo, J.M.

    2009-01-01

    Nucleate boiling heat transfer has been intensely studied during the last 70 years. However boiling remains a science to be understood and equated. In other words, using the definition given by Boulding, it is an 'insecure science'. It would be pretentious of the part of the author to explore all the nuances that the title of the paper suggests in a single conference paper. Instead the paper will focus on one interesting aspect such as the effect of the surface microstructure on nucleate boiling heat transfer. A summary of a chronological literature survey is done followed by an analysis of the results of an experimental investigation of boiling on tubes of different materials and surface roughness. The effect of the surface roughness is performed through data from the boiling of refrigerants R-134a and R-123, medium and low pressure refrigerants, respectively. In order to investigate the extent to which the surface roughness affects boiling heat transfer, very rough surfaces (4.6 μm and 10.5 μm ) have been tested. Though most of the data confirm previous literature trends, the very rough surfaces present a peculiar behaviour with respect to that of the smoother surfaces (Ra<3.0 μm). (author)

  2. Edge effects in composites

    International Nuclear Information System (INIS)

    Guz, A.N.; Kokhanenko, Yu.V.

    1995-01-01

    In the present article we survey papers on edge effects investigated by the rigorous approach. We interpret edge effects as stressed states created in a composite as a result of zones in which the stresses exhibit a rapidly changing behavior in comparison with the slow variation of the stresses outside such zones. Here the range of the edge effect is defined as the distance from the point of its inception to the boundary of the edge zone in a given direction. The transition of the stresses to the slowly varying state is determined within prescribed error limits. The size and configuration of the edge zone depends on the tolerated error. Clearly, the main difficulty associated with the rigorous approach is finding solutions of the elasticity problems. The finite-difference approach is suggested for the approximate solution of these problems. In light of the comparative time consumption of the finite-difference approach, it is best directed at certain classes of problems rather than at particular individual problems. Not too many papers on the investigation of edge effects by the rigorous approach have been published to date. Below, following in their footsteps, we formulate edge effect problems in composites, determine classes of problems, and investigate edge effects in composite materials and structural elements using them in Cartesian (planar and three-dimensional problems) and cylindrical (axisymmetric problems) coordinate frames. We note that the division of approaches to the study of edge effects into qualitative (nonrigorous) and quantitative (rigorous) reflects the authors own point of view. Of course, other schemes of classification of the approaches to the investigation of the regions of rapidly varying states in composites are possible

  3. Edge Matters

    DEFF Research Database (Denmark)

    Earon, Ofri

    2013-01-01

    of this container is to separate inside from outside and to protect and provide privacy, psychological as well as physical (Venturi, 1966). But, if dwelling phenomenon takes place both inside and outside the private house – why is the urban house an enclosed box? What is the differentiation between inside...... and outside the contemporary urban house? And what is the interplay between them? The research argues for re-thinking the edge zone between inside and outside the urban house. Therefore, although, residential buildings in the city are the objects of study, the focal point here is the edge zone along...... the building. The research explores and develops the architectural characteristics of correlations between the resident, the singular unit, the building and the given location at the edge zone. It approaches the edge zone of the urban house as a platform for dynamic interactions between these behaviours...

  4. Homogeneous versus heterogeneous zeolite nucleation

    NARCIS (Netherlands)

    Dokter, W.H.; Garderen, van H.F.; Beelen, T.P.M.; Santen, van R.A.; Bras, W.

    1995-01-01

    Aggregates of fractal dimension were found in the intermediate gel phases that organize prior to nucleation and crystallization (shown right) of silicalite from a homogeneous reaction mixture. Small- and wide-angle X-ray scattering studies prove that for zeolites nucleation may be homogeneous or

  5. On Capillary Rise and Nucleation

    Science.gov (United States)

    Prasad, R.

    2008-01-01

    A comparison of capillary rise and nucleation is presented. It is shown that both phenomena result from a balance between two competing energy factors: a volume energy and a surface energy. Such a comparison may help to introduce nucleation with a topic familiar to the students, capillary rise. (Contains 1 table and 3 figures.)

  6. Theory and Simulation of Nucleation

    NARCIS (Netherlands)

    Kuipers, J.|info:eu-repo/dai/nl/304832049

    2009-01-01

    Nucleation is the process where a stable nucleus spontaneously emerges in a metastable environment. Examples of nucleation abound, for instance the formation of droplets in undercooled gasses and of crystals in undercooled liquids. The process is thermally activated and is key to understanding

  7. Systematic coarse-graining in nucleation theory

    Science.gov (United States)

    Schweizer, M.; Sagis, L. M. C.

    2015-08-01

    In this work, we show that the standard method to obtain nucleation rate-predictions with the aid of atomistic Monte Carlo simulations leads to nucleation rate predictions that deviate 3 - 5 orders of magnitude from the recent brute-force molecular dynamics simulations [Diemand et al., J. Chem. Phys. 139, 074309 (2013)] conducted in the experimental accessible supersaturation regime for Lennard-Jones argon. We argue that this is due to the truncated state space the literature mostly relies on, where the number of atoms in a nucleus is considered the only relevant order parameter. We here formulate the nonequilibrium statistical mechanics of nucleation in an extended state space, where the internal energy and momentum of the nuclei are additionally incorporated. We show that the extended model explains the lack in agreement between the molecular dynamics simulations by Diemand et al. and the truncated state space. We demonstrate additional benefits of using the extended state space; in particular, the definition of a nucleus temperature arises very naturally and can be shown without further approximation to obey the fluctuation law of McGraw and LaViolette. In addition, we illustrate that our theory conveniently allows to extend existing theories to richer sets of order parameters.

  8. A dynamical theory of nucleation

    Science.gov (United States)

    Lutsko, James F.

    2013-05-01

    A dynamical theory of nucleation based on fluctuating hydrodynamics is described. It is developed in detail for the case of diffusion-limited nucleation appropriate to colloids and macro-molecules in solution. By incorporating fluctuations, realistic fluid-transport and realistic free energy models the theory is able to give a unified treatment of both the pre-critical development of fluctuations leading to a critical cluster as well as of post-critical growth. Standard results from classical nucleation theory are shown to follow in the weak noise limit while the generality of the theory allows for many extensions including the description of very high supersaturations (small clusters), multiple order parameters and strong-noise effects to name a few. The theory is applied to homogeneous and heterogeneous nucleation of a model globular protein in a confined volume and it is found that nucleation depends critically on the existence of long-wavelength, small-amplitude density fluctuations.

  9. Nucleation of Recrystallization studied by EBSP and 3DXRD

    DEFF Research Database (Denmark)

    West, Stine

    2009-01-01

    When a deformed crystalline material is annealed, recrystallization will typically take place. In this process new perfect crystals nucleate and grow, consuming the deformation structure. Traditionally, nucleation theories state that the crystal orientations of these new grains were already present...... in the deformed state, but several experiments have shown the emergence of what appears to be new orientations. The purpose of the present project was to observe nucleation of recrystallization both on surfaces and in the bulk. Special focus was on the possible formation of nuclei with orientations not present...... in the deformed matrix before annealing. To facilitate the nucleation studies, a well-annealed starting material was prepared from high-purity aluminum with a large average grain size and almost straight grain boundaries mostly forming triple junctions with angles close to 120°. The large grain size was necessary...

  10. Mn K-edge XANES spectroscopy of photosynthetic water oxidation enzyme in the S0-, S1-, S2- and S3-states induced by flash excitation

    International Nuclear Information System (INIS)

    Ono, Taka-aki; Noguchi, Takumi; Inoue, Yorinao; Kusunoki, Masami; Matsushita, Tadashi; Oyanagi, Hiroyuki.

    1993-01-01

    Electronic and structural rearrangement of the Mn-cluster during the four step oxidation of water in photosynthetic oxygen evolution was studied by XANES spectroscopy. The Mn K-edge energy of the spectrum was changed with flash number to show a clear quadruple oscillation, indicating a periodic change in oxidation and electronic state of the Mn-cluster depending on Joliot and Kok's oxygen clock. (author)

  11. Identification of the iron oxidation state and coordination geometry in iron oxide- and zeolite-based catalysts using pre-edge XAS analysis.

    Science.gov (United States)

    Boubnov, Alexey; Lichtenberg, Henning; Mangold, Stefan; Grunwaldt, Jan Dierk

    2015-03-01

    Analysis of the oxidation state and coordination geometry using pre-edge analysis is attractive for heterogeneous catalysis and materials science, especially for in situ and time-resolved studies or highly diluted systems. In the present study, focus is laid on iron-based catalysts. First a systematic investigation of the pre-edge region of the Fe K-edge using staurolite, FePO4, FeO and α-Fe2O3 as reference compounds for tetrahedral Fe(2+), tetrahedral Fe(3+), octahedral Fe(2+) and octahedral Fe(3+), respectively, is reported. In particular, high-resolution and conventional X-ray absorption spectra are compared, considering that in heterogeneous catalysis and material science a compromise between high-quality spectroscopic data acquisition and simultaneous analysis of functional properties is required. Results, which were obtained from reference spectra acquired with different resolution and quality, demonstrate that this analysis is also applicable to conventionally recorded pre-edge data. For this purpose, subtraction of the edge onset is preferentially carried out using an arctangent and a first-degree polynomial, independent of the resolution and quality of the data. For both standard and high-resolution data, multiplet analysis of pre-edge features has limitations due to weak transitions that cannot be identified. On the other hand, an arbitrary empirical peak fitting assists the analysis in that non-local transitions can be isolated. The analysis of the oxidation state and coordination geometry of the Fe sites using a variogram-based method is shown to be effective for standard-resolution data and leads to the same results as for high-resolution spectra. This method, validated by analysing spectra of reference compounds and their well defined mixtures, is finally applied to track structural changes in a 1% Fe/Al2O3 and a 0.5% Fe/BEA zeolite catalyst during reduction in 5% H2/He. The results, hardly accessible by other techniques, show that Fe(3+) is

  12. Physical characterization of diesel exhaust nucleation mode particles

    Energy Technology Data Exchange (ETDEWEB)

    Lahde, T.

    2013-11-01

    An increasing concern of the adverse health effects of aerosol particles is forcing the combustion engine industry to develop engines with lower particle emissions. The industry has put most of their efforts into soot control and has achieved a significant reduction in diesel exhaust particle mass. Nevertheless, it is not clear that the large particles, dominating the mass, cause the harmfulness of the exhaust particles in the biological interaction. Nowadays, the harmful potential of diesel exhaust particles often connects with the particle surface area, and the view has turned to particle number below 100 nm size range. Unfortunately, the achieved low exhaust particle mass does not necessarily imply a low particle number. This text focuses on the physical characteristics of diesel exhaust nucleation model particles. The volatility characteristics and the electrical charge state of the particles are studied first. Second, the relation between the nonvolatile nucleation mode emissions and the soot, the nitrogen oxide (NO{sub x}) emissions and the engine parameters are covered. The nucleation mode particles had distinctively different physical characteristics with different after-treatment systems. The nucleation mode was volatile and electrically neutral with a diesel particle filter after-treatment system. Without an after-treatment system or with an after-treatment system with low particle removal efficiency, the nucleation mode was partly nonvolatile and included an electrical charge. The difference suggests different formation routes for the nucleation particles with different after-treatment systems. The existence of the nonvolatile nucleation mode particles also affected the soot mode charge state. The soot charge state was positively biased when the nonvolatile nucleation mode was detected but slightly negatively biased when the nonvolatile nucleation mode was absent. The nonvolatile nucleation mode was always negatively biased. This electrical charge

  13. Protein crystal nucleation in pores.

    Science.gov (United States)

    Nanev, Christo N; Saridakis, Emmanuel; Chayen, Naomi E

    2017-01-16

    The most powerful method for protein structure determination is X-ray crystallography which relies on the availability of high quality crystals. Obtaining protein crystals is a major bottleneck, and inducing their nucleation is of crucial importance in this field. An effective method to form crystals is to introduce nucleation-inducing heterologous materials into the crystallization solution. Porous materials are exceptionally effective at inducing nucleation. It is shown here that a combined diffusion-adsorption effect can increase protein concentration inside pores, which enables crystal nucleation even under conditions where heterogeneous nucleation on flat surfaces is absent. Provided the pore is sufficiently narrow, protein molecules approach its walls and adsorb more frequently than they can escape. The decrease in the nucleation energy barrier is calculated, exhibiting its quantitative dependence on the confinement space and the energy of interaction with the pore walls. These results provide a detailed explanation of the effectiveness of porous materials for nucleation of protein crystals, and will be useful for optimal design of such materials.

  14. Crystallographic study of grain refinement in aluminum alloys using the edge-to-edge matching model

    International Nuclear Information System (INIS)

    Zhang, M.-X.; Kelly, P.M.; Easton, M.A.; Taylor, J.A.

    2005-01-01

    The edge-to-edge matching model for describing the interfacial crystallographic characteristics between two phases that are related by reproducible orientation relationships has been applied to the typical grain refiners in aluminum alloys. Excellent atomic matching between Al 3 Ti nucleating substrates, known to be effective nucleation sites for primary Al, and the Al matrix in both close packed directions and close packed planes containing these directions have been identified. The crystallographic features of the grain refiner and the Al matrix are very consistent with the edge-to-edge matching model. For three other typical grain refiners for Al alloys, TiC (when a = 0.4328 nm), TiB 2 and AlB 2 , the matching only occurs between the close packed directions in both phases and between the second close packed plane of the Al matrix and the second close packed plane of the refiners. According to the model, it is predicted that Al 3 Ti is a more powerful nucleating substrate for Al alloy than TiC, TiB 2 and AlB 2 . This agrees with the previous experimental results. The present work shows that the edge-to-edge matching model has the potential to be a powerful tool in discovering new and more powerful grain refiners for Al alloys

  15. Superheating in nucleate boiling calculated by the heterogeneous nucleation theory

    International Nuclear Information System (INIS)

    Gerum, E.; Straub, J.; Grigull, U.

    1979-01-01

    With the heterogeneous nucleation theory the superheating of the liquid boundary layer in nucleate boiling is described not only for the onset of nuclear boiling but also for the boiling crisis. The rate of superheat depends on the thermodynamic stability of the metastable liquid, which is influenced by the statistical fluctuations in the liquid and the nucleation at the solid surface. Because of the fact that the cavities acting as nuclei are too small for microscopic observation, the size and distribution function of the nuclei on the surface necessary for the determination of the probability of bubble formation cannot be detected by measuring techniques. The work of bubble formation reduced by the nuclei can be represented by a simple empirical function whose coefficients are determined from boiling experiments. Using this the heterogeneous nucleation theory describes the superheating of the liquid. Several fluids including refrigerants, liquid gases, organic liquids and water were used to check the theory. (author)

  16. Review: The nucleation of disorder

    International Nuclear Information System (INIS)

    Cahn, R.W.; Johnson, W.L.

    1986-01-01

    Four types of phase transformation that involve the conversion of crystalline phases into more disordered forms are reviewed: melting, disordering of superlattices, amorphization by diffusion between crystalline phases, and irradation amorphization. In the review emphasis is placed on evidence for the heterogeneous nucleation of the product phases; in this connection, the role of surfaces, antiphase domain boundaries, dislocations, vacancies, and grain boundaries is specifically discussed. All of these features have been either observed, or hypothesized, to play a role as heterogeneous nucleation sites in one or more of the four transformations. An attempt is made to draw parallels between nucleation mechanisms in the various processes

  17. Edge instabilities of topological superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Hofmann, Johannes S. [Institut fuer Theoretische Physik und Astrophysik, Universitaet Wuerzburg (Germany); Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany); Assaad, Fakher F. [Institut fuer Theoretische Physik und Astrophysik, Universitaet Wuerzburg (Germany); Schnyder, Andreas P. [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany)

    2016-07-01

    Nodal topological superconductors display zero-energy Majorana flat bands at generic edges. The flatness of these edge bands, which is protected by time-reversal and translation symmetry, gives rise to an extensive ground state degeneracy and a diverging density of states. Therefore, even arbitrarily weak interactions lead to an instability of the flat-band edge states towards time-reversal and translation-symmetry broken phases, which lift the ground-state degeneracy. Here, we employ Monte Carlo simulations combined with mean-field considerations to examine the instabilities of the flat-band edge states of d{sub xy}-wave superconductors. We find that attractive interactions induce a complex s-wave pairing instability together with a density wave instability. Repulsive interactions, on the other hand, lead to ferromagnetism mixed with spin-triplet pairing at the edge. We discuss the implications of our findings for experiments on cuprate high-temperature superconductors.

  18. Gas hydrate nucleation

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-12-31

    The overall aim of the project was to gain more knowledge about the kinetics of gas hydrate formation especially the early growth phase. Knowledge of kinetics of gas hydrate formation is important and measurements of gas hydrate particle size and concentration can contribute to improve this knowledge. An experimental setup for carrying out experimental studies of the nucleation and growth of gas hydrates has been constructed and tested. Multi wavelength extinction (MWE) was the experimental technique selected for obtaining particle diameter and concentration. The principle behind MWE is described as well as turbidity spectrum analysis that in an initial stage of the project was considered as an alternative experimental technique. Details of the experimental setup and its operation are outlined. The measuring cell consists of a 1 litre horizontal tube sustaining pressures up to 200 bar. Laser light for particle size determination can be applied through sapphire windows. A description of the various auxiliary equipment and of another gas hydrate cell used in the study are given. A computer program for simulation and analysis of gas hydrate experiments is based on the gas hydrate kinetics model proposed by Skovborg and Rasmussen (1993). Initial measurements showed that knowledge of the refractive index of gas hydrates was important in order to use MWE. An experimental determination of the refractive index of methane and natural gas hydrate is described. The test experiments performed with MWE on collectives of gas hydrate particles and experiments with ethane, methane and natural gas hydrate are discussed. Gas hydrate particles initially seem to grow mainly in size and at latter stages in number. (EG) EFP-94; 41 refs.

  19. Gas hydrate nucleation

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-12-31

    The overall aim of the project was to gain more knowledge about the kinetics of gas hydrate formation especially the early growth phase. Knowledge of kinetics of gas hydrate formation is important and measurements of gas hydrate particle size and concentration can contribute to improve this knowledge. An experimental setup for carrying out experimental studies of the nucleation and growth of gas hydrates has been constructed and tested. Multi wavelength extinction (MWE) was the experimental technique selected for obtaining particle diameter and concentration. The principle behind MWE is described as well as turbidity spectrum analysis that in an initial stage of the project was considered as an alternative experimental technique. Details of the experimental setup and its operation are outlined. The measuring cell consists of a 1 litre horizontal tube sustaining pressures up to 200 bar. Laser light for particle size determination can be applied through sapphire windows. A description of the various auxiliary equipment and of another gas hydrate cell used in the study are given. A computer program for simulation and analysis of gas hydrate experiments is based on the gas hydrate kinetics model proposed by Skovborg and Rasmussen (1993). Initial measurements showed that knowledge of the refractive index of gas hydrates was important in order to use MWE. An experimental determination of the refractive index of methane and natural gas hydrate is described. The test experiments performed with MWE on collectives of gas hydrate particles and experiments with ethane, methane and natural gas hydrate are discussed. Gas hydrate particles initially seem to grow mainly in size and at latter stages in number. (EG) EFP-94; 41 refs.

  20. Overview: Understanding nucleation phenomena from simulations of lattice gas models

    International Nuclear Information System (INIS)

    Binder, Kurt; Virnau, Peter

    2016-01-01

    Monte Carlo simulations of homogeneous and heterogeneous nucleation in Ising/lattice gas models are reviewed with an emphasis on the general insight gained on the mechanisms by which metastable states decay. Attention is paid to the proper distinction of particles that belong to a cluster (droplet), that may trigger a nucleation event, from particles in its environment, a problem crucial near the critical point. Well below the critical point, the lattice structure causes an anisotropy of the interface tension, and hence nonspherical droplet shapes result, making the treatment nontrivial even within the conventional classical theory of homogeneous nucleation. For temperatures below the roughening transition temperature facetted crystals rather than spherical droplets result. The possibility to find nucleation barriers from a thermodynamic analysis avoiding a cluster identification on the particle level is discussed, as well as the question of curvature corrections to the interfacial tension. For the interpretation of heterogeneous nucleation at planar walls, knowledge of contact angles and line tensions is desirable, and methods to extract these quantities from simulations will be mentioned. Finally, also the problem of nucleation near the stability limit of metastable states and the significance of the spinodal curve will be discussed, in the light of simulations of Ising models with medium range interactions.

  1. Effect of inter-species selective interactions on the thermodynamics and nucleation free-energy barriers of a tessellating polyhedral compound

    International Nuclear Information System (INIS)

    Escobedo, Fernando A.

    2016-01-01

    The phase behavior and the homogeneous nucleation of an equimolar mixture of octahedra and cuboctahedra are studied using thermodynamic integration, Gibbs-Duhem integration, and umbrella sampling simulations. The components of this mixture are modeled as polybead objects of equal edge lengths so that they can assemble into a space-filling compound with the CsCl crystal structure. Taking as reference the hard-core system where the compound crystal does not spontaneously nucleate, we quantified the effect of inter-species selective interactions on facilitating the disorder-to-order transition. Facet selective and facet non-selective inter-species attractions were considered, and while the former was expectedly more favorable toward the target tessellating structure, the latter was found to be similarly effective in nucleating the crystal compound. Ranges for the strength of attractions and degree of supersaturation were identified where the nucleation free-energy barrier was small enough to foretell a fast process but large enough to prevent spinodal fluctuations that can trap the system in dense metastable states lacking long-range order. At those favorable conditions, the tendency toward the local orientational order favored by packing entropy is amplified and found to play a key role seeding nuclei with the CsCl structure.

  2. Role of nucleation in nanodiamond film growth

    International Nuclear Information System (INIS)

    Lifshitz, Y.; Lee, C.H.; Wu, Y.; Zhang, W.J.; Bello, I.; Lee, S.T.

    2006-01-01

    Nanodiamond films were deposited using different microwave plasma chemical vapor deposition schemes following several nucleation pretreatment methods. The nucleation efficiency and the films structure were investigated using scanning and transmission electron microscopy and Raman spectroscopy. C 2 dimer growth (CH 4 and H 2 in 90% Ar) cannot nucleate diamond and works only on existing diamond surfaces. The methyl radical process (up to 20% CH 4 in H 2 ) allows some nucleation probability on appropriate substrates. Prolonged bias enhanced nucleation initiates both diamond nucleation and growth. C 2 dimer growth results in pure nanodiamond free of amorphous carbon, while prolonged bias enhanced nucleation forms an amorphous carbon/nanodiamond composite

  3. Swords with Blunt Edges

    Science.gov (United States)

    Popham, W. James

    2004-01-01

    Many U.S. educators now wonder whether they're teachers or targets. This mentality stems from the specter of their school being sanctioned for failing the state accountability tests mandated under No Child Left Behind (NCLB). According to this author, most of those tests are like blunt-edged swords: They function badly in two directions. While…

  4. Edge Detection,

    Science.gov (United States)

    1985-09-01

    PROJECT. T ASK0 Artificial Inteligence Laboratory AREA It WORK UNIT NUMBERS V 545 Technology Square ( Cambridge, HA 02139 I I* CONTOOL1LIN@4OFFICE NAME...ARD-A1t62 62 EDGE DETECTION(U) NASSACNUSETTS INST OF TECH CAMBRIDGE 1/1 ARTIFICIAL INTELLIGENCE LAB E C HILDRETH SEP 85 AI-M-8 N99SI4-8S-C-6595...used to carry out this analysis. cce~iO a N) ’.~" D LI’BL. P p ------------ Sj. t i MASSACHUSETTS INSTITUTE OF TECHNOLOGY i ARTIFICIAL INTELLIGENCE

  5. The nucleation of vorticity by ions in superfluid 4He

    International Nuclear Information System (INIS)

    Muirhead, C.M.; Vinen, W.F.; Donnelly, R.J.

    1985-01-01

    The theory developed in Part I is extended to include a discussion of nucleation by negative ions in the presence of dissolved 3 He at a concentration such that at a low temperature the negative ion bubble is likely to have adsorbed on its surface either one or two 3 He atoms. It is argued that the adsorbed 3 He atom can change the nucleation rate for two reasons: the atom can modify the perturbation applied to the helium at the surface of the ions; and it can act as a source of energy. The second of these effects is explored in some detail. It is shown that the 3 He atom is probably less strongly bound to the ion than it would be to the core of a vortex line; furthermore the atom adsorbed onto the surface of the ion can exist in a number of excited states (Shikin states), which are thermally populated even at quite low temperatures. Therefore, when nucleation of a vortex takes place, the 3 He atom might move from the ion surface to the core of the vortex or simply from one Shikin state to another of lower energy; in either case there is a release of energy. The existence of this energy release means, first, that nucleation becomes energetically possible at a reduced ionic velocity and secondly, that the energy barrier opposing nucleation is reduced in size. Therefore the critical velocity for vortex nucleation is reduced, and, for a given supercritical velocity, the rate of nucleation is increased. Addition of a second 3 He atom would have a similar effect. Further experiments are required to check the detailed predictions of the theory. (author)

  6. A note on the nucleation with multiple steps: Parallel and series nucleation

    OpenAIRE

    Iwamatsu, Masao

    2012-01-01

    Parallel and series nucleation are the basic elements of the complex nucleation process when two saddle points exist on the free-energy landscape. It is pointed out that the nucleation rates follow formulas similar to those of parallel and series connection of resistors or conductors in an electric circuit. Necessary formulas to calculate individual nucleation rates at the saddle points and the total nucleation rate are summarized and the extension to the more complex nucleation process is su...

  7. A classical density functional investigation of nucleation

    International Nuclear Information System (INIS)

    Ghosh, Satinath; Ghosh, Swapan K.

    2009-01-01

    Study of nucleation and growth phenomena in condensation is of prime importance in various applications such as crystal growth, nanoparticle synthesis, pattern formation etc. The knowledge of nucleation barrier in condensation is necessary to control the nucleation kinetics, size of the nanoparticles etc. Classical nucleation theory (CNT) assumes the density of the drop as bulk density irrespective of the size of the drop and overestimates the nucleation barrier. Here we are interested in solving the problem analytically using density functional theory (DFT) with square gradient approximation along the lines of Cahn and Hilliard. Nucleation barrier and density profile obtained in this work are consistent with other works based on nonclassical theory. (author)

  8. Nanoscale Phase Stability Reversal During the Nucleation and Growth of Titanium Oxide Minerals

    Science.gov (United States)

    Hummmer, D. R.; Heaney, P. J.; Kubicki, J. D.; Kent, P. R.; Post, J. E.

    2008-12-01

    Fine-grained titanium oxide minerals are important in soils, where they affect a variety of geochemical processes. They are also industrially important as catalysts, pigments, food additives, and dielectrics. Recent research has indicated an apparent reversal of thermodynamic stability between TiO2 phases at the nanoscale thought to be caused by an increased contribution of surface energy to the total free energy. Time-resolved X-ray diffraction (XRD) experiments in which titanium oxides crystallize from aqueous TiCl4 solutions confirm that anatase, a metastable phase, is always the first phase to nucleate under our range of initial conditions. Rutile peaks are observed only minutes after the first appearance of anatase, after which anatase abundance slowly decreases while rutile continues to form. Whole pattern refinement of diffraction data reveals that lattice constants of both phases increase throughout the crystallization process. In addition, transmission electron microscope (TEM) observations and kinetic modeling indicate that anatase does not undergo a solid-state transformation to the rutile structure as once thought. Instead, anatase appears to re-dissolve and then feed the growth of already nucleated rutile nanocrystals. Density functional theory (DFT) calculations were employed to model 1, 2, and 3 nm particles of both mineral phases. The total surface energies calculated from these models did yield lower values for anatase than for rutile by 8-13 kJ/mol depending on particle size, indicating that surface free energy is sufficient to account for stability reversal. However, these whole-particle surface energies were much higher than the sum of energies of each particle's constituent crystallographic surfaces. We attribute the excess energy to defects associated with the edges and corners of nanoparticles, which are not present on a 2-D periodic surface. This previously unreported edge and corner energy may play a dominant role in the stability reversal

  9. Introducing correlations into carrier transport simulations of disordered materials through seeded nucleation: impact on density of states, carrier mobility, and carrier statistics

    Science.gov (United States)

    Brown, J. S.; Shaheen, S. E.

    2018-04-01

    Disorder in organic semiconductors has made it challenging to achieve performance gains; this is a result of the many competing and often nuanced mechanisms effecting charge transport. In this article, we attempt to illuminate one of these mechanisms in the hopes of aiding experimentalists in exceeding current performance thresholds. Using a heuristic exponential function, energetic correlation has been added to the Gaussian disorder model (GDM). The new model is grounded in the concept that energetic correlations can arise in materials without strong dipoles or dopants, but may be a result of an incomplete crystal formation process. The proposed correlation has been used to explain the exponential tail states often observed in these materials; it is also better able to capture the carrier mobility field dependence, commonly known as the Poole-Frenkel dependence, when compared to the GDM. Investigation of simulated current transients shows that the exponential tail states do not necessitate Montroll and Scher fits. Montroll and Scher fits occur in the form of two distinct power law curves that share a common constant in their exponent; they are clearly observed as linear lines when the current transient is plotted using a log-log scale. Typically, these fits have been found appropriate for describing amorphous silicon and other disordered materials which display exponential tail states. Furthermore, we observe the proposed correlation function leads to domains of energetically similar sites separated by boundaries where the site energies exhibit stochastic deviation. These boundary sites are found to be the source of the extended exponential tail states, and are responsible for high charge visitation frequency, which may be associated with the molecular turnover number and ultimately the material stability.

  10. Living edge

    DEFF Research Database (Denmark)

    Earon, Ofri

    2014-01-01

    was originally introduced to enhance indoor qualities including light and view. Throughout the paper, it is argued that these ecological motives have grown to architectural and urban dimensions. The paper analyzes the characteristics and potentials of these dimensions and their interconnections. The paper...... on the ground level, but there is a lack of recognition in the significance of communicative characters as well at the higher part of the edge. The city’s planning approach is “Consider urban life before urban space. Consider urban space before buildings” This urban strategy neglects the possible architectural...... contribution to the street atmosphere and its effect on urban life. Bay balcony has been a common architectural element in Copenhagen’s residential buildings, since the end of the twenties. It is a domestic border with an architectural thickness combining window, door, windowsill and balcony. The bay balcony...

  11. Two-Dimensional Nucleation on the Terrace of Colloidal Crystals with Added Polymers.

    Science.gov (United States)

    Nozawa, Jun; Uda, Satoshi; Guo, Suxia; Hu, Sumeng; Toyotama, Akiko; Yamanaka, Junpei; Okada, Junpei; Koizumi, Haruhiko

    2017-04-04

    Understanding nucleation dynamics is important both fundamentally and technologically in materials science and other scientific fields. Two-dimensional (2D) nucleation is the predominant growth mechanism in colloidal crystallization, in which the particle interaction is attractive, and has recently been regarded as a promising method to fabricate varieties of complex nanostructures possessing innovative functionality. Here, polymers are added to a colloidal suspension to generate a depletion attractive force, and the detailed 2D nucleation process on the terrace of the colloidal crystals is investigated. In the system, we first measured the nucleation rate at various area fractions of particles on the terrace, ϕ area . In situ observations at single-particle resolution revealed that nucleation behavior follows the framework of classical nucleation theory (CNT), such as single-step nucleation pathway and existence of critical size. Characteristic nucleation behavior is observed in that the nucleation and growth stage are clearly differentiated. When many nuclei form in a small area of the terrace, a high density of kink sites of once formed islands makes growth more likely to occur than further nucleation because nucleation has a higher energy barrier than growth. The steady-state homogeneous 2D nucleation rate, J, and the critical size of nuclei, r*, are measured by in situ observations based on the CNT, which enable us to obtain the step free energy, γ, which is an important parameter for characterizing the nucleation process. The γ value is found to change according to the strength of attraction, which is tuned by the concentration of the polymer as a depletant.

  12. Nuclear fragmentation by nucleation approach

    International Nuclear Information System (INIS)

    Chung, K.C.

    1992-01-01

    The nucleation model is used to simulate nuclear fragmentation processes. The critical value of the effective interaction radius is shown to vary linearly with the expansion factor α. The calculated mass and charge distributions are compared with some experimental data. (author)

  13. Improved crystalline quality of AlN epitaxial layer on sapphire by introducing TMGa pulse flow into the nucleation stage

    Science.gov (United States)

    Wu, Hualong; Wang, Hailong; Chen, Yingda; Zhang, Lingxia; Chen, Zimin; Wu, Zhisheng; Wang, Gang; Jiang, Hao

    2018-05-01

    The crystalline quality of AlN epitaxial layers on sapphire substrates was improved by introducing trimethylgallium (TMGa) pulse flow into the growth of AlN nucleation layers. It was found that the density of both screw- and edge-type threading dislocations could be significantly reduced by introducing the TMGa pulse flow. With increasing TMGa pulse flow times, the lateral correlation length (i.e. the grain size) increases and the strain in the AlN epilayers changes from tensile state to compressive state. Unstrained AlN with the least dislocations and a smooth surface was obtained by introducing 2-times TMGa pulse flow. The crystalline improvement is attributed to enhanced lateral growth and improved crystalline orientation by the TMGa pulse flow.

  14. Kinetics of transformations nucleated on random parallel planes: analytical modelling and computer simulation

    International Nuclear Information System (INIS)

    Rios, Paulo R; Assis, Weslley L S; Ribeiro, Tatiana C S; Villa, Elena

    2012-01-01

    In a classical paper, Cahn derived expressions for the kinetics of transformations nucleated on random planes and lines. He used those as a model for nucleation on the boundaries, edges and vertices of a polycrystal consisting of equiaxed grains. In this paper it is demonstrated that Cahn's expression for random planes may be used in situations beyond the scope envisaged in Cahn's original paper. For instance, we derived an expression for the kinetics of transformations nucleated on random parallel planes that is identical to that formerly obtained by Cahn considering random planes. Computer simulation of transformations nucleated on random parallel planes is carried out. It is shown that there is excellent agreement between simulated results and analytical solutions. Such an agreement is to be expected if both the simulation and the analytical solution are correct. (paper)

  15. Influence of mixing and solid concentration on sodium bicarbonate secondary nucleation rate in stirred tank

    Energy Technology Data Exchange (ETDEWEB)

    Wylock, C.; Debaste, F.; Haut, B. [Transfers, Interfaces and Processes - Chemical Engineering Unit, ULB, Brussels (Belgium); Gutierrez, V.; Delplancke-Ogletree, M.P. [Chemicals and Materials Department, ULB, Brussels (Belgium); Cartage, T. [Solvay SA, Brussels (Belgium)

    2010-09-15

    This work aims to investigate the influence of the solid concentration in suspension on the contact secondary nucleation rate of sodium bicarbonate crystallization in a stirred tank crystallizer and to show the necessity of a local description of the mixing for a nucleation rate influence study. Experiments and computational fluid dynamics (CFD) simulations are realized. Crystallization kinetic parameters are extracted from experimental data using a mass distribution fitting approach. CFD and the experimental results allow identifying that a mixing property correlated with the measurements of the secondary nucleation rate in the stirred tank crystallizer appears to be the turbulent dissipation rate on the edge of the impeller. Its influence and the influence of the solid concentration in the suspension on the secondary nucleation rate are estimated by the evaluation of their exponents in a kinetic law. The obtained exponent values are then discussed qualitatively. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  16. Droplet Nucleation: Physically-Based Parameterizations and Comparative Evaluation

    Directory of Open Access Journals (Sweden)

    Steve Ghan

    2011-10-01

    Full Text Available One of the greatest sources of uncertainty in simulations of climate and climate change is the influence of aerosols on the optical properties of clouds. The root of this influence is the droplet nucleation process, which involves the spontaneous growth of aerosol into cloud droplets at cloud edges, during the early stages of cloud formation, and in some cases within the interior of mature clouds. Numerical models of droplet nucleation represent much of the complexity of the process, but at a computational cost that limits their application to simulations of hours or days. Physically-based parameterizations of droplet nucleation are designed to quickly estimate the number nucleated as a function of the primary controlling parameters: the aerosol number size distribution, hygroscopicity and cooling rate. Here we compare and contrast the key assumptions used in developing each of the most popular parameterizations and compare their performances under a variety of conditions. We find that the more complex parameterizations perform well under a wider variety of nucleation conditions, but all parameterizations perform well under the most common conditions. We then discuss the various applications of the parameterizations to cloud-resolving, regional and global models to study aerosol effects on clouds at a wide range of spatial and temporal scales. We compare estimates of anthropogenic aerosol indirect effects using two different parameterizations applied to the same global climate model, and find that the estimates of indirect effects differ by only 10%. We conclude with a summary of the outstanding challenges remaining for further development and application.

  17. Ice nucleation properties of mineral dusts

    OpenAIRE

    Steinke, Isabelle

    2013-01-01

    Ice nucleation in clouds has a significant impact on the global hydrological cycle as well as on the radiative budget of the Earth. The AIDA cloud chamber was used to investigate the ice nucleation efficiency of various atmospherically relevant mineral dusts. From experiments with Arizona Test Dust (ATD) a humidity and temperature dependent ice nucleation active surface site density parameterization was developed to describe deposition nucleation at temperatures above 220 K. Based...

  18. Nucleation in Polymers and Soft Matter

    Science.gov (United States)

    Xu, Xiaofei; Ting, Christina L.; Kusaka, Isamu; Wang, Zhen-Gang

    2014-04-01

    Nucleation is a ubiquitous phenomenon in many physical, chemical, and biological processes. In this review, we describe recent progress on the theoretical study of nucleation in polymeric fluids and soft matter, including binary mixtures (polymer blends, polymers in poor solvents, compressible polymer-small molecule mixtures), block copolymer melts, and lipid membranes. We discuss the methodological development for studying nucleation as well as novel insights and new physics obtained in the study of the nucleation behavior in these systems.

  19. Homogeneous nucleation of water in synthetic air

    NARCIS (Netherlands)

    Fransen, M.A.L.J.; Sachteleben, E.; Hruby, J.; Smeulders, D.M.J.; DeMott, P.J.; O'Dowd, C.D.

    2013-01-01

    Homogeneous nucleation rates for water vapor in synthetic air are measured by means of a Pulse-Expansion Wave Tube (PEWT). A comparison of the experimental nucleation rates with the Classical Nucleation Theory (CNT) shows that a more elaborated model is necessary to describe supercooled water

  20. A classical view on nonclassical nucleation

    NARCIS (Netherlands)

    Smeets, P.J.M.; Finney, A.R.; Habraken, W.J.E.M.; Nudelman, F.; Friedrich, H.; Laven, J.; De Yoreo, J.J.; Rodger, P.M.; Sommerdijk, N.A.J.M.

    2017-01-01

    Understanding and controlling nucleation is important for many crystallization applications. Calcium carbonate (CaCO3) is often used as a model system to investigate nucleation mechanisms. Despite its great importance in geology, biology, and many industrial applications, CaCO3 nucleation is still a

  1. Nucleation in bubble chambers

    International Nuclear Information System (INIS)

    Harigel, G.G.

    1988-01-01

    Various sources and mechanisms for bubble formation in superheated liquids are discussed. Bubble chambers can be filled with a great variety of liquids, such as e.g. the cryogenic liquids hydrogen, deuterium, neon, neon/hydrogen mixtures, argon, nitrogen, argon/nitrogen mixtures, or the warm liquids propane and various Freon like Freon-13B1. The superheated state is normally achieved by a rapid movement of an expansion piston or membrane, but can also be produced by standing ultrasonic waves, shock waves, or putting liquids under tension. Bubble formation can be initiated by ionizing particles, by intense (laser) light, or on rough surfaces. The creation of embryonic bubbles is not completely understood, but the macroscopic growth and condensation can be calculated, allowing to estimate the dynamic heat load [fr

  2. Edge-state-dependent tunneling of dipole-exchange spin waves in submicrometer magnetic strips with an air gap.

    Science.gov (United States)

    Xing, X J; Zhang, D; Li, S W

    2012-12-14

    We have investigated the tunneling of dipole-exchange spin waves across an air gap in submicrometer-sized permalloy magnetic strips by means of micromagnetic simulations. The magnetizations beside the gap could form three distinct end-domain states with various strengths of dipolar coupling. Spin-wave tunneling through the gap at individual end-domain states is studied. It is found that the tunneling behavior is strongly dependent on these domain states. Nonmonotonic decay of transmission of spin waves with the increase of the gap width is observed. The underlying mechanism for these behaviors is proposed. The tunneling characteristics of the dipole-exchange spin waves differ essentially from those of the magnetostatic ones reported previously.

  3. The mechanisms of transitions from natural convection and nucleate boiling to nucleate boiling or film boiling caused by rapid depressurization in highly subcooled water

    International Nuclear Information System (INIS)

    Sakurai, Akira; Shiotsu, Masahiro; Hata, Koichi; Fukuda, Katsuya

    1999-01-01

    The mechanisms of transient boiling process including the transitions to nucleate boiling or film boiling from initial heat fluxes, q in , in natural convection and nucleate boiling regimes caused by exponentially decreasing system pressure with various decreasing periods, τ p on a horizontal cylinder in a pool of highly subcooled water were clarified. The transient boiling processes with different characteristics were divided into three groups for low and intermediate q in in natural convection regime, and for high q in in nucleate boiling regime. The transitions at maximum heat fluxes from low q in in natural convection regime to stable nucleate boiling regime occurred independently of the τ p values. The transitions from intermediate and high q in values in natural convection and nucleate boiling to stable film boiling occurred for short τ p values, although those to stable nucleate boiling occurred for tong τ p values. The CHF and corresponding surface superheat values at which the transition to film boiling occurred were considerably lower and higher than the steady-state values at the corresponding pressure during the depressurization respectively. It was suggested that the transitions to stable film boiling at transient critical heat fluxes from intermediate q in in natural convection and from high q in in nucleate boiling for short τ p occur due to explosive-like heterogeneous spontaneous nucleation (HSN). The photographs of typical vapor behavior due to the HSN during depressurization from natural convection regime for short τ p were shown. (author)

  4. Ice nucleation activity of polysaccharides

    Science.gov (United States)

    Bichler, Magdalena; Felgitsch, Laura; Haeusler, Thomas; Seidl-Seiboth, Verena; Grothe, Hinrich

    2015-04-01

    Heterogeneous ice nucleation is an important process in the atmosphere. It shows direct impact on our climate by triggering ice cloud formation and therefore it has much influence on the radiation balance of our planet (Lohmann et al. 2002; Mishchenko et al. 1996). The process itself is not completely understood so far and many questions remain open. Different substances have been found to exhibit ice nucleation activity (INA). Due to their vast differences in chemistry and morphology it is difficult to predict what substance will make good ice nuclei and which will not. Hence simple model substances must be found and be tested regarding INA. Our work aims at gaining to a deeper understanding of heterogeneous ice nucleation. We intend to find some reference standards with defined chemistry, which may explain the mechanisms of heterogeneous ice nucleation. A particular focus lies on biological carbohydrates in regards to their INA. Biological carbohydrates are widely distributed in all kingdoms of life. Mostly they are specific for certain organisms and have well defined purposes, e.g. structural polysaccharides like chitin (in fungi and insects) and pectin (in plants), which has also water-binding properties. Since they are widely distributed throughout our biosphere and mostly safe to use for nutrition purposes, they are well studied and easily accessible, rendering them ideal candidates as proxies. In our experiments we examined various carbohydrates, like the already mentioned chitin and pectin, as well as their chemical modifications. Lohmann U.; A Glaciation Indirect Aerosol Effect Caused by Soot Aerosols; J. Geoph. Res.; Vol. 24 No.4; pp 11-1 - 11-4; 2002 Mishchenko M.I., Rossow W.B., Macke A., Lacis A. A.; Sensitivity of Cirrus Cloud Albedo, Bidirectional Reflectance and Optical Thickness Retrieval Accuracy to Ice Particle Shape, J. Geoph. Res.; Vol. 101, No D12; pp. 16,973 - 16,985; 1996

  5. Revision of nucleated boiling mechanisms

    International Nuclear Information System (INIS)

    Converti, J.; Balino, J.L.

    1987-01-01

    The boiling occurrence plays an important role in the power reactors energy transfer. But still, there is not a final theory on the boiling mechanisms. This paper presents a critical analysis of the most important nucleated boiling models that appear in literature. The conflicting points are identified and experiments are proposed to clear them up. Some of these experiments have been performed at the Thermohydraulics laboratory (Bariloche Atomic Center). (Author)

  6. Atomistic nucleation sites of Pt nanoparticles on N-doped carbon nanotubes.

    Science.gov (United States)

    Sun, Chia-Liang; Pao, Chih-Wen; Tsai, Huang-Ming; Chiou, Jau-Wern; Ray, Sekhar C; Wang, Houng-Wei; Hayashi, Michitoshi; Chen, Li-Chyong; Lin, Hong-Ji; Lee, Jyh-Fu; Chang, Li; Tsai, Min-Hsiung; Chen, Kuei-Hsien; Pong, Way-Faung

    2013-08-07

    The atomistic nucleation sites of Pt nanoparticles (Pt NPs) on N-doped carbon nanotubes (N-CNTs) were investigated using C and N K-edge and Pt L3-edge X-ray absorption near-edge structure (XANES)/extended X-ray absorption fine structure (EXAFS) spectroscopy. Transmission electron microscopy and XANES/EXAFS results revealed that the self-organized Pt NPs on N-CNTs are uniformly distributed because of the relatively high binding energies of the adsorbed Pt atoms at the imperfect sites. During the atomistic nucleation process of Pt NPs on N-CNTs, stable Pt-C and Pt-N bonds are presumably formed, and charge transfer occurs at the surface/interface of the N-CNTs. The findings in this study were consistent with density functional theory calculations performed using cluster models for the undoped, substitutional-N-doped and pyridine-like-N-doped CNTs.

  7. Excited State s-cis Rotamers Produced by Extreme Red Edge Excitation of all-trans-1,4-Diphenyl-1,3-butadiene

    DEFF Research Database (Denmark)

    Wallace-Williams, Stacie E.; Møller, Søren; Goldbeck, Robert A.

    1993-01-01

    with the wavelength independence observed for the excited singlet-state absorption and fluorescence emission spectra of 1,5-diphenyl-2,3,4,6,7,8- hexahydronaphthalene and for the fluorescence emission spectra of 1,4diphenyl-1,3-cyclopentadiene, s-trans and s-cis structural analogs of DPB, respectively. The spectral...... changes in DPB can be explained in terms of an excitation wavelength-dependent production of s-cis and s-trans rotamer populations in the excited state. The DPB fluorescence emission spectrum was resolved into s-cis and s-trans components. The vibronic structure of the s-cis fluorescence spectrum...... is similar to that of s-trans, but the band origin is red-shifted and there is a slightly larger amplitude on the red edge. The excited-state absorption spectrum of s-cis DPB appears to be red-shifted relative to that of s-trans DPB as well....

  8. THE CALCULATION OF STRESS-STRAIN STATE OF THREE-LAYER BEAM TAKING INTO ACCOUNT EDGE EFFECTS

    Directory of Open Access Journals (Sweden)

    Kh. M. Muselemov

    2015-01-01

    Full Text Available The work is dedicated to the calculation of the stress-strain state (SSS of the three-layer beam (TLB subject to boundary effects.In this paper, a system of differential equations of equilibrium of the threelayer beam. To solve these equations, it is necessary to know the 12 boundary conditions, co-which depend on support conditions and loading of sandwich beams under study. This system of equations is solved by the application package of mathematical modeling "Maple 5.4." The solution of this system we obtain expressions for determining de-formations and stress all components (bearing layers and filler, a three-layer beam anywhere under specified conditions of fastening the ends of the beam and its loading. 

  9. Enhancement of the droplet nucleation in a dense supersaturated Lennard-Jones vapor

    Energy Technology Data Exchange (ETDEWEB)

    Zhukhovitskii, D. I., E-mail: dmr@ihed.ras.ru [Joint Institute of High Temperatures, Russian Academy of Sciences, Izhorskaya 13, Bd. 2, 125412 Moscow (Russian Federation)

    2016-05-14

    The vapor–liquid nucleation in a dense Lennard-Jones system is studied analytically and numerically. A solution of the nucleation kinetic equations, which includes the elementary processes of condensation/evaporation involving the lightest clusters, is obtained, and the nucleation rate is calculated. Based on the equation of state for the cluster vapor, the pre-exponential factor is obtained. The latter diverges as a spinodal is reached, which results in the nucleation enhancement. The work of critical cluster formation is calculated using the previously developed two-parameter model (TPM) of small clusters. A simple expression for the nucleation rate is deduced and it is shown that the work of cluster formation is reduced for a dense vapor. This results in the nucleation enhancement as well. To verify the TPM, a simulation is performed that mimics a steady-state nucleation experiments in the thermal diffusion cloud chamber. The nucleating vapor with and without a carrier gas is simulated using two different thermostats for the monomers and clusters. The TPM proves to match the simulation results of this work and of other studies.

  10. State-shifting at the edge of resilience: River suspended sediment responses to land use change and extreme storms

    Science.gov (United States)

    Abbott, Samantha; Julian, Jason P.; Kamarinas, Ioannis; Meitzen, Kimberly M.; Fuller, Ian C.; McColl, Samuel T.; Dymond, John R.

    2018-03-01

    The interaction of climate, geomorphology, and land use dictates catchment sediment production and associated river sediment loads. Accordingly, the resilience of catchments to disturbances can be assessed with suspended sediment regimes. This case study in the hill country of the lower North Island of New Zealand was a decade-long examination of the short- and long-term effects of an extreme storm event on sediment supply and exhaustion in the Oroua and Pohangina catchments, two catchments that have experienced intense land use changes and frequent broad-scale landslides. Indicators of Hydrologic Alteration, a program developed to characterize hydrologic regimes, was used to analyze daily suspended sediment records over a period of a decade in order to characterize sediment regimes of the Oroua and Pohangina. An aggregated data set of sediment-bearing events for the period of record was analyzed to examine the suspended sediment response of individual storms relative to runoff magnitudes. The findings of this study demonstrate that large storms that generate extreme landsliding and flooding have the ability to produce enough sediment to temporarily convert catchments from a supply-limited state to a transport-limited state. Landsliding and thus sediment supply was disproportionately high in locations where livestock grazing occurred on steep hillslopes. The timing and intensity of previous storms, or the antecedent catchment condition, was also shown to influence the response of the catchments. In both catchments, suspended sediment loads were elevated for a period of 4 years following the landslide-generating February 2004 storm. The methods and findings we present are useful for assessing the resilience of catchments exposed to frequent disturbances such as land use changes and landslides.

  11. Homogeneous nucleation limit on the bulk formation of metallic glasses

    International Nuclear Information System (INIS)

    Drehman, A.J.

    1983-01-01

    Glassy Pd 82 Si 18 spheres, of up to 1 mm diameter, were formed in a drop tube filled with He gas. The largest spheres were successfully cooled to a glass using a cooling rate of less than 800 K/sec. Even at this low cooling rate, crystallization (complete or partial) was the result of heterogeneous nucleation at a high temperature, relative to the temperature at which copious homogeneous nucleation would commence. Bulk underscoring experiments demonstrated that this alloy could be cooled to 385 K below its eutectic melting temperature (1083 K) without the occurrence of crystallization. If heterogeneous nucleation can be avoided, it is estimated that a cooling rate of at most 100 K/sec would be required to form this alloy in the glassy state. Ingots of glassy Pd 40 Ni 40 P 20 were formed from the liquid by cooling at a rate of only 1 K/sec. It was found that glassy samples of this alloy could be heated well above the glass transition temperature without the occurrence of rapid divitrification. This is a result due, in part of the low density of pre-existing nuclei, but, more importantly, due to the low homogeneous nucleation rate and the slow crystal growth kinetics. Based on the observed devitrification kinetics, the steady-state homogeneous nucleation rate is approximately 1 nuclei/cm 3 sec at 590 K (the temperature at which the homogeneous nucleation rate is estimated to be a maximum). Two iron-nickel based glass-forming alloys (Fe 40 Ni 40 P 14 B 6 and Fe 40 Ni 40 B 20 , were not successfully formed into glassy spheres, however, microstructural examination indicates that crystallization was not the result of copious homogeneous nucleation. In contrast, glass forming iron based alloys (Fe 80 B 20 and Fe/sub 79.3/B/sub 16.4/Si/sub 4.0/C/sub 0.3/) exhibit copious homogeneous nucleation when cooled at approximately the same rate

  12. Thermodynamic and Dynamic Aspects of Ice Nucleation

    Science.gov (United States)

    Barahona, Donifan

    2018-01-01

    It is known that ice nucleating particles (INP) immersed within supercooled droplets promote the formation of ice. Common theoretical models used to represent this process assume that the immersed particle lowers the work of ice nucleation without significantly affecting the dynamics of water in the vicinity of the particle. This is contrary to evidence showing that immersed surfaces significantly affect the viscosity and diffusivity of vicinal water. To study how this may affect ice formation this work introduces a model linking the ice nucleation rate to the modification of the dynamics and thermodynamics of vicinal water by immersed particles. It is shown that INP that significantly reduce the work of ice nucleation also pose strong limitations to the growth of the nascent ice germs. This leads to the onset of a new ice nucleation regime, called spinodal ice nucleation, where the dynamics of ice germ growth instead of the ice germ size determines the nucleation rate. Nucleation in this regime is characterized by an enhanced sensitivity to particle area and cooling rate. Comparison of the predicted ice nucleation rate against experimental measurements for a diverse set of species relevant to cloud formation suggests that spinodal ice nucleation may be common in nature.

  13. A note on the nucleation with multiple steps: parallel and series nucleation.

    Science.gov (United States)

    Iwamatsu, Masao

    2012-01-28

    Parallel and series nucleation are the basic elements of the complex nucleation process when two saddle points exist on the free-energy landscape. It is pointed out that the nucleation rates follow formulas similar to those of parallel and series connection of resistors or conductors in an electric circuit. Necessary formulas to calculate individual nucleation rates at the saddle points and the total nucleation rate are summarized, and the extension to the more complex nucleation process is suggested. © 2012 American Institute of Physics

  14. Synaptic Bistability Due to Nucleation and Evaporation of Receptor Clusters

    KAUST Repository

    Burlakov, V. M.

    2012-01-10

    We introduce a bistability mechanism for long-term synaptic plasticity based on switching between two metastable states that contain significantly different numbers of synaptic receptors. One state is characterized by a two-dimensional gas of mobile interacting receptors and is stabilized against clustering by a high nucleation barrier. The other state contains a receptor gas in equilibrium with a large cluster of immobile receptors, which is stabilized by the turnover rate of receptors into and out of the synapse. Transitions between the two states can be initiated by either an increase (potentiation) or a decrease (depotentiation) of the net receptor flux into the synapse. This changes the saturation level of the receptor gas and triggers nucleation or evaporation of receptor clusters. © 2012 American Physical Society.

  15. Nonlocal free vibration in the pre- and post-buckled states of magneto-electro-thermo elastic rectangular nanoplates with various edge conditions

    Science.gov (United States)

    Ansari, R.; Gholami, R.

    2016-09-01

    Considering the small scale effect together with the influences of transverse shear deformation, rotary inertia and the magneto-electro-thermo-mechanical coupling, the linear free vibration of magneto-electro-thermo-elastic (METE) rectangular nanoplates with various edge supports in pre- and post-buckled states is investigated herein. It is assumed that the METE nanoplate is subjected to the external in-plane compressive loads in combination with magnetic, electric and thermal loads. The Mindlin plate theory, von Kármán hypothesis and the nonlocal theory are utilized to develop a size-dependent geometrically nonlinear plate model for describing the size-dependent linear and nonlinear mechanical characteristics of moderately thick METE rectangular nanoplates. The nonlinear governing equations and the corresponding boundary conditions are derived using Hamilton’s principle which are then discretized via the generalized differential quadrature method. The pseudo-arc length continuation approach is used to obtain the equilibrium postbuckling path of METE nanoplates. By the obtained postbuckling response, and taking a time-dependent small disturbance around the buckled configuration, and inserting them into the nonlinear governing equations, an eigenvalue problem is achieved from which the frequencies of pre- and post-buckled METE nanoplates can be calculated. The effects of nonlocal parameter, electric, magnetic and thermal loadings, length-to-thickness ratio and different boundary conditions on the free vibration response of METE rectangular nanoplates in the pre- and post-buckled states are highlighted.

  16. In situ X-ray near-edge absorption spectroscopy investigation of the state of charge of all-vanadium redox flow batteries.

    Science.gov (United States)

    Jia, Chuankun; Liu, Qi; Sun, Cheng-Jun; Yang, Fan; Ren, Yang; Heald, Steve M; Liu, Yadong; Li, Zhe-Fei; Lu, Wenquan; Xie, Jian

    2014-10-22

    Synchrotron-based in situ X-ray near-edge absorption spectroscopy (XANES) has been used to study the valence state evolution of the vanadium ion for both the catholyte and anolyte in all-vanadium redox flow batteries (VRB) under realistic cycling conditions. The results indicate that, when using the widely used charge-discharge profile during the first charge process (charging the VRB cell to 1.65 V under a constant current mode), the vanadium ion valence did not reach V(V) in the catholyte and did not reach V(II) in the anolyte. Consequently, the state of charge (SOC) for the VRB cell was only 82%, far below the desired 100% SOC. Thus, such incompletely charged mix electrolytes results in not only wasting the electrolytes but also decreasing the cell performance in the following cycles. On the basis of our study, we proposed a new charge-discharge profile (first charged at a constant current mode up to 1.65 V and then continuously charged at a constant voltage mode until the capacity was close to the theoretical value) for the first charge process that achieved 100% SOC after the initial charge process. Utilizing this new charge-discharge profile, the theoretical charge capacity and the full utilization of electrolytes has been achieved, thus having a significant impact on the cost reduction of the electrolytes in VRB.

  17. Atomistic simulation of dislocation nucleation barriers from cracktips in α-Fe

    International Nuclear Information System (INIS)

    Gordon, Peter A; Neeraj, T; Luton, Michael J

    2008-01-01

    In this work, we demonstrate that activation pathways for dislocation loop nucleation from cracktips can be explored with full atomistic detail using an efficient form of the nudged elastic band method. The approach is demonstrated in detail with an example of edge emission from an Fe crack under mode II loading, wherein activation energy barriers are obtained as a function of sub-critical stress intensity and the energy barriers for loop formation are compared with 2D calculations. Activation energy barriers are also computed for an intrinsically ductile cracktip orientation under mode I loading, from which we can infer the frequency of nucleation from the cracktip

  18. Nucleation in an ultra low ionization environment

    DEFF Research Database (Denmark)

    Pedersen, Jens Olaf Pepke; Enghoff, Martin Andreas Bødker; Paling, Sean

    Atmospheric ions can enhance the nucleation of aerosols, as has been established by experiments, observation, and theory. In the clean marine atmosphere ionization is mainly caused by cosmic rays which in turn are controlled by the activity of the Sun, thus providing a potential link between solar...... activity and climate. In order to understand the effect ions may have on the production of cloud condensation nuclei the overall contribution of ion induced nucleation to the global production of secondary aerosols must be determined. One issue with determining this contribution is that several mechanisms...... for nucleation exist and it can be difficult to determine the relative importance of the various mechanisms in a given nucleation event when both ion induced and electrically neutral nucleation mechanisms are at work at the same time. We have carried out nucleation experiments in the Boulby Underground...

  19. Nucleation theory in Langevin's approach and lifetime of a Brownian particle in potential wells.

    Science.gov (United States)

    Alekseechkin, N V

    2008-07-14

    The multivariable theory of nucleation suggested by Alekseechkin [J. Chem. Phys. 124, 124512 (2006)] is further developed in the context of Langevin's approach. The use of this approach essentially enhances the capability of the nucleation theory, because it makes possible to consider the cases of small friction which are not taken into account by the classical Zel'dovich-Frenkel theory and its multivariable extensions. The procedure for the phenomenological determination of the nucleation parameters is described. Using the similarity of the Kramers model with that of nucleation, the lifetime of a Brownian particle in potential wells in various dimensionalities is calculated with the help of the expression for the steady state nucleation rate.

  20. Edge passivation induced single-edge ferromagnetism of zigzag MoS_2 nanoribbons

    International Nuclear Information System (INIS)

    Wang, Rui; Sun, Hui; Ma, Ben; Hu, Jingguo; Pan, Jing

    2017-01-01

    We performed density functional theory study on electronic structure, magnetic properties and stability of zigzag MoS_2 nanoribbons (ZMoS_2NRs) with and without oxygen (O) passivation. The bare ZMoS_2NRs are magnetic metal with ferromagnetic edge states, edge passivation decreases their magnetism because of the decrease of edge unsaturated electrons. Obviously, the electronic structure and magnetic properties of ZMoS_2NRs greatly depend on edge states. When both edges are passivated by O atoms, ZMoS_2NRs are nonmagnetic metals. When either edge is passivated by O atoms, the systems exhibit single-edge ferromagnetism and magnetism concentrates on the non-passivated edge. Edge passivation can not only tune the magnetism of ZMoS_2NRs, but also enhance their stability by eliminating dangling bonds. These interesting findings on ZMoS_2NRs may open the possibility of their application in nanodevices and spintronics. - Highlights: • Edge passivation for tuning magnetism of zigzag MoS_2 nanoribbons (ZMoS_2NRs) is proposed. • Edge passivation can tune ZMoS_2NRs from nonmagnetic metal to ferromagnetic metal. • When either edge is passivated, the systems exhibit single-edge ferromagnetic states. • These findings may inspire great interest in the community of ZMoS_2NRs and motivate numerous experimental researches.

  1. Truncated Dual-Cap Nucleation Site Development

    Science.gov (United States)

    Matson, Douglas M.; Sander, Paul J.

    2012-01-01

    During heterogeneous nucleation within a metastable mushy-zone, several geometries for nucleation site development must be considered. Traditional spherical dual cap and crevice models are compared to a truncated dual cap to determine the activation energy and critical cluster growth kinetics in ternary Fe-Cr-Ni steel alloys. Results of activation energy results indicate that nucleation is more probable at grain boundaries within the solid than at the solid-liquid interface.

  2. Effects of clustered nucleation on recrystallization

    DEFF Research Database (Denmark)

    Storm, Søren; Juul Jensen, Dorte

    2009-01-01

    Computer simulations are used to study effects of an experimentally determined 3D distribution of nucleation sites on the recrystallization kinetics and on the evolution of the recrystallized microstructure as compared to simulations with random nucleation. It is found that although...... the experimentally observed clustering is not very strong, it changes the kinetics and the recrystallized microstructural morphology plus leads to a recrystallized grain size distribution, which is significantly broadened compared to that of random nucleation simulations. (C) 2009 Published by Elsevier Ltd...

  3. Homogeneous nucleation of water in argon. Nucleation rate computation from molecular simulations of TIP4P and TIP4P/2005 water model.

    Science.gov (United States)

    Dumitrescu, Lucia R; Smeulders, David M J; Dam, Jacques A M; Gaastra-Nedea, Silvia V

    2017-02-28

    Molecular dynamics (MD) simulations were conducted to study nucleation of water at 350 K in argon using TIP4P and TIP4P/2005 water models. We found that the stability of any cluster, even if large, strongly depends on the energetic interactions with its vicinity, while the stable clusters change their composition almost entirely during nucleation. Using the threshold method, direct nucleation rates are obtained. Our nucleation rates are found to be 1.08×10 27 cm -3 s -1 for TIP4P and 2.30×10 27 cm -3 s -1 for TIP4P/2005. The latter model prescribes a faster dynamics than the former, with a nucleation rate two times larger due to its higher electrostatic charges. The non-equilibrium water densities derived from simulations and state-of-art equilibrium parameters from Vega and de Miguel [J. Chem. Phys. 126, 154707 (2007)] are used for the classical nucleation theory (CNT) prediction. The CNT overestimates our results for both water models, where TIP4P/2005 shows largest discrepancy. Our results complement earlier data at high nucleation rates and supersaturations in the Hale plot [Phys. Rev. A 33, 4156 (1986)], and are consistent with MD data on the SPC/E and the TIP4P/2005 model.

  4. Ice nucleation triggered by negative pressure.

    Science.gov (United States)

    Marcolli, Claudia

    2017-11-30

    Homogeneous ice nucleation needs supercooling of more than 35 K to become effective. When pressure is applied to water, the melting and the freezing points both decrease. Conversely, melting and freezing temperatures increase under negative pressure, i.e. when water is stretched. This study presents an extrapolation of homogeneous ice nucleation temperatures from positive to negative pressures as a basis for further exploration of ice nucleation under negative pressure. It predicts that increasing negative pressure at temperatures below about 262 K eventually results in homogeneous ice nucleation while at warmer temperature homogeneous cavitation, i. e. bubble nucleation, dominates. Negative pressure occurs locally and briefly when water is stretched due to mechanical shock, sonic waves, or fragmentation. The occurrence of such transient negative pressure should suffice to trigger homogeneous ice nucleation at large supercooling in the absence of ice-nucleating surfaces. In addition, negative pressure can act together with ice-inducing surfaces to enhance their intrinsic ice nucleation efficiency. Dynamic ice nucleation can be used to improve properties and uniformity of frozen products by applying ultrasonic fields and might also be relevant for the freezing of large drops in rainclouds.

  5. Probabilistic approach to lysozyme crystal nucleation kinetics.

    Science.gov (United States)

    Dimitrov, Ivaylo L; Hodzhaoglu, Feyzim V; Koleva, Dobryana P

    2015-09-01

    Nucleation of lysozyme crystals in quiescent solutions at a regime of progressive nucleation is investigated under an optical microscope at conditions of constant supersaturation. A method based on the stochastic nature of crystal nucleation and using discrete time sampling of small solution volumes for the presence or absence of detectable crystals is developed. It allows probabilities for crystal detection to be experimentally estimated. One hundred single samplings were used for each probability determination for 18 time intervals and six lysozyme concentrations. Fitting of a particular probability function to experimentally obtained data made possible the direct evaluation of stationary rates for lysozyme crystal nucleation, the time for growth of supernuclei to a detectable size and probability distribution of nucleation times. Obtained stationary nucleation rates were then used for the calculation of other nucleation parameters, such as the kinetic nucleation factor, nucleus size, work for nucleus formation and effective specific surface energy of the nucleus. The experimental method itself is simple and adaptable and can be used for crystal nucleation studies of arbitrary soluble substances with known solubility at particular solution conditions.

  6. Effect of Built-Up Edge Formation during Stable State of Wear in AISI 304 Stainless Steel on Machining Performance and Surface Integrity of the Machined Part.

    Science.gov (United States)

    Ahmed, Yassmin Seid; Fox-Rabinovich, German; Paiva, Jose Mario; Wagg, Terry; Veldhuis, Stephen Clarence

    2017-10-25

    During machining of stainless steels at low cutting -speeds, workpiece material tends to adhere to the cutting tool at the tool-chip interface, forming built-up edge (BUE). BUE has a great importance in machining processes; it can significantly modify the phenomenon in the cutting zone, directly affecting the workpiece surface integrity, cutting tool forces, and chip formation. The American Iron and Steel Institute (AISI) 304 stainless steel has a high tendency to form an unstable BUE, leading to deterioration of the surface quality. Therefore, it is necessary to understand the nature of the surface integrity induced during machining operations. Although many reports have been published on the effect of tool wear during machining of AISI 304 stainless steel on surface integrity, studies on the influence of the BUE phenomenon in the stable state of wear have not been investigated so far. The main goal of the present work is to investigate the close link between the BUE formation, surface integrity and cutting forces in the stable sate of wear for uncoated cutting tool during the cutting tests of AISI 304 stainless steel. The cutting parameters were chosen to induce BUE formation during machining. X-ray diffraction (XRD) method was used for measuring superficial residual stresses of the machined surface through the stable state of wear in the cutting and feed directions. In addition, surface roughness of the machined surface was investigated using the Alicona microscope and Scanning Electron Microscopy (SEM) was used to reveal the surface distortions created during the cutting process, combined with chip undersurface analyses. The investigated BUE formation during the stable state of wear showed that the BUE can cause a significant improvement in the surface integrity and cutting forces. Moreover, it can be used to compensate for tool wear through changing the tool geometry, leading to the protection of the cutting tool from wear.

  7. Study of oxidation states of the transition metals in a series of Prussian blue analogs using x-ray absorption near edge structure (XANES) spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Adak, S. [Department of Physics, New Mexico State University, Las Cruces, NM, 88003 (United States); Hartl, M., E-mail: monika.hartl@esss.se [European Spallation Source ESS AB, 22100, Lund (Sweden); Manuel Lujan Jr. Neutron Scattering Center (LANSCE-LC), Los Alamos National Laboratory, Los Alamos, NM, 87545 (United States); Daemen, L. [Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, TN, 37830 (United States); Manuel Lujan Jr. Neutron Scattering Center (LANSCE-LC), Los Alamos National Laboratory, Los Alamos, NM, 87545 (United States); Fohtung, E.; Nakotte, H. [Department of Physics, New Mexico State University, Las Cruces, NM, 88003 (United States)

    2017-01-15

    Highlights: • Systematic XANES measurements on Prussian blue analogs shows oxidation state of transition metals. • Cobal-iron bimetallic hexacyanometallates show unexpected oxidation states. • Iron(II) ions in hexacyanometallates(III) show varying spin state depending on their bond to the “N” end or “C” end of the cyanide ligand. • Thermal expansion coefficients have been linked to the XANES results. - Abstract: There have been renewed interests in metal-organic framework classes of materials such as Prussian blue analogues (PBAs) due to their potential usage in energy storage applications. In particular, due to their high surface areas, controllable structures and excellent electrochemical properties, PBAs such as hexacyanometalates M{sup II}{sub 3}[A{sup III}(CN){sub 6}]{sub 2*}nH{sub 2}O (M = Mn, Fe, Co, Ni, Cu, Zn; A = Co, Fe, Cr; n = no. of water molecules present), M{sup II}{sub 2}[Fe{sup II}(CN){sub 6}]{sub 2*}nH{sub 2}O (M = Mn, Co, Ni, Cu, Zn) and mixed hexacyanometalates(III) (Fe{sub 1-x}Co{sub x}){sub 3}[B{sup III}(CN){sub 6}]{sub 2}·nH{sub 2}O (x = 0.25, 0.5, 0.75; B = Co, Fe) could have possible usage as a new class of cathode and even anode materials for rechargeable batteries. Detailed knowledge of the oxidation states of the transition metals in PBAs is required to improve efficiency and durability of such devices. Furthermore, a link between the thermal expansion observed in these materials and the oxidation state of the transition metal is of interest to synthesize materials with a desired thermal expansion behavior, Here we demonstrate the use of Synchrotron based X-ray absorption near-edge structure (XANES) spectra to identify transition metal oxidation states. Our analysis reveals the presence of divalent, trivalent and/or mixed valence transition metals in the materials as well as high-spin and low-spin complexes.

  8. Structuring effects in binary nucleation : Molecular dynamics simulatons and coarse-grained nucleation theory

    NARCIS (Netherlands)

    Braun, S.; Kraska, T.; Kalikmanov, V.I.

    2013-01-01

    Binary clusters formed by vapor-liquid nucleation are frequently nonhomogeneous objects in which components are not well mixed. The structure of a cluster plays an important role in nucleation and cluster growth. We demonstrate structuring effects by studying high-pressure nucleation and cluster

  9. Interaction potentials and their effect on crystal nucleation and symmetry

    International Nuclear Information System (INIS)

    Hsu, C.S.; Rahman, A.

    1979-01-01

    Molecular dynamics technique has been used to study the effect of the interaction potential on crystal nucleation and the symmetry of the nucleated phase. Four systems, namely rubidium, Lennard-Jones, rubidium-truncated, and Lennard-Jones-truncated, have been studied each at reduced density 0.95. Two types of calculations were performed. Firstly, starting from a liquid state, each system was quenched rapidly to a reduced temperature of approx.0.1. The nucleation process for these systems was monitored by studying the time dependence of temperature and the pair correlation function, and the resulting crystalline structure analyzed using among other properties the Voronoi polyhedra. Only in the case of rubidium was a b.c.c. structure nucleated. In the other three cases we obtained a f.c.c. ordering. Secondly, we have studied the effect of changing the interaction potential in a system which has already achieved an ordered state under the action of some other potential. After establishing a b.c.c. structure in a rubidium system, the change in the symmetry of the system was studied when the pair potential was modified to one of the other three forms. The results from both types of calculations are consistent: the rubidium potential leads to a b.c.c. structure while the other three potentials give an f.c.c. structure. Metastable disordered structures were not obtained in any of the calculations. However, the time elapse between the moment when the system is quick-quenched and the moment when nucleation occurs appears to depend upon the potential of interaction

  10. Exogenous Antioxidants—Double-Edged Swords in Cellular Redox State: Health Beneficial Effects at Physiologic Doses versus Deleterious Effects at High Doses

    Directory of Open Access Journals (Sweden)

    Jaouad Bouayed

    2010-01-01

    Full Text Available The balance between oxidation and antioxidation is believed to be critical in maintaining healthy biological systems. Under physiological conditions, the human antioxidative defense system including e.g., superoxide dismutase (SOD, catalase (CAT, glutathione peroxidase (GPx, glutathione (GSH and others, allows the elimination of excess reactive oxygen species (ROS including, among others superoxide anions (O2.-, hydroxyl radicals (OH., alkoxyl radicals (RO. and peroxyradicals (ROO.. However, our endogenous antioxidant defense systems are incomplete without exogenous originating reducing compounds such as vitamin C, vitamin E, carotenoids and polyphenols, playing an essential role in many antioxidant mechanisms in living organisms. Therefore, there is continuous demand for exogenous antioxidants in order to prevent oxidative stress, representing a disequilibrium redox state in favor of oxidation. However, high doses of isolated compounds may be toxic, owing to prooxidative effects at high concentrations or their potential to react with beneficial concentrations of ROS normally present at physiological conditions that are required for optimal cellular functioning. This review aims to examine the double-edged effects of dietary originating antioxidants with a focus on the most abundant compounds, especially polyphenols, vitamin C, vitamin E and carotenoids. Different approaches to enrich our body with exogenous antioxidants such as via synthetic antioxidants, diets rich in fruits and vegetables and taking supplements will be reviewed and experimental and epidemiological evidences discussed, highlighting that antioxidants at physiological doses are generally safe, exhibiting interesting health beneficial effects.

  11. Live Streaming of the Moon's Shadow from the Edge of Space across the United States during the August 2017 Total Solar Eclipse

    Science.gov (United States)

    Guzik, T. G.

    2017-12-01

    On August 21, 2017 approximately 55 teams across the path of totality of the eclipse across America will use sounding balloon platforms to transmit, in real-time from an altitude of 90,000 feet, HD video of the moon's shadow as it crosses the U.S. from Oregon to South Carolina. This unprecedented activity was originally organized by the Montana Space Grant Consortium in order to 1) use the rare total eclipse event to captivate the imagination of students and encourage the development of new ballooning teams across the United States, 2) provide an inexpensive high bandwidth data telemetry system for real-time video streaming, and 3) establish the basic infrastructure at multiple institutions enabling advanced "new generation" student ballooning projects following the eclipse event. A ballooning leadership group consisting of Space Grant Consortia in Montana, Colorado, Louisiana, and Minnesota was established to support further development and testing of the systems, as well as to assist in training the ballooning teams. This presentation will describe the high bandwidth telemetry system used for the never before attempted live streaming of HD video from the edge of space, the results of this highly collaborative science campaign stretching from coast-to-coast, potential uses of the data telemetry system for other student science projects, and lessons learned that can be applied to the 2024 total solar eclipse.

  12. Damage Evolution in Complex-Phase and Dual-Phase Steels during Edge Stretching

    Directory of Open Access Journals (Sweden)

    Nikky Pathak

    2017-03-01

    Full Text Available The role of microstructural damage in controlling the edge stretchability of Complex-Phase (CP and Dual-Phase (DP steels was evaluated using hole tension experiments. The experiments considered a tensile specimen with a hole at the center of specimen that is either sheared (sheared edge condition or drilled and then reamed (reamed edge condition. The damage mechanism and accumulation in the CP and DP steels were systematically characterized by interrupting the hole tension tests at different strain levels using scanning electron microscope (SEM analysis and optical microscopy. Martensite cracking and decohesion of ferrite-martensite interfaces are the dominant nucleation mechanisms in the DP780. The primary source of void nucleation in the CP800 is nucleation at TiN particles, with secondary void formation at martensite/bainite interfaces near the failure strain. The rate of damage evolution is considerably higher for the sheared edge in contrast with the reamed edge since the shearing process alters the microstructure in the shear affected zone (SAZ by introducing work-hardening and initial damage behind the sheared edge. The CP microstructures were shown to be less prone to shear-induced damage than the DP materials resulting in much higher sheared edge formability. Microstructural damage in the CP and DP steels was characterized to understand the interaction between microstructure, damage evolution and edge formability during edge stretching. An analytical model for void evolution and coalescence was developed and applied to predict the damage rate in these rather diverse microstructures.

  13. Damage Evolution in Complex-Phase and Dual-Phase Steels during Edge Stretching.

    Science.gov (United States)

    Pathak, Nikky; Butcher, Cliff; Worswick, Michael James; Bellhouse, Erika; Gao, Jeff

    2017-03-27

    The role of microstructural damage in controlling the edge stretchability of Complex-Phase (CP) and Dual-Phase (DP) steels was evaluated using hole tension experiments. The experiments considered a tensile specimen with a hole at the center of specimen that is either sheared (sheared edge condition) or drilled and then reamed (reamed edge condition). The damage mechanism and accumulation in the CP and DP steels were systematically characterized by interrupting the hole tension tests at different strain levels using scanning electron microscope (SEM) analysis and optical microscopy. Martensite cracking and decohesion of ferrite-martensite interfaces are the dominant nucleation mechanisms in the DP780. The primary source of void nucleation in the CP800 is nucleation at TiN particles, with secondary void formation at martensite/bainite interfaces near the failure strain. The rate of damage evolution is considerably higher for the sheared edge in contrast with the reamed edge since the shearing process alters the microstructure in the shear affected zone (SAZ) by introducing work-hardening and initial damage behind the sheared edge. The CP microstructures were shown to be less prone to shear-induced damage than the DP materials resulting in much higher sheared edge formability. Microstructural damage in the CP and DP steels was characterized to understand the interaction between microstructure, damage evolution and edge formability during edge stretching. An analytical model for void evolution and coalescence was developed and applied to predict the damage rate in these rather diverse microstructures.

  14. Use of the Single Particle Soot Photometer (SP2) as a pre-filter for ice nucleation measurements: effect of particle mixing state and determination of SP2 conditions to fully vaporize refractory black carbon

    Science.gov (United States)

    Schill, Gregory P.; DeMott, Paul J.; Levin, Ezra J. T.; Kreidenweis, Sonia M.

    2018-05-01

    Ice nucleation is a fundamental atmospheric process that impacts precipitation, cloud lifetimes, and climate. Challenges remain to identify and quantify the compositions and sources of ice-nucleating particles (INPs). Assessment of the role of black carbon (BC) as an INP is particularly important due to its anthropogenic sources and abundance at upper-tropospheric cloud levels. The role of BC as an INP, however, is unclear. This is, in part, driven by a lack of techniques that directly determine the contribution of refractory BC (rBC) to INP concentrations. One previously developed technique to measure this contribution uses the Single Particle Soot Photometer (SP2) as a pre-filter to an online ice-nucleating particle counter. In this technique, rBC particles are selectively heated to their vaporization temperature in the SP2 cavity by a 1064 nm laser. From previous work, however, it is unclear under what SP2 conditions, if any, the original rBC particles were fully vaporized. Furthermore, previous work also left questions about the effect of the SP2 laser on the ice-nucleating properties of several INP proxies and their mixtures with rBC.To answer these questions, we sampled the exhaust of an SP2 with a Scanning Mobility Particle Sizer and a Continuous Flow Diffusion Chamber. Using Aquadag® as an rBC proxy, the effect of several SP2 instrument parameters on the size distribution and physical properties of particles in rBC SP2 exhaust were explored. We found that a high SP2 laser power (930 nW/(220 nm PSL)) is required to fully vaporize a ˜ 0.76 fg rBC particle. We also found that the exhaust particle size distribution is minimally affected by the SP2 sheath-to-sample ratio; the size of the original rBC particle, however, greatly influences the size distribution of the SP2 exhaust. The effect of the SP2 laser on the ice nucleation efficiency of Snomax®, NX-illite, and Suwannee River Fulvic Acid was studied; these particles acted as proxies for biological, illite

  15. Magnetism of zigzag edge phosphorene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Zhili, E-mail: zlzhu@zzu.edu.cn, E-mail: jiayu@zzu.edu.cn; Li, Chong; Yu, Weiyang; Chang, Dahu; Sun, Qiang; Jia, Yu, E-mail: zlzhu@zzu.edu.cn, E-mail: jiayu@zzu.edu.cn [International Joint Research Laboratory for Quantum Functional Materials of Henan, and School of Physics and Engineering, Zhengzhou University, Zhengzhou 450001 (China)

    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.

  16. Nucleation at high pressure I: Theoretical considerations.

    NARCIS (Netherlands)

    Luijten, C.C.M.; Dongen, van M.E.H.

    1999-01-01

    A theoretical approach is presented that accounts for the influence of high pressure background gases on the vapor-to-liquid nucleation process. The key idea is to treat the carrier gas pressure as a perturbation parameter that modifies the properties of the nucleating substance. Two important

  17. Simple improvements to classical bubble nucleation models.

    Science.gov (United States)

    Tanaka, Kyoko K; Tanaka, Hidekazu; Angélil, Raymond; Diemand, Jürg

    2015-08-01

    We revisit classical nucleation theory (CNT) for the homogeneous bubble nucleation rate and improve the classical formula using a correct prefactor in the nucleation rate. Most of the previous theoretical studies have used the constant prefactor determined by the bubble growth due to the evaporation process from the bubble surface. However, the growth of bubbles is also regulated by the thermal conduction, the viscosity, and the inertia of liquid motion. These effects can decrease the prefactor significantly, especially when the liquid pressure is much smaller than the equilibrium one. The deviation in the nucleation rate between the improved formula and the CNT can be as large as several orders of magnitude. Our improved, accurate prefactor and recent advances in molecular dynamics simulations and laboratory experiments for argon bubble nucleation enable us to precisely constrain the free energy barrier for bubble nucleation. Assuming the correction to the CNT free energy is of the functional form suggested by Tolman, the precise evaluations of the free energy barriers suggest the Tolman length is ≃0.3σ independently of the temperature for argon bubble nucleation, where σ is the unit length of the Lennard-Jones potential. With this Tolman correction and our prefactor one gets accurate bubble nucleation rate predictions in the parameter range probed by current experiments and molecular dynamics simulations.

  18. Nucleation in an ultra low ionisation environment

    DEFF Research Database (Denmark)

    Enghoff, Martin Andreas Bødker

    in aerosol nucleation. By exposing a controlled volume of air to varying levels of ionising radiation, and with the minimum ionisation level vastly reduced compared to normal surface laboratory conditions, we have provided both a validation of earlier studies of ion-induced nucleation and extended...

  19. Tuning Ice Nucleation with Supercharged Polypeptides

    NARCIS (Netherlands)

    Yang, Huige; Ma, Chao; Li, Kaiyong; Liu, Kai; Loznik, Mark; Teeuwen, Rosalie; van Hest, Jan C. M.; Zhou, Xin; Herrmann, Andreas; Wang, Jianjun

    2016-01-01

    Supercharged unfolded polypeptides (SUPs) are exploited for controlling ice nucleation via tuning the nature of charge and charge density of SUPs. The results show that positively charged SUPs facilitate ice nucleation, while negatively charged ones suppress it. Moreover, the charge density of the

  20. Edge remap for solids

    Energy Technology Data Exchange (ETDEWEB)

    Kamm, James R.; Love, Edward; Robinson, Allen C; Young, Joseph G.; Ridzal, Denis

    2013-12-01

    We review the edge element formulation for describing the kinematics of hyperelastic solids. This approach is used to frame the problem of remapping the inverse deformation gradient for Arbitrary Lagrangian-Eulerian (ALE) simulations of solid dynamics. For hyperelastic materials, the stress state is completely determined by the deformation gradient, so remapping this quantity effectively updates the stress state of the material. A method, inspired by the constrained transport remap in electromagnetics, is reviewed, according to which the zero-curl constraint on the inverse deformation gradient is implicitly satisfied. Open issues related to the accuracy of this approach are identified. An optimization-based approach is implemented to enforce positivity of the determinant of the deformation gradient. The efficacy of this approach is illustrated with numerical examples.

  1. Damage instability and Earthquake nucleation

    Science.gov (United States)

    Ionescu, I. R.; Gomez, Q.; Campillo, M.; Jia, X.

    2017-12-01

    Earthquake nucleation (initiation) is usually associated to the loss of the stability of the geological structure under a slip-weakening friction acting on the fault. The key parameters involved in the stability of the fault are the stress drop, the critical slip distance but also the elastic stiffness of the surrounding materials (rocks). We want to explore here how the nucleation phenomena are correlated to the material softening during damage accumulation by dynamic and/or quasi-static processes. Since damage models are describing micro-cracks growth, which is generally an unstable phenomenon, it is natural to expect some loss of stability on the associated micro-mechanics based models. If the model accurately captures the material behavior, then this can be due to the unstable nature of the brittle material itself. We obtained stability criteria at the microscopic scale, which are related to a large class of damage models. We show that for a given continuous strain history the quasi-static or dynamic problems are instable or ill-posed (multiplicity of material responses) and whatever the selection rule is adopted, shocks (time discontinuities) will occur. We show that the quasi-static equilibria chosen by the "perfect delay convention" is always stable. These stability criteria are used to analyze how NIC (Non Interacting Crack) effective elasticity associated to "self similar growth" model work in some special configurations (one family of micro-cracks in mode I, II and III and in plane strain or plain stress). In each case we determine a critical crack density parameter and critical micro-crack radius (length) which distinguish between stable and unstable behaviors. This critical crack density depends only on the chosen configuration and on the Poisson ratio.

  2. Chemically assisted crack nucleation in zircaloy

    International Nuclear Information System (INIS)

    Williford, R.E.

    1985-01-01

    Stress corrosion cracking models (proposed to explain fuel rod failures) generally address crack propagation and cladding rupture, but frequently neglect the necessary nucleation stage for microcracks small enough to violate fracture mechanics continuum requirements. Intergranular microcrack nucleation was modeled with diffusion-controlled grain-boundary cavitation concepts, including the effects of metal embrittlement by iodine species. Computed microcrack nucleation times and strains agree with experimental observation, but the predicted grain-boundary cavities are so small that detection may be difficult. Without a protective oxide film intergranular microcracks can nucleate within 30 s at even low stresses when the embrittler concentration exceeds a threshold value. Indications were found that intergranular microcrack nucleation may be caused by combined corrosive and embrittlement phenomena. (orig.)

  3. Role of stacking disorder in ice nucleation.

    Science.gov (United States)

    Lupi, Laura; Hudait, Arpa; Peters, Baron; Grünwald, Michael; Gotchy Mullen, Ryan; Nguyen, Andrew H; Molinero, Valeria

    2017-11-08

    The freezing of water affects the processes that determine Earth's climate. Therefore, accurate weather and climate forecasts hinge on good predictions of ice nucleation rates. Such rate predictions are based on extrapolations using classical nucleation theory, which assumes that the structure of nanometre-sized ice crystallites corresponds to that of hexagonal ice, the thermodynamically stable form of bulk ice. However, simulations with various water models find that ice nucleated and grown under atmospheric temperatures is at all sizes stacking-disordered, consisting of random sequences of cubic and hexagonal ice layers. This implies that stacking-disordered ice crystallites either are more stable than hexagonal ice crystallites or form because of non-equilibrium dynamical effects. Both scenarios challenge central tenets of classical nucleation theory. Here we use rare-event sampling and free energy calculations with the mW water model to show that the entropy of mixing cubic and hexagonal layers makes stacking-disordered ice the stable phase for crystallites up to a size of at least 100,000 molecules. We find that stacking-disordered critical crystallites at 230 kelvin are about 14 kilojoules per mole of crystallite more stable than hexagonal crystallites, making their ice nucleation rates more than three orders of magnitude higher than predicted by classical nucleation theory. This effect on nucleation rates is temperature dependent, being the most pronounced at the warmest conditions, and should affect the modelling of cloud formation and ice particle numbers, which are very sensitive to the temperature dependence of ice nucleation rates. We conclude that classical nucleation theory needs to be corrected to include the dependence of the crystallization driving force on the size of the ice crystallite when interpreting and extrapolating ice nucleation rates from experimental laboratory conditions to the temperatures that occur in clouds.

  4. Molecular nucleation mechanisms and control strategies for crystal polymorph selection

    Science.gov (United States)

    van Driessche, Alexander E. S.; van Gerven, Nani; Bomans, Paul H. H.; Joosten, Rick R. M.; Friedrich, Heiner; Gil-Carton, David; Sommerdijk, Nico A. J. M.; Sleutel, Mike

    2018-04-01

    The formation of condensed (compacted) protein phases is associated with a wide range of human disorders, such as eye cataracts, amyotrophic lateral sclerosis, sickle cell anaemia and Alzheimer’s disease. However, condensed protein phases have their uses: as crystals, they are harnessed by structural biologists to elucidate protein structures, or are used as delivery vehicles for pharmaceutical applications. The physiochemical properties of crystals can vary substantially between different forms or structures (‘polymorphs’) of the same macromolecule, and dictate their usability in a scientific or industrial context. To gain control over an emerging polymorph, one needs a molecular-level understanding of the pathways that lead to the various macroscopic states and of the mechanisms that govern pathway selection. However, it is still not clear how the embryonic seeds of a macromolecular phase are formed, or how these nuclei affect polymorph selection. Here we use time-resolved cryo-transmission electron microscopy to image the nucleation of crystals of the protein glucose isomerase, and to uncover at molecular resolution the nucleation pathways that lead to two crystalline states and one gelled state. We show that polymorph selection takes place at the earliest stages of structure formation and is based on specific building blocks for each space group. Moreover, we demonstrate control over the system by selectively forming desired polymorphs through site-directed mutagenesis, specifically tuning intermolecular bonding or gel seeding. Our results differ from the present picture of protein nucleation, in that we do not identify a metastable dense liquid as the precursor to the crystalline state. Rather, we observe nucleation events that are driven by oriented attachments between subcritical clusters that already exhibit a degree of crystallinity. These insights suggest ways of controlling macromolecular phase transitions, aiding the development of protein

  5. Molecular sizes of lichen ice nucleation sites determined by gamma radiation inactivation analysis

    International Nuclear Information System (INIS)

    Kieft, T.L.; Ruscetti, T.

    1992-01-01

    It has previously been shown that some species of lichen fungi contain proteinaceous ice nuclei which are active at temperatures as warm as −2 °C. This experiment was undertaken to determine the molecular sizes of ice nuclei in the lichen fungus Rhizoplaca chrysoleuca and to compare them to bacterial ice nuclei from Pseudomonas syringae. Gamma radiation inactivation analysis was used to determine molecular weights. Radiation inactivation analysis is based on target theory, which states that the likelihood of a molecule being inactivated by gamma rays increases as its size increases. Three different sources of ice nuclei from the lichen R. chrysoleuca were tested: field-collected lichens, extract of lichen fungus, and a pure culture of the fungus R. chrysoleuca. P. syringae strain Cit7 was used as a source of bacterial ice nuclei. Samples were lyophilized, irradiated with gamma doses ranging from 0 to 10.4 Mrads, and then tested for ice nucleation activity using a droplet-freezing assay. Data for all four types of samples were in rough agreement; sizes of nucleation sites increased logarithmically with increasing temperatures of ice nucleation activity. Molecular weights of nucleation sites active between −3 and −4 °C from the bacteria and from the field-collected lichens were approximately 1.0 × 10 6 Da. Nuclei from the lichen fungus and in the lichen extract appeared to be slightly smaller but followed the same log-normal pattern with temperature of ice nucleation activity. The data for both the bacterial and lichen ice nuclei are in agreement with ice nucleation theory which states that the size of ice nucleation sites increases logarithmically as the temperature of nucleation increases linearly. This suggests that although some differences exist between bacterial and lichen ice nucleation sites, their molecular sizes are quite similar

  6. Heterogeneous nucleation of calcium oxalate on native oxide surfaces

    International Nuclear Information System (INIS)

    Song, L.; Pattillo, M.J.; Graff, G.L.; Campbell, A.A.; Bunker, B.C.

    1994-04-01

    The aqueous deposition of calcium oxalate onto colloidal oxides has been studied as a model system for understanding heterogeneous nucleation processes of importance in biomimetic synthesis of ceramic thin films. Calcium oxalate nucleation has been monitored by measuring induction times for nucleation using Constant Composition techniques and by measuring nucleation densities on extended oxide surfaces using an atomic force microscope. Results show that the dependence of calcium oxalate nucleation on solution supersaturation fits the functional form predicted by classical nucleation theories. Anionic surfaces appear to promote nucleation better than cationic surfaces, lowering the effective energy barrier to heterogeneous nucleation

  7. Nucleation of ripplocations through atomistic modeling of surface nanoindentation in graphite

    Science.gov (United States)

    Freiberg, D.; Barsoum, M. W.; Tucker, G. J.

    2018-05-01

    In this work, we study the nucleation and subsequent evolution behavior of ripplocations - a newly proposed strain accommodating defect in layered materials where one, or more, layers buckle orthogonally to the layers - using atomistic modeling of graphite. To that effect, we model the response to cylindrical indenters with radii R of 50, 100, and 250 nm, loaded edge-on into graphite layers and the strain gradient effects beneath the indenter are quantified. We show that the response is initially elastic followed by ripplocation nucleation, and growth of multiple fully reversible ripplocation boundaries below the indenter. In the elastic region, the stress is found to be a function of indentation volume; beyond the elastic regime, the interlayer strain gradient emerges as paramount in the onset of ripplocation nucleation and subsequent in-plane stress relaxation. Furthermore, ripplocation boundaries that nucleate from the alignment of ripplocations on adjacent layers are exceedingly nonlocal and propagate, wavelike, away from the indented surface. This work not only provides a critical understanding of the mechanistic underpinnings of the deformation of layered solids and formation of kink boundaries, but also provides a more complete description of the nucleation mechanics of ripplocations and their strain field dependence.

  8. Impact of surface nanostructure on ice nucleation.

    Science.gov (United States)

    Zhang, Xiang-Xiong; Chen, Min; Fu, Ming

    2014-09-28

    Nucleation of water on solid surface can be promoted noticeably when the lattice parameter of a surface matches well with the ice structure. However, the characteristic length of the surface lattice reported is generally less than 0.5 nm and is hardly tunable. In this paper, we show that a surface with nanoscale roughness can also remarkably promote ice nucleation if the characteristic length of the surface structure matches well with the ice crystal. A series of surfaces composed of periodic grooves with same depth but different widths are constructed in molecular dynamics simulations. Water cylinders are placed on the constructed surfaces and frozen at constant undercooling. The nucleation rates of the water cylinders are calculated in the simulation using the mean first-passage time method and then used to measure the nucleation promotion ability of the surfaces. Results suggest that the nucleation behavior of the supercooled water is significantly sensitive to the width of the groove. When the width of the groove matches well with the specific lengths of the ice crystal structure, the nucleation can be promoted remarkably. If the width does not match with the ice crystal, this kind of promotion disappears and the nucleation rate is even smaller than that on the smooth surface. Simulations also indicate that even when water molecules are adsorbed onto the surface structure in high-humidity environment, the solid surface can provide promising anti-icing ability as long as the characteristic length of the surface structure is carefully designed to avoid geometric match.

  9. Nucleation behavior of glutathione polymorphs in water

    International Nuclear Information System (INIS)

    Chen, Zhi; Dang, Leping; Li, Shuai; Wei, Hongyuan

    2013-01-01

    Nucleation behavior of glutathione (GSH) polymorphs in water was investigated by experimental method combined with classical nucleation theory. The solubility of α and β forms GSH in water at different temperatures, and the nucleation induction period at various supersaturations and temperatures were determined experimentally. The results show that, in a certain range of supersaturation, the nucleation of β form predominates at relatively higher temperature, while α form will be obtained at lower temperature. The nucleation kinetics parameters of α and β form were then calculated. To understand the crucial role of temperature on crystal forms, “hypothetic” nucleation parameters of β form at 283.15 K were deduced based on extrapolation method. The results show that the interfacial tension, critical free energy, critical nucleus radius and nucleus number of α form are smaller than that of β form in the same condition at 283.15 K, which implies that α form nucleates easier than β form at low temperature. This work may be useful for the control and optimization of GSH crystallization process in industry

  10. Heat transfer enhancement on nucleate boiling

    International Nuclear Information System (INIS)

    Zhuang, M.; Guibai, L.

    1990-01-01

    This paper reports on enhancement of nucleate boiling heat transfer with additives that was investigated experimentally. More than fifteen kinds of additives were chosen and tested. Eight kinds of effective additives which can enhance nucleate boiling heat transfer were selected. Experimental results showed that boiling heat transfer coefficient of water was increased by 1 to 5 times and that of R-113 was increased by 1 to 4 times when trace amount additives were put in the two boiling liquids. There exist optimum concentrations for the additives, respectively, which can enhance nucleate boiling heat transfer rate best. In order to analyze the mechanism of the enhancement of boiling heat transfer with additives, the surface tension and the bubble departure diameter were measured. The nucleation sites were investigated by use of high-speed photograph. Experimental results showed that nucleation sites increase with additive amount increasing and get maximum. Increasing nucleation sites is one of the most important reason why nucleate boiling heat transfer can be enhanced with additives

  11. Nanoindentation near the edge

    Science.gov (United States)

    J.E. Jakes; C.R. Frihart; J.F. Beecher; R.J. Moon; P.J. Resto; Z.H. Melgarejo; O.M. Saurez; H. Baumgart; A.A. Elmustafa; D.S. Stone

    2009-01-01

    Whenever a nanoindent is placed near an edge, such as the free edge of the specimen or heterophase interface intersecting the surface, the elastic discontinuity associated with the edge produces artifacts in the load-depth data. Unless properly handled in the data analysis, the artifacts can produce spurious results that obscure any real trends in properties as...

  12. Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations.

    Science.gov (United States)

    Sosso, Gabriele C; Chen, Ji; Cox, Stephen J; Fitzner, Martin; Pedevilla, Philipp; Zen, Andrea; Michaelides, Angelos

    2016-06-22

    The nucleation of crystals in liquids is one of nature's most ubiquitous phenomena, playing an important role in areas such as climate change and the production of drugs. As the early stages of nucleation involve exceedingly small time and length scales, atomistic computer simulations can provide unique insights into the microscopic aspects of crystallization. In this review, we take stock of the numerous molecular dynamics simulations that, in the past few decades, have unraveled crucial aspects of crystal nucleation in liquids. We put into context the theoretical framework of classical nucleation theory and the state-of-the-art computational methods by reviewing simulations of such processes as ice nucleation and the crystallization of molecules in solutions. We shall see that molecular dynamics simulations have provided key insights into diverse nucleation scenarios, ranging from colloidal particles to natural gas hydrates, and that, as a result, the general applicability of classical nucleation theory has been repeatedly called into question. We have attempted to identify the most pressing open questions in the field. We believe that, by improving (i) existing interatomic potentials and (ii) currently available enhanced sampling methods, the community can move toward accurate investigations of realistic systems of practical interest, thus bringing simulations a step closer to experiments.

  13. A simulation study of homogeneous ice nucleation in supercooled salty water

    Science.gov (United States)

    Soria, Guiomar D.; Espinosa, Jorge R.; Ramirez, Jorge; Valeriani, Chantal; Vega, Carlos; Sanz, Eduardo

    2018-06-01

    We use computer simulations to investigate the effect of salt on homogeneous ice nucleation. The melting point of the employed solution model was obtained both by direct coexistence simulations and by thermodynamic integration from previous calculations of the water chemical potential. Using a seeding approach, in which we simulate ice seeds embedded in a supercooled aqueous solution, we compute the nucleation rate as a function of temperature for a 1.85 NaCl mol per water kilogram solution at 1 bar. To improve the accuracy and reliability of our calculations, we combine seeding with the direct computation of the ice-solution interfacial free energy at coexistence using the Mold Integration method. We compare the results with previous simulation work on pure water to understand the effect caused by the solute. The model captures the experimental trend that the nucleation rate at a given supercooling decreases when adding salt. Despite the fact that the thermodynamic driving force for ice nucleation is higher for salty water for a given supercooling, the nucleation rate slows down with salt due to a significant increase of the ice-fluid interfacial free energy. The salty water model predicts an ice nucleation rate that is in good agreement with experimental measurements, bringing confidence in the predictive ability of the model. We expect that the combination of state-of-the-art simulation methods here employed to study ice nucleation from solution will be of much use in forthcoming numerical investigations of crystallization in mixtures.

  14. Damage nucleation in Si during ion irradiation

    International Nuclear Information System (INIS)

    Holland, O.W.; Fathy, D.; Narayan, J.

    1984-01-01

    Damage nucleation in single crystals of silicon during ion irradiation is investigated. Experimental results and mechanisms for damage nucleation during both room and liquid nitrogen temperature irradiation with different mass ions are discussed. It is shown that the accumulation of damage during room temperature irradiation depends on the rate of implantation. These dose rate effects are found to decrease in magnitude as the mass of the ions is increased. The significance of dose rate effects and their mass dependence on nucleation mechanisms is discussed

  15. Controlled nucleation and crystallization of fluorozirconate glasses

    International Nuclear Information System (INIS)

    Frischat, G.H.

    1993-01-01

    Pt, Se, and Ag, respectively, were used as nucleating agents for a ZrF 4 -BaF 4 -YF 3 -AlF 3 glass. Nucleation and crystal growth rates were determined as a function of experimental conditions. In all cases the bulk crystals mainly consist of β-BaZrF6, leading to a relatively coarse-grained microstructure. However, in the case of Ag used as a nucleating agent, the microstructure is bimodal with an additional fine-grained crystal phase. In the cases of Se and Ag the relative crystal fraction could be developed in a controlled way between 0 and 100%

  16. Viscosity of interfacial water regulates ice nucleation

    International Nuclear Information System (INIS)

    Li, Kaiyong; Chen, Jing; Zhang, Qiaolan; Zhang, Yifan; Xu, Shun; Zhou, Xin; Cui, Dapeng; Wang, Jianjun; Song, Yanlin

    2014-01-01

    Ice formation on solid surfaces is an important phenomenon in many fields, such as cloud formation and atmospheric icing, and a key factor for applications in preventing freezing. Here, we report temperature-dependent nucleation rates of ice for hydrophilic and hydrophobic surfaces. The results show that hydrophilic surface presents a lower ice nucleation rate. We develop a strategy to extract the thermodynamic parameters, J 0 and Γ, in the context of classical nucleation theory. From the extracted J 0 and Γ, we reveal the dominant role played by interfacial water. The results provide an insight into freezing mechanism on solid surfaces

  17. Nanowires and nanoneedles nucleation on vicinal substrate

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xu, E-mail: zhangxubetter@gmail.com [Henan Key Laboratory of Laser and Opto-electric Information Technology, School of Information Engineering, Zhengzhou University, Zhengzhou 450052 (China); Xie, Dan; Huang, Genling [Zhengzhou Railway Vocational and Technical College, Zhengzhou 450052 (China); Sun, Xiao-Hong [Henan Key Laboratory of Laser and Opto-electric Information Technology, School of Information Engineering, Zhengzhou University, Zhengzhou 450052 (China)

    2015-01-01

    An analytic stress-driven nucleation model of nanowires (NWs) and nanoneedles (NNs) growing on a mismatched vicinal substrate is proposed. It is demonstrated that the formation enthalpy of NWs and NNs is a function of three independent variables, the base radius, aspect ratio and miscut angle of the vicinal surface. Theoretical analysis shows that the minimum nucleation barrier of an island decreases with increment of substrate misorientation, which means the nucleation of islands on a vicinal substrate is more favorable than that on a flat substrate.

  18. Determination of the ground state of an Au-supported FePc film based on the interpretation of Fe K - and L -edge x-ray magnetic circular dichroism measurements

    Science.gov (United States)

    Natoli, Calogero R.; Krüger, Peter; Bartolomé, Juan; Bartolomé, Fernando

    2018-04-01

    We determine the magnetic ground state of the FePc molecule on Au-supported thin films based on the observed values of orbital anisotropy and spectroscopic x-ray magnetic circular dichroism (XMCD) measurements at the Fe K and L edges. Starting from ab initio molecular orbital multiplet calculations for the isolated molecule, we diagonalize the spin-orbit interaction in the subspace spanned by the three lowest spin triplet states of 3A2 g and 3Eg symmetry in the presence of a saturating magnetic field at a polar angle θ with respect to the normal to the plane of the film, plus an external perturbation representing the effect of the molecules in the stack on the FePc molecule under consideration. We find that the orbital moment of the ground state strongly depends on the magnetic field direction in agreement with the sum rule analysis of the L23-edge XMCD data. We calculate integrals over the XMCD spectra at the Fe K and L23 edges as used in the sum rules and explicitly show that they agree with the expectation values of the orbital moment and effective spin moment of the ground state. On the basis of this analysis, we can rule out alternative candidates proposed in the literature.

  19. Competing edge networks

    International Nuclear Information System (INIS)

    Parsons, Mark; Grindrod, Peter

    2012-01-01

    We introduce a model for a pair of nonlinear evolving networks, defined over a common set of vertices, subject to edgewise competition. Each network may grow new edges spontaneously or through triad closure. Both networks inhibit the other's growth and encourage the other's demise. These nonlinear stochastic competition equations yield to a mean field analysis resulting in a nonlinear deterministic system. There may be multiple equilibria; and bifurcations of different types are shown to occur within a reduced parameter space. This situation models competitive communication networks such as BlackBerry Messenger displacing SMS; or instant messaging displacing emails. -- Highlights: ► A model for edgewise-competing evolving network pairs is introduced. ► Defined competition equations yield to a mean field analysis. ► Multiple equilibrium states and different bifurcation types can occur. ► The system is sensitive to sparse initial conditions and near unstable equilibriums.

  20. Epitaxial strain relaxation by provoking edge dislocation dipoles

    Science.gov (United States)

    Soufi, A.; El-Hami, K.

    2018-02-01

    Thin solid films have been used in various devices and engineering systems such as rapid development of highly integrated electronic circuits, the use of surface coatings to protect structural materials in high temperature environments, and thin films are integral parts of many micro-electro-mechanical systems designed to serve as sensors, actuators. Among techniques of ultra-thin films deposition, the heteroepitaxial method becomes the most useful at nanoscale level to obtain performed materials in various applications areas. On the other hand, stresses that appeared during the elaboration of thin films could rise deformations and fractures in materials. The key solution to solve this problem at the nanoscale level is the nucleation of interface dislocations from free surfaces. By provoking edge dislocation dipoles we obtained a strain relaxation in thin films. Moreover, the dynamic of nucleation in edge dislocations from free lateral surfaces was also studied.

  1. Object detection using categorised 3D edges

    DEFF Research Database (Denmark)

    Kiforenko, Lilita; Buch, Anders Glent; Bodenhagen, Leon

    2015-01-01

    is made possible by the explicit use of edge categories in the feature descriptor. We quantitatively compare our approach with the state-of-the-art template based Linemod method, which also provides an effective way of dealing with texture-less objects, tests were performed on our own object dataset. Our...... categorisation algorithm for describing objects in terms of its different edge types. Relying on edge information allow our system to deal with objects with little or no texture or surface variation. We show that edge categorisation improves matching performance due to the higher level of discrimination, which...

  2. Gravitationally compact objects as nucleation sites for first-order vacuum phase transitions

    International Nuclear Information System (INIS)

    Samuel, D.A.; Hiscock, W.A.

    1992-01-01

    A characteristic of first-order phase transitions is their ability to be initiated by nucleation sites. In this paper we consider the role that gravitationally compact objects may play as nucleation sites for first-order phase transitions within quantum fields. As the presence of nucleation sites may prevent the onset of supercooling, the existence of nucleation sites for phase transitions within quantum fields may play an important role in some inflationary models of the Universe, in which the Universe is required to exist in a supercooled state for a period of time. In this paper we calculate the Euclidean action for an O(3) bubble nucleating about a gravitationally compact object, taken to be a boson star for simplicity. The gravitational field of the boson star is taken to be a small perturbation on flat space, and the O(3) action is calculated to linear order as a perturbation on the O(4) action. The Euclidean bubble profile is found by solving the (Higgs) scalar field equation numerically; the thin-wall approximation is not used. The gravitationally compact objects are found to have the effect of reducing the Euclidean action of the nucleating bubble, as compared to the Euclidean action for the bubble in flat spacetime. The effect is strongest when the size of the gravitationally compact object is comparable to the size of the nucleating bubble. Further, the size of the decrease in action increases as the nucleating ''star'' is made more gravitationally compact. Thus, gravitationally compact objects may play the role of nucleation sites. However, their importance to the process of false-vacuum decay is strongly dependent upon their number density within the Universe

  3. Energetics of dislocation nucleation under a nanoindenter

    International Nuclear Information System (INIS)

    Zhang Chuanli; Xu Guanshui

    2005-01-01

    We present an analysis of dislocation nucleation under an idealized nanoindenter based on the variational boundary integral formulation of the Peierls-Nabarro dislocation model. By solving the embryonic dislocation profiles, corresponding to the relative displacements between the two adjacent atomic layers along the slip plane, we have determined the critical conditions for athermal dislocation nucleation as well as the activation energies required to thermally activate embryonic dislocations from their stable to unstable saddle point configurations. The effect of the size of the indenter on the energetics of dislocation nucleation is quantitatively characterized. The result is compared with a simplified analysis based on the application of the Rice model for dislocation nucleation at a crack tip

  4. Energetics of dislocation nucleation under a nanoindenter

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Chuanli [College of Mechanical Engineering, Yangtze University, Jingzhou, Hubei 434023 (China); Department of Mechanical Engineering, University of California, Riverside, CA 92521 (United States); Xu Guanshui [Department of Mechanical Engineering, University of California, Riverside, CA 92521 (United States)]. E-mail: guanshui.xu@ucr.edu

    2005-07-25

    We present an analysis of dislocation nucleation under an idealized nanoindenter based on the variational boundary integral formulation of the Peierls-Nabarro dislocation model. By solving the embryonic dislocation profiles, corresponding to the relative displacements between the two adjacent atomic layers along the slip plane, we have determined the critical conditions for athermal dislocation nucleation as well as the activation energies required to thermally activate embryonic dislocations from their stable to unstable saddle point configurations. The effect of the size of the indenter on the energetics of dislocation nucleation is quantitatively characterized. The result is compared with a simplified analysis based on the application of the Rice model for dislocation nucleation at a crack tip.

  5. Stochastic simulation of nucleation in binary alloys

    Science.gov (United States)

    L’vov, P. E.; Svetukhin, V. V.

    2018-06-01

    In this study, we simulate nucleation in binary alloys with respect to thermal fluctuations of the alloy composition. The simulation is based on the Cahn–Hilliard–Cook equation. We have considered the influence of some fluctuation parameters (wave vector cutoff and noise amplitude) on the kinetics of nucleation and growth of minority phase precipitates. The obtained results are validated by the example of iron–chromium alloys.

  6. Grain nucleation and growth during phase transformations

    DEFF Research Database (Denmark)

    Offerman, S.E.; Dijk, N.H. van; Sietsma, J.

    2002-01-01

    of individual grains. Our measurements show that the activation energy for grain nucleation is at least two orders of magnitude smaller than that predicted by thermodynamic models. The observed growth curves of the newly formed grains confirm the parabolic growth model but also show three fundamentally...... different types of growth. Insight into the grain nucleation and growth mechanisms during phase transformations contributes to the development of materials with optimal mechanical properties....

  7. Nucleation versus instability race in strained films

    Science.gov (United States)

    Liu, Kailang; Berbezier, Isabelle; David, Thomas; Favre, Luc; Ronda, Antoine; Abbarchi, Marco; Voorhees, Peter; Aqua, Jean-Noël

    2017-10-01

    Under the generic term "Stranski-Krastanov" are grouped two different growth mechanisms of SiGe quantum dots. They result from the self-organized Asaro-Tiller-Grinfel'd (ATG) instability at low strain, while at high strain, from a stochastic nucleation. While these regimes are well known, we elucidate here the origin of the transition between these two pathways thanks to a joint theoretical and experimental work. Nucleation is described within the master equation framework. By comparing the time scales for ATG instability development and three-dimensional (3D) nucleation onset, we demonstrate that the transition between these two regimes is simply explained by the crossover between their divergent evolutions. Nucleation exhibits a strong exponential deviation at low strain while ATG behaves only algebraically. The associated time scale varies with exp(1 /x4) for nucleation, while it only behaves as 1 /x8 for the ATG instability. Consequently, at high (low) strain, nucleation (instability) occurs faster and inhibits the alternate evolution. It is then this different kinetic evolution which explains the transition from one regime to the other. Such a kinetic view of the transition between these two 3D growth regimes was not provided before. The crossover between nucleation and ATG instability is found to occur both experimentally and theoretically at a Ge composition around 50% in the experimental conditions used here. Varying the experimental conditions and/or the system parameters does not allow us to suppress the transition. This means that the SiGe quantum dots always grow via ATG instability at low strain and nucleation at high strain. This result is important for the self-organization of quantum dots.

  8. New mechanism for bubble nucleation: Classical transitions

    International Nuclear Information System (INIS)

    Easther, Richard; Giblin, John T. Jr; Hui Lam; Lim, Eugene A.

    2009-01-01

    Given a scalar field with metastable minima, bubbles nucleate quantum mechanically. When bubbles collide, energy stored in the bubble walls is converted into kinetic energy of the field. This kinetic energy can facilitate the classical nucleation of new bubbles in minima that lie below those of the 'parent' bubbles. This process is efficient and classical, and changes the dynamics and statistics of bubble formation in models with multiple vacua, relative to that derived from quantum tunneling.

  9. Saturation and nucleation in hot nuclear systems

    International Nuclear Information System (INIS)

    Deangelis, A.R.

    1990-07-01

    We investigate nuclear fragmentation in a supersaturated system using classical nucleation theory. This allows us to go outside the normally applied constraint of chemical equilibrium. The system is governed by a virial equation of state, which we use to find an expression for the density as a function of pressure and temperature. The evolution of the system is discussed in terms of the phase diagram. Corrections are included to account for the droplet surface and all charges contained in the system. Using this model we investigate and discuss the effects of temperature and saturation, and compare the results to those of other models of fragmentation. We also discuss the limiting temperatures of the system for the cases with and without chemical equilibrium. We find that large nuclei will be formed in saturated systems, even above the limiting temperature as previously defined. We also find that saturation and temperature dominate surface and Coulomb effects. The effects are quite large, thus even a qualitative inspection of the yields may give an indication of the conditions during fragmentation

  10. A classical view on nonclassical nucleation.

    Science.gov (United States)

    Smeets, Paul J M; Finney, Aaron R; Habraken, Wouter J E M; Nudelman, Fabio; Friedrich, Heiner; Laven, Jozua; De Yoreo, James J; Rodger, P Mark; Sommerdijk, Nico A J M

    2017-09-19

    Understanding and controlling nucleation is important for many crystallization applications. Calcium carbonate (CaCO 3 ) is often used as a model system to investigate nucleation mechanisms. Despite its great importance in geology, biology, and many industrial applications, CaCO 3 nucleation is still a topic of intense discussion, with new pathways for its growth from ions in solution proposed in recent years. These new pathways include the so-called nonclassical nucleation mechanism via the assembly of thermodynamically stable prenucleation clusters, as well as the formation of a dense liquid precursor phase via liquid-liquid phase separation. Here, we present results from a combined experimental and computational investigation on the precipitation of CaCO 3 in dilute aqueous solutions. We propose that a dense liquid phase (containing 4-7 H 2 O per CaCO 3 unit) forms in supersaturated solutions through the association of ions and ion pairs without significant participation of larger ion clusters. This liquid acts as the precursor for the formation of solid CaCO 3 in the form of vaterite, which grows via a net transfer of ions from solution according to z Ca 2+ + z CO 3 2- → z CaCO 3 The results show that all steps in this process can be explained according to classical concepts of crystal nucleation and growth, and that long-standing physical concepts of nucleation can describe multistep, multiphase growth mechanisms.

  11. An edge pedestal model

    International Nuclear Information System (INIS)

    Stacev, W.M.

    2001-01-01

    A new model for calculation of the gradient scale lengths in the edge pedestal region and of the edge transport barrier width in H-mode tokamak plasmas will be described. Model problem calculations which demonstrate the promise of this model for predicting experimental pedestal properties will be discussed. The density and Prague gradient scale lengths (L) in the edge are calculated from the particle and ion and electron energy radial transport equations, making use of (presumed) known particle and energy fluxes flowing across the edge transport barrier from the core into the SOL and of edge transport coefficients. The average values of the particle and heat fluxes in the edge transport barrier are calculated in terms of the fluxes crossing into the SOL and the atomic physics reaction rates (ionisation, charge-exchange, elastic scattering, impurity radiation) in the edge by integrating the respective transport equations from the pedestal to the separatrix. An important implication of this model is that the pedestal gradient scale lengths depend not just on local pedestal platers properties but also on particle and energy fluxes from the core plasma and on recycling neutral fluxes that penetrate into the plasma edge, both of which in turn depend on the pedestal properties. The MHD edge pressure gradient constraint α≤ α C is used to determine the pressure width of the edge transport barrier, Δ TB = Δ TB (α c ). Three different models for the MHD edge pressure gradient constraint have been investigated: (1) nominal ideal ballooning mode theory, (2) ballooning mode theory taking into account the edge geometry and shear to access He second stability region; and pedestal β-limit theory when the ballooning modes are stabilised by diamagnetic effects. A series of calculations have been made for a DIII-D model problem. The calculated gradient scale lengths and edge transport barrier widths are of the magnitude of values observed experimentally, and certain trends

  12. Heterogeneous ice nucleation of viscous secondary organic aerosol produced from ozonolysis of α-pinene

    Science.gov (United States)

    Ignatius, Karoliina; Kristensen, Thomas B.; Järvinen, Emma; Nichman, Leonid; Fuchs, Claudia; Gordon, Hamish; Herenz, Paul; Hoyle, Christopher R.; Duplissy, Jonathan; Garimella, Sarvesh; Dias, Antonio; Frege, Carla; Höppel, Niko; Tröstl, Jasmin; Wagner, Robert; Yan, Chao; Amorim, Antonio; Baltensperger, Urs; Curtius, Joachim; Donahue, Neil M.; Gallagher, Martin W.; Kirkby, Jasper; Kulmala, Markku; Möhler, Ottmar; Saathoff, Harald; Schnaiter, Martin; Tomé, Antonio; Virtanen, Annele; Worsnop, Douglas; Stratmann, Frank

    2016-05-01

    There are strong indications that particles containing secondary organic aerosol (SOA) exhibit amorphous solid or semi-solid phase states in the atmosphere. This may facilitate heterogeneous ice nucleation and thus influence cloud properties. However, experimental ice nucleation studies of biogenic SOA are scarce. Here, we investigated the ice nucleation ability of viscous SOA particles. The SOA particles were produced from the ozone initiated oxidation of α-pinene in an aerosol chamber at temperatures in the range from -38 to -10 °C at 5-15 % relative humidity with respect to water to ensure their formation in a highly viscous phase state, i.e. semi-solid or glassy. The ice nucleation ability of SOA particles with different sizes was investigated with a new continuous flow diffusion chamber. For the first time, we observed heterogeneous ice nucleation of viscous α-pinene SOA for ice saturation ratios between 1.3 and 1.4 significantly below the homogeneous freezing limit. The maximum frozen fractions found at temperatures between -39.0 and -37.2 °C ranged from 6 to 20 % and did not depend on the particle surface area. Global modelling of monoterpene SOA particles suggests that viscous biogenic SOA particles are indeed present in regions where cirrus cloud formation takes place. Hence, they could make up an important contribution to the global ice nucleating particle budget.

  13. Direct measurement of free-energy barrier to nucleation of crystallites in amorphous silicon thin films

    Science.gov (United States)

    Shi, Frank G.

    1994-01-01

    A method is introduced to measure the free-energy barrier W(sup *), the activation energy, and activation entropy to nucleation of crystallites in amorphous solids, independent of the energy barrier to growth. The method allows one to determine the temperature dependence of W(sup *), and the effect of the preparation conditions of the initial amorphous phase, the dopants, and the crystallization methds on W(sup *). The method is applied to determine the free-energy barrier to nucleation of crystallites in amorphous silicon (a-Si) thin films. For thermally induced nucleation in a-Si thin films with annealing temperatures in the range of from 824 to 983 K, the free-energy barrier W(sup *) to nucleation of silicon crystals is about 2.0 - 2.1 eV regardless of the preparation conditions of the films. The observation supports the idea that a-Si transforms into an intermediate amorphous state through the structural relaxation prior to the onset of nucleation of crystallites in a-Si. The observation also indicates that the activation entropy may be an insignificant part of the free-energy barrier for the nucleation of crystallites in a-Si. Compared with the free-energy barrier to nucleation of crystallites in undoped a-Si films, a significant reduction is observed in the free-energy barrier to nucleation in Cu-doped a-Si films. For a-Si under irradiation of Xe(2+) at 10(exp 5) eV, the free-energy barrier to ion-induced nucleation of crystallites is shown to be about half of the value associated with thermal-induced nucleation of crystallites in a-Si under the otherwise same conditions, which is much more significant than previously expected. The present method has a general kinetic basis; it thus should be equally applicable to nucleation of crystallites in any amorphous elemental semiconductors and semiconductor alloys, metallic and polymeric glasses, and to nucleation of crystallites in melts and solutions.

  14. Spatiotemporal complexity of 2-D rupture nucleation process observed by direct monitoring during large-scale biaxial rock friction experiments

    Science.gov (United States)

    Fukuyama, Eiichi; Tsuchida, Kotoyo; Kawakata, Hironori; Yamashita, Futoshi; Mizoguchi, Kazuo; Xu, Shiqing

    2018-05-01

    We were able to successfully capture rupture nucleation processes on a 2-D fault surface during large-scale biaxial friction experiments using metagabbro rock specimens. Several rupture nucleation patterns have been detected by a strain gauge array embedded inside the rock specimens as well as by that installed along the edge walls of the fault. In most cases, the unstable rupture started just after the rupture front touched both ends of the rock specimen (i.e., when rupture front extended to the entire width of the fault). In some cases, rupture initiated at multiple locations and the rupture fronts coalesced to generate unstable ruptures, which could only be detected from the observation inside the rock specimen. Therefore, we need to carefully examine the 2-D nucleation process of the rupture especially when analyzing the data measured only outside the rock specimen. At least the measurements should be done at both sides of the fault to identify the asymmetric rupture propagation on the fault surface, although this is not perfect yet. In the present experiment, we observed three typical types of the 2-D rupture propagation patterns, two of which were initiated at a single location either close to the fault edge or inside the fault. This initiation could be accelerated by the free surface effect at the fault edge. The third one was initiated at multiple locations and had a rupture coalescence at the middle of the fault. These geometrically complicated rupture initiation patterns are important for understanding the earthquake nucleation process in nature.

  15. Interaction Heterogeneity can Favorably Impact Colloidal Crystal Nucleation

    Science.gov (United States)

    Jenkins, Ian C.; Crocker, John C.; Sinno, Talid

    2017-10-01

    Colloidal particles with short-ranged attractions, e.g., micron-scale spheres functionalized with single-stranded DNA oligomers, are susceptible to becoming trapped in disordered configurations even when a crystalline arrangement is the ground state. Moreover, for reasons that are not well understood, seemingly minor variations in the particle formulation can lead to dramatic changes in the crystallization outcome. We demonstrate, using a combination of equilibrium and nonequilibrium computer simulations, that interaction heterogeneity—variations in the energetic interactions among different particle pairs in the population—may favorably impact crystal nucleation. Specifically, interaction heterogeneity is found to lower the free energy barrier to nucleation via the formation of clusters comprised preferentially of strong-binding particle pairs. Moreover, gelation is inhibited by "spreading out over time" the nucleation process, resulting in a reduced density of stable nuclei, allowing each to grow unhindered and larger. Our results suggest a simple and robust approach for enhancing colloidal crystallization near the "sticky sphere" limit, and support the notion that differing extents of interaction heterogeneity arising from various particle functionalization protocols may contribute to the otherwise unexplained variations in crystallization outcomes reported in the literature.

  16. Scanning tunneling microscopy and spectroscopy studies of graphite edges

    International Nuclear Information System (INIS)

    Niimi, Y.; Matsui, T.; Kambara, H.; Tagami, K.; Tsukada, M.; Fukuyama, Hiroshi

    2005-01-01

    We studied experimentally and theoretically the electronic local density of states (LDOS) near single-step edges at the surface of exfoliated graphite. In scanning tunneling microscopy measurements, we observed the (3x3)R30 o and honeycomb superstructures extending over 3-4-bar nm both from the zigzag and armchair edges. Calculations based on a density-functional-derived non-orthogonal tight-binding model show that these superstructures can coexist if the two types of edges admix each other in real graphite step edges. Scanning tunneling spectroscopy measurements near the zigzag edge reveal a clear peak in the LDOS at an energy below the Fermi energy by 20-bar meV. No such a peak was observed near the armchair edge. We concluded that this peak corresponds to the 'edge state' theoretically predicted for graphene ribbons, since a similar prominent LDOS peak due to the edge state is obtained by the first principles calculations

  17. Latent heat transport and microlayer evaporation in nucleate boiling

    International Nuclear Information System (INIS)

    Jawurek, H.H.

    1977-08-01

    Part 1 of this work provides a broad overview and, where possible, a quantitative assessment of the complex physical processes which together constitute the mechanism of nucleate boiling heat transfer. It is shown that under a wide range of conditions the primary surface-to-liquid heat flows within an area of bubble influence are so redistributed as to manifest themselves predominantly as latent heat transport, that is, as vaporisation into attached bubbles. Part 2 deals in greater detail with one of the component processes of latent heat transport, namely microlayer evaporation. A literature review reveals the need for synchronised records of microlayer geometry versus time and of normal bubble growth and departure. An apparatus developed to provide such records is described. High-speed cine interference photography from beneath and through a transparent heating surface provided details of microlayer geometry and an image reflection system synchronised these records with the bubble profile views. Results are given for methanol and ethanol boiling at sub-atmospheric pressures and at various heat fluxes and bulk subcoolings. In all cases it is found that microlayers were of sub-micron thickness, that microlayer thinning was restricted to the inner layer edge (with the thickness elsewhere remaining constant or increasing with time) and that the contribution of this visible evaporation to the total vapour flow into bubbles was negligible. The observation of thickening towards the outer microlayer edge, however, demonstrates that a liquid replenishment flow occurred simultaneously with the evaporation process

  18. Using rheometry for determining nucleation density in colored system containing a nucleation agent

    NARCIS (Netherlands)

    Ma, Z.; Steenbakkers, R.J.A.; Giboz, J.; Peters, G.W.M.

    2011-01-01

    A new suspension-based rheological method was applied to study experimentally the crystallization of a nucleating agent (NA) filled isotactic polypropylene. This method allows for determination of point-nucleation densities where other methods fail. For example, optical microscopy can fail because

  19. Vapour–to–liquid nucleation: Nucleation theorems for nonisothermal–nonideal case

    Energy Technology Data Exchange (ETDEWEB)

    Malila, J.; McGraw, R.; Napari, I.; Laaksonen, A.

    2010-08-29

    Homogeneous vapour-to-liquid nucleation, a basic process of aerosol formation, is often considered as a type example of nucleation phenomena, while most treatment of the subject introduce several simplifying assumptions (ideal gas phase, incompressible nucleus, isothermal kinetics, size-independent surface free energy...). During last decades, nucleation theorems have provided new insights into properties of critical nuclei facilitating direct comparison between laboratory experiments and molecular simulations. These theorems are, despite of their generality, often applied in forms where the aforementioned assumptions are made. Here we present forms of nucleation theorems that explicitly take into account these effects and allow direct estimation of their importance. Only assumptions are Arrhenius-type kinetics of nucleation process and exclusion carrier gas molecules from the critical nucleus.

  20. Microtubule nucleation and organization in dendrites

    Science.gov (United States)

    Delandre, Caroline; Amikura, Reiko; Moore, Adrian W.

    2016-01-01

    ABSTRACT Dendrite branching is an essential process for building complex nervous systems. It determines the number, distribution and integration of inputs into a neuron, and is regulated to create the diverse dendrite arbor branching patterns characteristic of different neuron types. The microtubule cytoskeleton is critical to provide structure and exert force during dendrite branching. It also supports the functional requirements of dendrites, reflected by differential microtubule architectural organization between neuron types, illustrated here for sensory neurons. Both anterograde and retrograde microtubule polymerization occur within growing dendrites, and recent studies indicate that branching is enhanced by anterograde microtubule polymerization events in nascent branches. The polarities of microtubule polymerization events are regulated by the position and orientation of microtubule nucleation events in the dendrite arbor. Golgi outposts are a primary microtubule nucleation center in dendrites and share common nucleation machinery with the centrosome. In addition, pre-existing dendrite microtubules may act as nucleation sites. We discuss how balancing the activities of distinct nucleation machineries within the growing dendrite can alter microtubule polymerization polarity and dendrite branching, and how regulating this balance can generate neuron type-specific morphologies. PMID:27097122

  1. Modelling the stochastic behaviour of primary nucleation.

    Science.gov (United States)

    Maggioni, Giovanni Maria; Mazzotti, Marco

    2015-01-01

    We study the stochastic nature of primary nucleation and how it manifests itself in a crystallisation process at different scales and under different operating conditions. Such characteristics of nucleation are evident in many experiments where detection times of crystals are not identical, despite identical experimental conditions, but instead are distributed around an average value. While abundant experimental evidence has been reported in the literature, a clear theoretical understanding and an appropriate modelling of this feature is still missing. In this contribution, we present two models describing a batch cooling crystallisation, where the interplay between stochastic nucleation and deterministic crystal growth is described differently in each. The nucleation and growth rates of the two models are estimated by a comprehensive set of measurements of paracetamol crystallisation from aqueous solution in a 1 mL vessel [Kadam et al., Chemical Engineering Science, 2012, 72, 10-19]. Both models are applied to the cooling crystallisation process above under different operating conditions, i.e. different volumes, initial concentrations, cooling rates. The advantages and disadvantages of the two approaches are illustrated and discussed, with particular reference to their use across scales of nucleation rate measured in very small crystallisers.

  2. Ice nucleation rates near ˜225 K

    Science.gov (United States)

    Amaya, Andrew J.; Wyslouzil, Barbara E.

    2018-02-01

    We have measured the ice nucleation rates, Jice, in supercooled nano-droplets with radii ranging from 6.6 nm to 10 nm and droplet temperatures, Td, ranging from 225 K to 204 K. The initial temperature of the 10 nm water droplets is ˜250 K, i.e., well above the homogeneous nucleation temperature for micron sized water droplets, TH ˜235 K. The nucleation rates increase systematically from ˜1021 cm-3 s-1 to ˜1022 cm-3 s-1 in this temperature range, overlap with the nucleation rates of Manka et al. [Phys. Chem. Chem. Phys. 14, 4505 (2012)], and suggest that experiments with larger droplets would extrapolate smoothly the rates of Hagen et al. [J. Atmos. Sci. 38, 1236 (1981)]. The sharp corner in the rate data as temperature drops is, however, difficult to match with available theory even if we correct classical nucleation theory and the physical properties of water for the high internal pressure of the nanodroplets.

  3. Using the thermal diffusion cloud chamber to study the ion-induced nucleation by radon decay

    International Nuclear Information System (INIS)

    Wu, Yefei.

    1991-01-01

    Thermal diffusion cloud chamber is steady-state device and has been extensively used for nucleation research. In order to study the ion-induced nucleation by radon decay, a new chamber was designed with improved both upper and bottom plates, the system of circulating fluid, the gasketting, the temperature measurement and the insulation. An alternative method of using oxygen as carrier gas was examined. Therefore, the heavy carrier gas including nitrogen, oxygen, neon, argon and air can be used to study radon radiolysis-induced nucleation for the water or organic compounds in the TDCC. The effects of the pressure and temperature ranges on the density, supersaturation, temperature and partial pressure profile for the water-oxygen-helium in the TDCC have been examined. Based on the classical theory, the rate profile of ion-induced nucleation by radon decays was calculated and compared with the homogeneous nucleation. From measured indoor concentrations of Volatile Organic Compounds (VOC), thermodynamic theory models were used to assess the possibility that these compounds will form ultrafine particles in indoor air by ion-induced nucleation. The energy, number of molecules and equilibrium radius of clusters have been calculated based on Such and Thomson theories. These two sets of values have been compared. Ion cluster radii corresponding to 1--3 VOC molecules are in range of 3--5 x 10 -8 cm. 43 refs., 18 figs., 5 tabs

  4. What experiments on pinned nanobubbles can tell about the critical nucleus for bubble nucleation.

    Science.gov (United States)

    Xiao, Qianxiang; Liu, Yawei; Guo, Zhenjiang; Liu, Zhiping; Frenkel, Daan; Dobnikar, Jure; Zhang, Xianren

    2017-12-22

    The process of homogeneous bubble nucleation is almost impossible to probe experimentally, except near the critical point or for liquids under large negative tension. Elsewhere in the phase diagram, the bubble nucleation barrier is so high as to be effectively insurmountable. Consequently, there is a severe lack of experimental studies of homogenous bubble nucleation under conditions of practical importance (e.g., cavitation). Here we use a simple geometric relation to show that we can obtain information about the homogeneous nucleation process from Molecular Dynamics studies of bubble formation in solvophobic nanopores on a solid surface. The free energy of pinned nanobubbles has two extrema as a function of volume: one state corresponds to a free-energy maximum ("the critical nucleus"), the other corresponds to a free-energy minimum (the metastable, pinned nanobubble). Provided that the surface tension does not depend on nanobubble curvature, the radius of the curvature of the metastable surface nanobubble is independent of the radius of the pore and is equal to the radius of the critical nucleus in homogenous bubble nucleation. This observation opens the way to probe the parameters that determine homogeneous bubble nucleation under experimentally accessible conditions, e.g. with AFM studies of metastable nanobubbles. Our theoretical analysis also indicates that a surface with pores of different sizes can be used to determine the curvature corrections to the surface tension. Our conclusions are not limited to bubble nucleation but suggest that a similar approach could be used to probe the structure of critical nuclei in crystal nucleation.

  5. Molecular dynamics studies of crystalline nucleation in one-component Yukawa plasmas

    International Nuclear Information System (INIS)

    Ravelo, R.; Hammerberg, J.E.; Holian, B.L.

    1992-01-01

    We report on molecular dynamics studies of one-component Yukawa plasmas undergoing rapid quenches from a fluid state with a Coulomb parameter Γ = 40 to solid states in the range 350 < Γ < 800. The detailed dynamical structure of ordering appears more complicated than results from classical theories of nucleation, with planar formation being observed before fully 3-dimensional ordering appears

  6. ON THE PRECISION OF THE NUCLEATOR

    Directory of Open Access Journals (Sweden)

    Javier González-Villa

    2017-06-01

    Full Text Available The nucleator is a design unbiased method of local stereology for estimating the volume of a bounded object. The only information required lies in the intersection of the object with an isotropic random ray emanating from a fixed point (called the pivotal point associated with the object. For instance, the volume of a neuron can be estimated from a random ray emanating from its nucleolus. The nucleator is extensively used in biosciences because it is efficient and easy to apply. The estimator variance can be reduced by increasing the number of rays. In an earlier paper a systematic sampling design was proposed, and theoretical variance predictors were derived, for the corresponding volume estimator. Being the only variance predictors hitherto available for the nucleator, our basic goal was to check their statistical performance by means of Monte Carlo resampling on computer reconstructions of real objects. As a plus, the empirical distribution of the volume estimator revealed statistical properties of practical relevance.

  7. Trapping crystal nucleation of cholesterol monohydrate

    DEFF Research Database (Denmark)

    Solomonov, I.; Weygand, M.J.; Kjær, K.

    2005-01-01

    Crystalline nucleation of cholesterol at the air-water interface has been studied via grazing incidence x-ray diffraction using synchrotron radiation. The various stages of cholesterol molecular assembly from monolayer to three bilayers incorporating interleaving hydrogen-bonded water layers......, at least initially, an intralayer cholesterol rearrangement in a single-crystal-to-single-crystal transition. The preferred nucleation of the monoclinic phase of cholesterol . H2O followed by transformation to the stable monohydrate phase may be associated with an energetically more stable cholesterol...... bilayer arrangement of the former and a more favorable hydrogen-bonding arrangement of the latter. The relevance of this nucleation process of cholesterol monohydrate to pathological crystallization of cholesterol from cell biomembranes is discussed....

  8. Effect of Air Injection on Nucleation Rates

    DEFF Research Database (Denmark)

    Capellades Mendez, Gerard; Kiil, Søren; Dam-Johansen, Kim

    2017-01-01

    From disruption of the supersaturated solution to improved mass transfer in the crystallizing suspension, the introduction of a moving gas phase in a crystallizer could lead to improved rates of nucleation and crystal growth. In this work, saturated air has been injected to batch crystallizers...... to study the effects on formation of the first crystal and subsequent turbidity buildup. To account for the typically large sample-to-sample variation, nucleation rates were evaluated for a large number of replicates using probability distributions of induction times. The slope and the intercept...... was reduced from 69 to 13 min, and the mean induction time decreased from 128 to 36 min. The effect on aqueous solutions of l-arginine was less apparent, with a detection delay reduction from 15 to 3 min, and no significant changes on the rate of primary nucleation. These results demonstrate the potential...

  9. A variational approach to nucleation simulation.

    Science.gov (United States)

    Piaggi, Pablo M; Valsson, Omar; Parrinello, Michele

    2016-12-22

    We study by computer simulation the nucleation of a supersaturated Lennard-Jones vapor into the liquid phase. The large free energy barriers to transition make the time scale of this process impossible to study by ordinary molecular dynamics simulations. Therefore we use a recently developed enhanced sampling method [Valsson and Parrinello, Phys. Rev. Lett.113, 090601 (2014)] based on the variational determination of a bias potential. We differ from previous applications of this method in that the bias is constructed on the basis of the physical model provided by the classical theory of nucleation. We examine the technical problems associated with this approach. Our results are very satisfactory and will pave the way for calculating the nucleation rates in many systems.

  10. A parameterization of cloud droplet nucleation

    International Nuclear Information System (INIS)

    Ghan, S.J.; Chuang, C.; Penner, J.E.

    1993-01-01

    Droplet nucleation is a fundamental cloud process. The number of aerosols activated to form cloud droplets influences not only the number of aerosols scavenged by clouds but also the size of the cloud droplets. Cloud droplet size influences the cloud albedo and the conversion of cloud water to precipitation. Global aerosol models are presently being developed with the intention of coupling with global atmospheric circulation models to evaluate the influence of aerosols and aerosol-cloud interactions on climate. If these and other coupled models are to address issues of aerosol-cloud interactions, the droplet nucleation process must be adequately represented. Here we introduce a droplet nucleation parametrization that offers certain advantages over the popular Twomey (1959) parameterization

  11. Heterogeneous nucleation of ice in the atmosphere

    International Nuclear Information System (INIS)

    Nicosia, A; Piazza, M; Santachiara, G; Belosi, F

    2017-01-01

    The occurrence of ice-nucleating aerosols in the atmosphere has a profound impact on the properties of clouds, and in turn, influences our understanding on weather and climate. Research on this topic has grown constantly over the last decades, driven by advances in online and offline instruments capable of measuring the characteristics of these cloud-modifying aerosol particles. This article presents different aspects to the understanding of how aerosol particles can trigger the nucleation of ice in clouds. In addition, we present some experimental results obtained with the Dynamic Filter Processing Chamber, an off-line instrument that has been applied extensively in the last years and that circumvents some of the problems related to the measurement of Ice Nucleating Particles properties. (paper)

  12. An experimental study of dislocation loop nucleation

    International Nuclear Information System (INIS)

    Bounaud, J.Y.; Leteurtre, J.

    1975-01-01

    The nucleation of dislocation loops is experimentally studied by observing the demixion of the Burgers vectors of dislocation loops nucleated in copper whiskers irradiated in flexion by fission fragments at room temperature. The demixion of Burgers vectors is observed by the dimensional effects of dislocation loops: after irradiation, the applied stress is removed; the whisker shows a residual strain that is due to loops because, after an annealing treatment to evaporate dislocation loops, each whisker recovers its initial straight shape. Everywhere along the whisker, the radius of curvature is measured and plotted vs the max. applied stress. Estimations of the interstitial and vacancy dislocation loop nuclei are derived [fr

  13. High performance computations using dynamical nucleation theory

    International Nuclear Information System (INIS)

    Windus, T L; Crosby, L D; Kathmann, S M

    2008-01-01

    Chemists continue to explore the use of very large computations to perform simulations that describe the molecular level physics of critical challenges in science. In this paper, we describe the Dynamical Nucleation Theory Monte Carlo (DNTMC) model - a model for determining molecular scale nucleation rate constants - and its parallel capabilities. The potential for bottlenecks and the challenges to running on future petascale or larger resources are delineated. A 'master-slave' solution is proposed to scale to the petascale and will be developed in the NWChem software. In addition, mathematical and data analysis challenges are described

  14. Crystal nucleation in simple and complex fluids.

    Science.gov (United States)

    Oxtoby, David W

    2003-03-15

    The application of density-functional methods from statistical mechanics to the nucleation of crystals from the melt is described. Simple fluids such as metals, with sizes comparable with the range of their attractive forces, are compared with complex fluids such as colloidal suspensions and proteins dissolved in solution. A different mechanism for crystal nucleation is proposed in the latter case, in which density (concentration) changes before periodic crystalline order appears. This leads to a theoretical foundation for empirical observations on the 'crystallization window' in protein crystallization. Comparisons are made with the results of computer simulation via molecular dynamics.

  15. Using solution- and solid-state S K-edge X-ray absorption spectroscopy with density functional theory to evaluate M-S bonding for MS4(2-) (M = Cr, Mo, W) dianions.

    Science.gov (United States)

    Olson, Angela C; Keith, Jason M; Batista, Enrique R; Boland, Kevin S; Daly, Scott R; Kozimor, Stosh A; MacInnes, Molly M; Martin, Richard L; Scott, Brian L

    2014-12-14

    Herein, we have evaluated relative changes in M-S electronic structure and orbital mixing in Group 6 MS4(2-) dianions using solid- and solution-phase S K-edge X-ray absorption spectroscopy (XAS; M = Mo, W), as well as density functional theory (DFT; M = Cr, Mo, W) and time-dependent density functional theory (TDDFT) calculations. To facilitate comparison with solution measurements (conducted in acetonitrile), theoretical models included gas-phase calculations as well as those that incorporated an acetonitrile dielectric, the latter of which provided better agreement with experiment. Two pre-edge features arising from S 1s → e* and t electron excitations were observed in the S K-edge XAS spectra and were reasonably assigned as (1)A1 → (1)T2 transitions. For MoS4(2-), both solution-phase pre-edge peak intensities were consistent with results from the solid-state spectra. For WS4(2-), solution- and solid-state pre-edge peak intensities for transitions involving e* were equivalent, while transitions involving the t orbitals were less intense in solution. Experimental and computational results have been presented in comparison to recent analyses of MO4(2-) dianions, which allowed M-S and M-O orbital mixing to be evaluated as the principle quantum number (n) for the metal valence d orbitals increased (3d, 4d, 5d). Overall, the M-E (E = O, S) analyses revealed distinct trends in orbital mixing. For example, as the Group 6 triad was descended, e* (π*) orbital mixing remained constant in the M-S bonds, but increased appreciably for M-O interactions. For the t orbitals (σ* + π*), mixing decreased slightly for M-S bonding and increased only slightly for the M-O interactions. These results suggested that the metal and ligand valence orbital energies and radial extensions delicately influenced the orbital compositions for isoelectronic ME4(2-) (E = O, S) dianions.

  16. Edge colouring by total labellings

    DEFF Research Database (Denmark)

    Brandt, Stephan; Rautenbach, D.; Stiebitz, M.

    2010-01-01

    We introduce the concept of an edge-colouring total k-labelling. This is a labelling of the vertices and the edges of a graph G with labels 1, 2, ..., k such that the weights of the edges define a proper edge colouring of G. Here the weight of an edge is the sum of its label and the labels of its...

  17. Glassy aerosols with a range of compositions nucleate ice heterogeneously at cirrus temperatures

    Directory of Open Access Journals (Sweden)

    T. W. Wilson

    2012-09-01

    Full Text Available Atmospheric secondary organic aerosol (SOA is likely to exist in a semi-solid or glassy state, particularly at low temperatures and humidities. Previously, it has been shown that glassy aqueous citric acid aerosol is able to nucleate ice heterogeneously under conditions relevant to cirrus in the tropical tropopause layer (TTL. In this study we test if glassy aerosol distributions with a range of chemical compositions heterogeneously nucleate ice under cirrus conditions. Three single component aqueous solution aerosols (raffinose, 4-hydroxy-3-methoxy-DL-mandelic acid (HMMA and levoglucosan and one multi component aqueous solution aerosol (raffinose mixed with five dicarboxylic acids and ammonium sulphate were studied in both the liquid and glassy states at a large cloud simulation chamber. The investigated organic compounds have similar functionality to oxidised organic material found in atmospheric aerosol and have estimated temperature/humidity induced glass transition thresholds that fall within the range predicted for atmospheric SOA. A small fraction of aerosol particles of all compositions were found to nucleate ice heterogeneously in the deposition mode at temperatures relevant to the TTL (<200 K. Raffinose and HMMA, which form glasses at higher temperatures, nucleated ice heterogeneously at temperatures as high as 214.6 and 218.5 K respectively. We present the calculated ice active surface site density, ns, of the aerosols tested here and also of glassy citric acid aerosol as a function of relative humidity with respect to ice (RHi. We also propose a parameterisation which can be used to estimate heterogeneous ice nucleation by glassy aerosol for use in cirrus cloud models up to ~220 K. Finally, we show that heterogeneous nucleation by glassy aerosol may compete with ice nucleation on mineral dust particles in mid-latitudes cirrus.

  18. Adobe Edge Quickstart Guide

    CERN Document Server

    Labrecque, Joseph

    2012-01-01

    Adobe Edge Quickstart Guide is a practical guide on creating engaging content for the Web with Adobe's newest HTML5 tool. By taking a chapter-by-chapter look at each major aspect of Adobe Edge, the book lets you digest the available features in small, easily understandable chunks, allowing you to start using Adobe Edge for your web design needs immediately. If you are interested in creating engaging motion and interactive compositions using web standards with professional tooling, then this book is for you. Those with a background in Flash Professional wanting to get started quickly with Adobe

  19. Application of nonequilibrium quantum statistical mechanics to homogeneous nucleation

    International Nuclear Information System (INIS)

    Larson, A.R.; Cantrell, C.D.

    1978-01-01

    The master equation for cluster growth and evaporation is derived from many-body quantum mechanics and from a modified version of quantum damping theory used in laser physics. For application to nucleation theory, the quantum damping theory has been generalized to include system and reservoir states that are not separate entities. Formulae for rate constants are obtained. Solutions of the master equation yield equations of state and system-averaged quantities recognized as thermodynamic variables. Formulae for Helmholtz free energies of clusters in a Debye approximation are derived. Coexistence-line equations for pressure volume, and number of clusters are obtained from equations-of-state analysis. Coexistence-line and surface-tension data are used to obtain values of parameters for the Debye approximation. These data are employed in calculating both the nucleation current in diffusion cloud chamber experiments and the onset of condensation in expansion nozzle experiments. Theoretical and experimental results are similar for both cloud-chamber and nozzle experiments, which measure water

  20. Homogeneous nucleation: a problem in nonequilibrium quantum statistical mechanics

    International Nuclear Information System (INIS)

    1978-08-01

    The master equation for cluster growth and evaporation is derived for many-body quantum mechanics and from a modified version of quantum damping theory used in laser physics. For application to nucleation theory, the quantum damping theory is generalized to include system and reservoir states that are not separate entities. Formulas for rate constants are obtained. Solutions of the master equation yield equations of state and system-averaged quantities recognized as thermodynamic variables. Formulas for Helmholtz free energies of clusters in a Debye approximation are derived. Coexistence-line equations for pressure, volume, and number of clusters are obtained from equations-of-state analysis. Coexistence-line and surface-tension data are used to obtain values of parameters for the Debye approximation. These data are employed in calculating both the nucleation current in diffusion cloud chamber experiments and the onset of condensation in expansion nozzle experiments. Theoretical and experimental results are similar for both cloud chamber and nozzle experiments, which measure water. Comparison with other theories reveals that classical theory only accidently agrees with experiment and that the Helmholtz free-energy formula used in the Lothe--Pound theory is incomplete. 27 figures, 3 tables, 149 references

  1. Nucleation of diamond by pure carbon ion bombardment--a transmission electron microscopy study

    International Nuclear Information System (INIS)

    Yao, Y.; Liao, M.Y.; Wang, Z.G.; Lifshitz, Y.; Lee, S.

    2005-01-01

    A cross-sectional high-resolution transmission electron microscopy (HRTEM) study of a film deposited by a 1 keV mass-selected carbon ion beam onto silicon held at 800 deg. C is presented. Initially, a graphitic film with its basal planes perpendicular to the substrate is evolving. The precipitation of nanodiamond crystallites in upper layers is confirmed by HRTEM, selected area electron diffraction, and electron energy loss spectroscopy. The nucleation of diamond on graphitic edges as predicted by Lambrecht et al. [W. R. L. Lambrecht, C. H. Lee, B. Segall, J. C. Angus, Z. Li, and M. Sunkara, Nature, 364 607 (1993)] is experimentally confirmed. The results are discussed in terms of our recent subplantation-based diamond nucleation model

  2. Effect of a Stepped Si(100) Surface on the Nucleation Process of Ge Islands

    Science.gov (United States)

    Yesin, M. Yu.; Nikiforov, A. I.; Timofeev, V. A.; Mashanov, V. I.; Tuktamyshev, A. R.; Loshkarev, I. D.; Pchelyakov, O. P.

    2018-03-01

    Nucleation of Ge islands on a stepped Si(100) surface is studied. It is shown by diffraction of fast electrons that at a temperature of 600°C, constant flux of Si, and deposition rate of 0.652 Å/s, a series of the 1×2 superstructure reflections completely disappears, if the Si (100) substrate deviated by an angle of 0.35° to the (111) face is preliminarily heated to 1000°C. The disappearance of the 1×2 superstructure reflexes is due to the transition from the surface with monoatomic steps to that with diatomic ones. Investigations of the Ge islands' growth were carried out on the Si(100) surface preliminarily annealed at temperatures of 800 and 1000°C. It is shown that the islands tend to nucleate at the step edges.

  3. Physical and chemical characterization of bioaerosols - Implications for nucleation processes

    Science.gov (United States)

    Ariya, P. A.; Sun, J.; Eltouny, N. A.; Hudson, E. D.; Hayes, C. T.; Kos, G.

    The importance of organic compounds in the oxidative capacity of the atmosphere, and as cloud condensation and ice-forming nuclei, has been recognized for several decades. Organic compounds comprise a significant fraction of the suspended matter mass, leading to local (e.g. toxicity, health hazards) and global (e.g. climate change) impacts. The state of knowledge of the physical chemistry of organic aerosols has increased during the last few decades. However, due to their complex chemistry and the multifaceted processes in which they are involved, the importance of organic aerosols, particularly bioaerosols, in driving physical and chemical atmospheric processes is still very uncertain and poorly understood. Factors such as solubility, surface tension, chemical impurities, volatility, morphology, contact angle, deliquescence, wettability, and the oxidation process are pivotal in the understanding of the activation processes of cloud droplets, and their chemical structures, solubilities and even the molecular configuration of the microbial outer membrane, all impact ice and cloud nucleation processes in the atmosphere. The aim of this review paper is to assess the current state of knowledge regarding chemical and physical characterization of bioaerosols with a focus on those properties important in nucleation processes. We herein discuss the potential importance (or lack thereof) of physical and chemical properties of bioaerosols and illustrate how the knowledge of these properties can be employed to study nucleation processes using a modeling exercise. We also outline a list of major uncertainties due to a lack of understanding of the processes involved or lack of available data. We will also discuss key issues of atmospheric significance deserving future physical chemistry research in the fields of bioaerosol characterization and microphysics, as well as bioaerosol modeling. These fundamental questions are to be addressed prior to any definite conclusions on the

  4. NUCLEATION AND THE AUDIO-LINGUAL APPROACH.

    Science.gov (United States)

    BELASCO, SIMON

    IN THE PRE-NUCLEATION STAGE, THE STUDENT IS CONCERNED WITH STORING, OR INTERNALIZING, THREE KINDS OF LANGUAGE PATTERNS--(1) ONE REPRESENTING THE SOUND STRUCTURE, (2) ANOTHER INVOLVING A PORTION OF THE SYNTACTIC STRUCTURE, AND (3) A THIRD--CALLED SANDHI VARIATION--ARISING FROM THE ACCIDENTAL CO-OCCURRENCE OF CERTAIN SOUNDS MAKING UP THE ELEMENTS OF…

  5. Crystal nucleation kinetics in confined systems

    Czech Academy of Sciences Publication Activity Database

    Kožíšek, Zdeněk

    2013-01-01

    Roč. 15, č. 12 (2013), 2269-2274 ISSN 1466-8033 R&D Projects: GA ČR GAP108/12/0891 Institutional support: RVO:68378271 Keywords : nucleation * phase transtion Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.858, year: 2013

  6. The scales of brane nucleation processes

    International Nuclear Information System (INIS)

    Alwis, S.P. de

    2007-01-01

    The scales associated with Brown-Teitelboim-Bousso-Polchinski processes of brane nucleation, which result in changes of the flux parameters and the number of D-branes, are discussed in the context of type IIB models with all moduli stabilized. It is argued that such processes are unlikely to be described by effective field theory

  7. NUCLEATION STUDIES OF GOLD ON CARBON ELECTRODES

    Directory of Open Access Journals (Sweden)

    S. SOBRI

    2008-04-01

    Full Text Available Interest has grown in developing non-toxic electrolytes for gold electrodeposition to replace the conventional cyanide-based bath for long term sustainability of gold electroplating. A solution containing thiosulphate and sulphite has been developed specially for microelectronics applications. However, at the end of the electrodeposition process, the spent electrolyte can contain a significant amount of gold in solution. This study has been initiated to investigate the feasibility of gold recovery from a spent thiosulphate-sulphite electrolyte. We have used flat-plate glassy carbon and graphite electrodes to study the mechanism of nucleation and crystal growth of gold deposition from the spent electrolyte. It was found that at the early stages of reduction process, the deposition of gold on glassy carbon exhibits an instantaneous nucleation of non-overlapping particles. At longer times, the particles begin to overlap and the deposition follows a classic progressive nucleation phenomenon. On the other hand, deposition of gold on graphite does not follow the classical nucleation phenomena.

  8. The ice nucleation activity of extremophilic algae

    Czech Academy of Sciences Publication Activity Database

    Kvíderová, Jana; Hájek, J.; Worland, M. R.

    2013-01-01

    Roč. 34, č. 2 (2013), s. 137-148 ISSN 0143-2044 R&D Projects: GA AV ČR KJB601630808; GA AV ČR KJB600050708 Institutional support: RVO:67985939 Keywords : Ice nucleation * snow algae * lichen photobionts Subject RIV: EF - Botanics Impact factor: 0.640, year: 2013

  9. Temperature Dependence in Homogeneous and Heterogeneous Nucleation

    Energy Technology Data Exchange (ETDEWEB)

    McGraw R. L.; Winkler, P. M.; Wagner, P. E.

    2017-08-01

    Heterogeneous nucleation on stable (sub-2 nm) nuclei aids the formation of atmospheric cloud condensation nuclei (CCN) by circumventing or reducing vapor pressure barriers that would otherwise limit condensation and new particle growth. Aerosol and cloud formation depend largely on the interaction between a condensing liquid and the nucleating site. A new paper published this year reports the first direct experimental determination of contact angles as well as contact line curvature and other geometric properties of a spherical cap nucleus at nanometer scale using measurements from the Vienna Size Analyzing Nucleus Counter (SANC) (Winkler et al., 2016). For water nucleating heterogeneously on silver oxide nanoparticles we find contact angles around 15 degrees compared to around 90 degrees for the macroscopically measured equilibrium angle for water on bulk silver. The small microscopic contact angles can be attributed via the generalized Young equation to a negative line tension that becomes increasingly dominant with increasing curvature of the contact line. These results enable a consistent theoretical description of heterogeneous nucleation and provide firm insight to the wetting of nanosized objects.

  10. Nanoscale-Agglomerate-Mediated Heterogeneous Nucleation.

    Science.gov (United States)

    Cha, Hyeongyun; Wu, Alex; Kim, Moon-Kyung; Saigusa, Kosuke; Liu, Aihua; Miljkovic, Nenad

    2017-12-13

    Water vapor condensation on hydrophobic surfaces has received much attention due to its ability to rapidly shed water droplets and enhance heat transfer, anti-icing, water harvesting, energy harvesting, and self-cleaning performance. However, the mechanism of heterogeneous nucleation on hydrophobic surfaces remains poorly understood and is attributed to defects in the hydrophobic coating exposing the high surface energy substrate. Here, we observe the formation of high surface energy nanoscale agglomerates on hydrophobic coatings after condensation/evaporation cycles in ambient conditions. To investigate the deposition dynamics, we studied the nanoscale agglomerates as a function of condensation/evaporation cycles via optical and field emission scanning electron microscopy (FESEM), microgoniometric contact angle measurements, nucleation statistics, and energy dispersive X-ray spectroscopy (EDS). The FESEM and EDS results indicated that the nanoscale agglomerates stem from absorption of sulfuric acid based aerosol particles inside the droplet and adsorption of volatile organic compounds such as methanethiol (CH 3 SH), dimethyl disulfide (CH 3 SSCH), and dimethyl trisulfide (CH 3 SSSCH 3 ) on the liquid-vapor interface during water vapor condensation, which act as preferential sites for heterogeneous nucleation after evaporation. The insights gained from this study elucidate fundamental aspects governing the behavior of both short- and long-term heterogeneous nucleation on hydrophobic surfaces, suggest previously unexplored microfabrication and air purification techniques, and present insights into the challenges facing the development of durable dropwise condensing surfaces.

  11. Binary nucleation of water and sodium chloride

    Czech Academy of Sciences Publication Activity Database

    Němec, Tomáš; Maršík, František; Palmer, A.

    2006-01-01

    Roč. 124, č. 4 (2006), 0445091-0445096 ISSN 0021-9606 R&D Projects: GA ČR(CZ) GA101/05/2536 Institutional research plan: CEZ:AV0Z20760514 Keywords : binary nucleation * sodium chloride * water Subject RIV: BJ - Thermodynamics Impact factor: 3.166, year: 2006

  12. Adobe Edge Preview 3

    CERN Document Server

    Grover, Chris

    2011-01-01

    Want to use an Adobe tool to design animated web graphics that work on iPhone and iPad? You've come to the right book. Adobe Edge Preview 3: The Missing Manual shows you how to build HTML5 graphics using simple visual tools. No programming experience? No problem. Adobe Edge writes the underlying code for you. With this eBook, you'll be designing great-looking web elements in no time. Get to know the workspace. Learn how Adobe Edge Preview 3 performs its magic.Create and import graphics. Make drawings with Edge's tools, or use art you designed in other programs.Work with text. Build menus, lab

  13. Pavement edge treatment.

    Science.gov (United States)

    2013-01-01

    Four projects were built over two construction seasons using special devices attached to the paving machine that produces a 30 slope on the outside pavement edge instead of the near vertical drop-off common with conventional paving equipment. This ...

  14. submitter Heterogeneous ice nucleation of viscous secondary organic aerosol produced from ozonolysis of α-pinene

    CERN Document Server

    Ignatius, Karoliina; Järvinen, Emma; Nichman, Leonid; Fuchs, Claudia; Gordon, Hamish; Herenz, Paul; Hoyle, Christopher R; Duplissy, Jonathan; Garimella, Sarvesh; Dias, Antonio; Frege, Carla; Höppel, Niko; Tröstl, Jasmin; Wagner, Robert; Yan, Chao; Amorim, Antonio; Baltensperger, Urs; Curtius, Joachim; Donahue, Neil M; Gallagher, Martin W; Kirkby, Jasper; Kulmala, Markku; Möhler, Ottmar; Saathoff, Harald; Schnaiter, Martin; Tomé, Antonio; Virtanen, Annele; Worsnop, Douglas; Stratmann, Frank

    2016-01-01

    There are strong indications that particles containing secondary organic aerosol (SOA) exhibit amorphous solid or semi-solid phase states in the atmosphere. This may facilitate heterogeneous ice nucleation and thus influence cloud properties. However, experimental ice nucleation studies of biogenic SOA are scarce. Here, we investigated the ice nucleation ability of viscous SOA particles. The SOA particles were produced from the ozone initiated oxidation of α-pinene in an aerosol chamber at temperatures in the range from −38 to −10 ◦C at 5–15 % relative humidity with respect to water to ensure their formation in a highly viscous phase state, i.e. semi-solid or glassy. The ice nucleation ability of SOA particles with different sizes was investigated with a new continuous flow diffusion chamber. For the first time, we observed heterogeneous ice nucleation of viscous α-pinene SOA for ice saturation ratios between 1.3 and 1.4 significantly below the homogeneous freezing limit. The maximum frozen fraction...

  15. Cavitation nucleation in gelatin: Experiment and mechanism.

    Science.gov (United States)

    Kang, Wonmo; Adnan, Ashfaq; O'Shaughnessy, Thomas; Bagchi, Amit

    2018-02-01

    Dynamic cavitation in soft materials is becoming increasingly relevant due to emerging medical implications such as the potential of cavitation-induced brain injury or cavitation created by therapeutic medical devices. However, the current understanding of dynamic cavitation in soft materials is still very limited, mainly due to lack of robust experimental techniques. To experimentally characterize cavitation nucleation under dynamic loading, we utilize a recently developed experimental instrument, the integrated drop tower system. This technique allows quantitative measurements of the critical acceleration (a cr ) that corresponds to cavitation nucleation while concurrently visualizing time evolution of cavitation. Our experimental results reveal that a cr increases with increasing concentration of gelatin in pure water. Interestingly, we have observed the distinctive transition from a sharp increase (pure water to 1% gelatin) to a much slower rate of increase (∼10× slower) between 1% and 7.5% gelatin. Theoretical cavitation criterion predicts the general trend of increasing a cr , but fails to explain the transition rates. As a likely mechanism, we consider concentration-dependent material properties and non-spherical cavitation nucleation sites, represented by pre-existing bubbles in gels, due to possible interplay between gelatin molecules and nucleation sites. This analysis shows that cavitation nucleation is very sensitive to the initial configuration of a bubble, i.e., a non-spherical bubble can significantly increase a cr . This conclusion matches well with the experimentally observed liquid-to-gel transition in the critical acceleration for cavitation nucleation. From a medical standpoint, understanding dynamic cavitation within soft materials, i.e., tissues, is important as there are both potential injury implications (blast-induced cavitation within the brain) as well as treatments utilizing the phenomena (lithotripsy). In this regard, the main

  16. Role of edges in the electronic and magnetic structures of nanographene

    International Nuclear Information System (INIS)

    Enoki, Toshiaki

    2012-01-01

    In graphene edges or nanographene, the presence of edges strongly affects the electronic structure depending on their edge shape (zigzag and armchair edges) as observed with the electron wave interference and the creation of non-bonding π-electron state (edge state). We investigate the edge-inherent electronic features and the magnetic properties of edge-sate spins in nanographene/graphene edges. Graphene nanostructures are fabricated by heat-induced conversion/fabrication of nanodiamond particles/graphite step edges; single-layer nanographene islands (mean size 10 nm) and armchair-edged nanographene ribbons (width 8 nm). Scanning tunneling microscopy (STM)/scanning tunneling spectroscopy observations demonstrate that edge states are created in zigzag edges in spite of the absence of such states in armchair edges. In addition, zigzag edges tend to be short and defective, whereas armchair edges are long and continuous in general. These findings suggest that a zigzag edge has lower aromatic stability than an armchair edge, consistent with Clar's aromatic sextet rule. The manner in which electron wave scattering takes place is different between zigzag and armchair edges. In the vicinity of an armchair edge, a honeycomb superlattice is observed in STM images together with a fine structure of threefold symmetry, in spite of the (√3×√3 )R30 o superlattice at a zigzag edge. The honeycomb lattice is a consequence of the intervalley K-K' transition that accompanies the electron wave interference taking place at the armchair edge. The Raman G-band is also affected by the interference, showing polarization angle dependence specifically at armchair edges. The magnetism of a three-dimensional disordered network of nanographene sheets is understood on the basis of the ferrimagnetic structure of the edge-state spins in individual constituent nanographene sheets. The strengthening of the inter-nanographene-sheet magnetic interaction brings about a spin glass state.

  17. Edge Simulation Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Krasheninnikov, Sergei I. [Univ. of California, San Diego, CA (United States); Angus, Justin [Univ. of California, San Diego, CA (United States); Lee, Wonjae [Univ. of California, San Diego, CA (United States)

    2018-01-05

    The goal of the Edge Simulation Laboratory (ESL) multi-institutional project is to advance scientific understanding of the edge plasma region of magnetic fusion devices via a coordinated effort utilizing modern computing resources, advanced algorithms, and ongoing theoretical development. The UCSD team was involved in the development of the COGENT code for kinetic studies across a magnetic separatrix. This work included a kinetic treatment of electrons and multiple ion species (impurities) and accurate collision operators.

  18. Presheath profiles in simulated tokamak edge plasmas

    International Nuclear Information System (INIS)

    LaBombard, B.; Conn, R.W.; Hirooka, Y.; Lehmer, R.; Leung, W.K.; Nygren, R.E.; Ra, Y.; Tynan, G.

    1988-04-01

    The PISCES plasma surface interaction facility at UCLA generates plasmas with characteristics similar to those found in the edge plasmas of tokamaks. Steady state magnetized plasmas produced by this device are used to study plasma-wall interaction phenomena which are relevant to tokamak devices. We report here progress on some detailed investigations of the presheath region that extends from a wall surface into these /open quotes/simulated tokamak/close quotes/ edge plasma discharges along magnetic field lines

  19. Role of Dynamic Nucleation at Moving Boundaries in Phase and Microstructure Selection

    Science.gov (United States)

    Karma, Alain; Trivedi, Rohit

    1999-01-01

    Solidification microstructures that form under steady-state growth conditions (cells, dendrites, regular eutectics, etc.) are reasonably well understood in comparison to other, more complex microstructures, which form under intrinsically non-steady-state growth conditions due to the competition between the nucleation and growth of several phases. Some important practical examples in this latter class include microstructures forming in peritectic systems in highly undercooled droplets, and in strip cast stainless steels. Prediction of phase and microstructure selection in these systems has been traditionally based on (1) heterogeneous nucleation on a static interface, and (2) comparing the relative growth rate of different phase/microstructures under steady-state growth conditions. The formation of new phases, however, occurs via nucleation on, or ahead of, a moving boundary. In addition, the actual selection process is controlled by a complex interaction between the nucleation process and the growth competition between the nuclei and the pre-existing phase under non-steady-state conditions. As a result, it is often difficult to predict which microstructure will form and which phases will be selected under prescribed processing conditions. This research addresses this critical role of nucleation at moving boundaries in the selection of phases and solidification microstructures through quantitative experiments and numerical modeling in peritectic systems. In order to create a well characterized system in which to study this problem, we focus on the directional solidification of hypo- and hyper-peritectic alloys in the two-phase region, imposing a large enough ratio of temperature gradient/growth rate (G/V(sub p)) to suppress the morphological instability of both the parent (alpha) and peritectic (Beta) phases, i.e. each phase alone would grow as a planar front. Our combined experimental and theoretical results show that, already in this simplified case, the growth

  20. Surface and in-depth characterization of lithium-ion battery cathodes at different cycle states using confocal micro-X-ray fluorescence-X-ray absorption near edge structure analysis

    International Nuclear Information System (INIS)

    Menzel, Magnus; Schlifke, Annalena; Falk, Mareike; Janek, Jürgen; Fröba, Michael; Fittschen, Ursula Elisabeth Adriane

    2013-01-01

    The cathode material LiNi 0.5 Mn 1.5 O 4 for lithium-ion batteries has been studied with confocal micro-X-ray fluorescence (CMXRF) combined with X-ray absorption near edge structure (XANES) at the Mn-K edge and the Ni-K edge. This technique allows for a non-destructive, spatially resolved (x, y and z) investigation of the oxidation states of surface areas and to some extent of deeper layers of the electrode. Until now CMXRF-XANES has been applied to a limited number of applications, mainly geo-science. Here, we introduce this technique to material science applications and show its performance to study a part of a working system. A novel mesoporous LiNi 0.5 Mn 1.5 O 4 material was cycled (charged and discharged) to investigate the effects on the oxidation states at the cathode/electrolyte interface. With this approach the degradation of Mn 3+ to Mn 4+ only observable at the surface of the electrode could be directly shown. The spatially resolved non-destructive analysis provides knowledge helpful for further understanding of deterioration and the development of high voltage battery materials, because of its nondestructive nature it will be also suitable to monitor processes during battery cycling. - Highlights: • The potential of confocal micro-XRF-XANES for spatial resolved species analysis in a part of a working system is shown. • The spatial resolution enables differentiation of the oxidized interface from deeper layers. • With the analytical technique confocal micro-XRF-XANES 3D in-situ analyses of working systems are feasible. • The multidimensional and nondestructive analysis of Li-ion battery cathodes is shown. • The analysis will allow for a deeper understanding of processes at interfaces in battery science and others

  1. Surface and in-depth characterization of lithium-ion battery cathodes at different cycle states using confocal micro-X-ray fluorescence-X-ray absorption near edge structure analysis

    Energy Technology Data Exchange (ETDEWEB)

    Menzel, Magnus; Schlifke, Annalena [Institut für Anorganische und Angewandte Chemie, Universität Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg (Germany); Falk, Mareike; Janek, Jürgen [Physikalisch-Chemisches Institut, Justus-Liebig-Universität Gießen, Heinrich-Buff-Ring 58, 35392 Gießen (Germany); Fröba, Michael, E-mail: froeba@chemie.uni-hamburg.de [Institut für Anorganische und Angewandte Chemie, Universität Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg (Germany); Fittschen, Ursula Elisabeth Adriane, E-mail: ursula.fittschen@chemie.uni-hamburg.de [Institut für Anorganische und Angewandte Chemie, Universität Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg (Germany)

    2013-07-01

    The cathode material LiNi{sub 0.5}Mn{sub 1.5}O{sub 4} for lithium-ion batteries has been studied with confocal micro-X-ray fluorescence (CMXRF) combined with X-ray absorption near edge structure (XANES) at the Mn-K edge and the Ni-K edge. This technique allows for a non-destructive, spatially resolved (x, y and z) investigation of the oxidation states of surface areas and to some extent of deeper layers of the electrode. Until now CMXRF-XANES has been applied to a limited number of applications, mainly geo-science. Here, we introduce this technique to material science applications and show its performance to study a part of a working system. A novel mesoporous LiNi{sub 0.5}Mn{sub 1.5}O{sub 4} material was cycled (charged and discharged) to investigate the effects on the oxidation states at the cathode/electrolyte interface. With this approach the degradation of Mn{sup 3+} to Mn{sup 4+} only observable at the surface of the electrode could be directly shown. The spatially resolved non-destructive analysis provides knowledge helpful for further understanding of deterioration and the development of high voltage battery materials, because of its nondestructive nature it will be also suitable to monitor processes during battery cycling. - Highlights: • The potential of confocal micro-XRF-XANES for spatial resolved species analysis in a part of a working system is shown. • The spatial resolution enables differentiation of the oxidized interface from deeper layers. • With the analytical technique confocal micro-XRF-XANES 3D in-situ analyses of working systems are feasible. • The multidimensional and nondestructive analysis of Li-ion battery cathodes is shown. • The analysis will allow for a deeper understanding of processes at interfaces in battery science and others.

  2. Nucleation barrier reconstruction via the seeding method in a lattice model with competing nucleation pathways.

    Science.gov (United States)

    Lifanov, Yuri; Vorselaars, Bart; Quigley, David

    2016-12-07

    We study a three-species analogue of the Potts lattice gas model of nucleation from solution in a regime where partially disordered solute is a viable thermodynamic phase. Using a multicanonical sampling protocol, we compute phase diagrams for the system, from which we determine a parameter regime where the partially disordered phase is metastable almost everywhere in the temperature-fugacity plane. The resulting model shows non-trivial nucleation and growth behaviour, which we examine via multidimensional free energy calculations. We consider the applicability of the model in capturing the multi-stage nucleation mechanisms of polymorphic biominerals (e.g., CaCO 3 ). We then quantitatively explore the kinetics of nucleation in our model using the increasingly popular "seeding" method. We compare the resulting free energy barrier heights to those obtained via explicit free energy calculations over a wide range of temperatures and fugacities, carefully considering the propagation of statistical error. We find that the ability of the "seeding" method to reproduce accurate free energy barriers is dependent on the degree of supersaturation, and severely limited by the use of a nucleation driving force Δμ computed for bulk phases. We discuss possible reasons for this in terms of underlying kinetic assumptions, and those of classical nucleation theory.

  3. Freezing nucleation apparatus puts new slant on study of biological ice nucleators in precipitation

    Science.gov (United States)

    Stopelli, E.; Conen, F.; Zimmermann, L.; Alewell, C.; Morris, C. E.

    2014-01-01

    For decades, drop-freezing instruments have contributed to a better understanding of biological ice nucleation and its likely implications for cloud and precipitation development. Yet, current instruments have limitations. Drops analysed on a cold stage are subject to evaporation and potential contamination. The use of closed tubes provides a partial solution to these problems, but freezing events are still difficult to be clearly detected. Here, we present a new apparatus where freezing in closed tubes is detected automatically by a change in light transmission upon ice development, caused by the formation of air bubbles and crystal facets that scatter light. Risks of contamination and introduction of biases linked to detecting the freezing temperature of a sample are then minimized. To illustrate the performance of the new apparatus we show initial results of two assays with snow samples. In one, we repeatedly analysed the sample (208 tubes) over the course of a month with storage at +4 °C, during which evidence for biological ice nucleation activity emerged through an increase in the number of ice nucleators active around -4 °C. In the second assay, we indicate the possibility of increasingly isolating a single ice nucleator from a precipitation sample, potentially determining the nature of a particle responsible for a nucleation activity measured directly in the sample. These two seminal approaches highlight the relevance of this handy apparatus for providing new points of view in biological ice nucleation research.

  4. Cavitation in a metallic liquid: Homogeneous nucleation and growth of nanovoids

    International Nuclear Information System (INIS)

    Cai, Y.; Wu, H. A.; Luo, S. N.

    2014-01-01

    Large-scale molecular dynamics (MD) simulations are performed to investigate homogeneous nucleation and growth of nanovoids during cavitation in liquid Cu. We characterize in detail the atomistic cavitation processes by following the temporal evolution of cavities or voids, analyze the nucleation behavior with the mean first-passage time (MFPT) and survival probability (SP) methods, and discuss the results against classical nucleation theory (CNT), the Tolman equation for surface energy, independent calculation of surface tension via integrating the stress profiles, the Johnson-Mehl-Avrami (JMA) growth law, and the power law for nucleus size distributions. Cavitation in this representative metallic liquid is a high energy barrier Poisson processes, and the steady-state nucleation rates obtained from statistical runs with the MFPT and SP methods are in agreement. The MFPT method also yields the critical nucleus size and the Zeldovich factor. Fitting with the Tolman's equation to the MD simulations yields the surface energy of a planar interface (∼0.9 J m −2 ) and the Tolman length (0.4–0.5 Å), and those values are in accord with those from integrating the stress profiles of a planar interface. Independent CNT predictions of the nucleation rate (10 33−34 s −1  m −3 ) and critical size (3–4 Å in radius) are in agreement with the MFPT and SP results. The JMA law can reasonably describe the nucleation and growth process. The size distribution of subcritical nuclei appears to follow a power law with an exponent decreasing with increasing tension owing to coupled nucleation and growth, and that of the supercritical nuclei becomes flattened during further stress relaxation due to void coalescence

  5. Cavitation in a metallic liquid: Homogeneous nucleation and growth of nanovoids

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Y. [Department of Modern Mechanics, CAS Key Laboratory of Materials Behavior and Design, University of Science and Technology of China, Hefei, Anhui 230027 (China); The Peac Institute of Multiscale Sciences, Chengdu, Sichuan 610207 (China); Wu, H. A., E-mail: wuha@ustc.edu.cn [Department of Modern Mechanics, CAS Key Laboratory of Materials Behavior and Design, University of Science and Technology of China, Hefei, Anhui 230027 (China); Luo, S. N., E-mail: sluo@pims.ac.cn [The Peac Institute of Multiscale Sciences, Chengdu, Sichuan 610207 (China)

    2014-06-07

    Large-scale molecular dynamics (MD) simulations are performed to investigate homogeneous nucleation and growth of nanovoids during cavitation in liquid Cu. We characterize in detail the atomistic cavitation processes by following the temporal evolution of cavities or voids, analyze the nucleation behavior with the mean first-passage time (MFPT) and survival probability (SP) methods, and discuss the results against classical nucleation theory (CNT), the Tolman equation for surface energy, independent calculation of surface tension via integrating the stress profiles, the Johnson-Mehl-Avrami (JMA) growth law, and the power law for nucleus size distributions. Cavitation in this representative metallic liquid is a high energy barrier Poisson processes, and the steady-state nucleation rates obtained from statistical runs with the MFPT and SP methods are in agreement. The MFPT method also yields the critical nucleus size and the Zeldovich factor. Fitting with the Tolman's equation to the MD simulations yields the surface energy of a planar interface (∼0.9 J m{sup −2}) and the Tolman length (0.4–0.5 Å), and those values are in accord with those from integrating the stress profiles of a planar interface. Independent CNT predictions of the nucleation rate (10{sup 33−34} s{sup −1} m{sup −3}) and critical size (3–4 Å in radius) are in agreement with the MFPT and SP results. The JMA law can reasonably describe the nucleation and growth process. The size distribution of subcritical nuclei appears to follow a power law with an exponent decreasing with increasing tension owing to coupled nucleation and growth, and that of the supercritical nuclei becomes flattened during further stress relaxation due to void coalescence.

  6. Cavitation in a metallic liquid: homogeneous nucleation and growth of nanovoids.

    Science.gov (United States)

    Cai, Y; Wu, H A; Luo, S N

    2014-06-07

    Large-scale molecular dynamics (MD) simulations are performed to investigate homogeneous nucleation and growth of nanovoids during cavitation in liquid Cu. We characterize in detail the atomistic cavitation processes by following the temporal evolution of cavities or voids, analyze the nucleation behavior with the mean first-passage time (MFPT) and survival probability (SP) methods, and discuss the results against classical nucleation theory (CNT), the Tolman equation for surface energy, independent calculation of surface tension via integrating the stress profiles, the Johnson-Mehl-Avrami (JMA) growth law, and the power law for nucleus size distributions. Cavitation in this representative metallic liquid is a high energy barrier Poisson processes, and the steady-state nucleation rates obtained from statistical runs with the MFPT and SP methods are in agreement. The MFPT method also yields the critical nucleus size and the Zeldovich factor. Fitting with the Tolman's equation to the MD simulations yields the surface energy of a planar interface (~0.9 J m⁻²) and the Tolman length (0.4-0.5 Å), and those values are in accord with those from integrating the stress profiles of a planar interface. Independent CNT predictions of the nucleation rate (10(33 - 34) s(-1) m(-3)) and critical size (3-4 Å in radius) are in agreement with the MFPT and SP results. The JMA law can reasonably describe the nucleation and growth process. The size distribution of subcritical nuclei appears to follow a power law with an exponent decreasing with increasing tension owing to coupled nucleation and growth, and that of the supercritical nuclei becomes flattened during further stress relaxation due to void coalescence.

  7. Non stationary nucleation: the model with minimal environment

    OpenAIRE

    Kurasov, Victor

    2013-01-01

    A new model to calculate the rate of nucleation is formulated. This model is based on the classical nucleation theory but considers also vapor depletion around the formed embryo. As the result the free energy has to be recalculated which brings a new expression for the nucleation rate.

  8. Delays due to gas diffusion in flash boiling nucleation

    International Nuclear Information System (INIS)

    Hanbury, W.T.; McCartney, W.S.

    1976-01-01

    A theoretical model to account for the time delay between decompression and nucleation in flash boiling is presented and analyzed. It shows that gas diffusion can be responsible for delayed nucleation when the critical radius for nucleation and the suspended particle size are of the same order of magnitude

  9. Nucleation, Melting Behaviour and Mechanical Properties of Poly(L ...

    African Journals Online (AJOL)

    Anew category of nucleating agent for poly(L-lactic acid) (PLLA) was developed. An organic nucleating agent; N,N'-bis(benzoyl) suberic acid dihydrazide (NA) was synthesized from benzoyl hydrazine and suberoyl chloride which was deprived from suberic acid via acylation. The nucleation, melting behaviour and ...

  10. Nucleation of colloidal crystals on configurable seed structures

    NARCIS (Netherlands)

    Hermes, M; Vermolen, E.C.M.; Leunissen, M.E.; Vossen, D.L.J.; van Oostrum, P.D.J.; Dijkstra, M.; van Blaaderen, A.

    2011-01-01

    Nucleation is an important stage in the growth of crystals. During this stage, the structure and orientation of a crystal are determined. However, short time- and length-scales make nucleation poorly understood. Micrometer-sized colloidal particles form an ideal model system to study nucleation due

  11. The Edge supersonic transport

    Science.gov (United States)

    Agosta, Roxana; Bilbija, Dushan; Deutsch, Marc; Gallant, David; Rose, Don; Shreve, Gene; Smario, David; Suffredini, Brian

    1992-01-01

    As intercontinental business and tourism volumes continue their rapid expansion, the need to reduce travel times becomes increasingly acute. The Edge Supersonic Transport Aircraft is designed to meet this demand by the year 2015. With a maximum range of 5750 nm, a payload of 294 passengers and a cruising speed of M = 2.4, The Edge will cut current international flight durations in half, while maintaining competitive first class, business class, and economy class comfort levels. Moreover, this transport will render a minimal impact upon the environment, and will meet all Federal Aviation Administration Part 36, Stage III noise requirements. The cornerstone of The Edge's superior flight performance is its aerodynamically efficient, dual-configuration design incorporating variable-geometry wingtips. This arrangement combines the benefits of a high aspect ratio wing at takeoff and low cruising speeds with the high performance of an arrow-wing in supersonic cruise. And while the structural weight concerns relating to swinging wingtips are substantial, The Edge looks to ever-advancing material technologies to further increase its viability. Heeding well the lessons of the past, The Edge design holds economic feasibility as its primary focus. Therefore, in addition to its inherently superior aerodynamic performance, The Edge uses a lightweight, largely windowless configuration, relying on a synthetic vision system for outside viewing by both pilot and passengers. Additionally, a fly-by-light flight control system is incorporated to address aircraft supersonic cruise instability. The Edge will be produced at an estimated volume of 400 aircraft and will be offered to airlines in 2015 at $167 million per transport (1992 dollars).

  12. Nucleation Characteristics in Physical Experiments/explosions

    International Nuclear Information System (INIS)

    Henry, R.E.; Fauske, Hans K.

    1976-01-01

    Large-scale vapor explosion experiments have shown that intimate contact between hot and cold liquids, and a temperature upon contact that is greater than the spontaneous nucleation temperature of the system, are two necessary conditions for the onset of large scale vapor explosions. A model, based on spontaneous nucleation of the homogeneous type, has been proposed to describe the relevant processes and the resulting energetics for explosive boiling systems. The model considers that spontaneous nucleation cannot occur either during the relief time for constant volume heating or until the thermal boundary layer is sufficiently thick to support a vapor cavity of the critical size. After nucleation, bubble growth does not occur until an acoustic wave establishes a pressure gradient in the cold liquid. These considerations lead to the prediction that, for a given temperature, drops greater than a critical size will remain in film boiling due to coalescence of vapor nuclei and drops smaller than this value will wet and be captured by the hot liquid surface. These results are compared to small drop data for well-wetted systems and excellent agreement is obtained between the observed behavior and the model predictions. In conclusion: A model, based on spontaneous nucleation, has been proposed to describe vaporization potential and behavior upon contact in a liquid/liquid system. This behavior is determined by the size of the liquid mass, single-phase pressurization and acoustic relief, nucleation frequency due to random density fluctuations, the initiation of unstable growth and acoustic relief, and the development of the thermal boundary layer in the cold liquid. The proposed model predicts that the stability of a given size drop upon intimate contact with another liquid is extremely dependent upon the interface temperature. For low interface temperatures, large masses will be captured by the hot liquid and the resulting vaporization rates will be extremely low because

  13. Evolution of particle composition in CLOUD nucleation experiments

    Directory of Open Access Journals (Sweden)

    H. Keskinen

    2013-06-01

    Full Text Available Sulphuric acid, ammonia, amines, and oxidised organics play a crucial role in nanoparticle formation in the atmosphere. In this study, we investigate the composition of nucleated nanoparticles formed from these compounds in the CLOUD (Cosmics Leaving Outdoor Droplets chamber experiments at CERN (Centre européen pour la recherche nucléaire. The investigation was carried out via analysis of the particle hygroscopicity, ethanol affinity, oxidation state, and ion composition. Hygroscopicity was studied by a hygroscopic tandem differential mobility analyser and a cloud condensation nuclei counter, ethanol affinity by an organic differential mobility analyser and particle oxidation level by a high-resolution time-of-flight aerosol mass spectrometer. The ion composition was studied by an atmospheric pressure interface time-of-flight mass spectrometer. The volume fraction of the organics in the particles during their growth from sizes of a few nanometers to tens of nanometers was derived from measured hygroscopicity assuming the Zdanovskii–Stokes–Robinson relationship, and compared to values gained from the spectrometers. The ZSR-relationship was also applied to obtain the measured ethanol affinities during the particle growth, which were used to derive the volume fractions of sulphuric acid and the other inorganics (e.g. ammonium salts. In the presence of sulphuric acid and ammonia, particles with a mobility diameter of 150 nm were chemically neutralised to ammonium sulphate. In the presence of oxidation products of pinanediol, the organic volume fraction of freshly nucleated particles increased from 0.4 to ~0.9, with an increase in diameter from 2 to 63 nm. Conversely, the sulphuric acid volume fraction decreased from 0.6 to 0.1 when the particle diameter increased from 2 to 50 nm. The results provide information on the composition of nucleated aerosol particles during their growth in the presence of various combinations of sulphuric acid

  14. Plasmons on the edge of MoS2 nanostructures

    DEFF Research Database (Denmark)

    Andersen, Kirsten; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer

    2014-01-01

    Using ab initio calculations we predict the existence of one-dimensional (1D), atomically confined plasmons at the edges of a zigzag MoS2 nanoribbon. The strongest plasmon originates from a metallic edge state localized on the sulfur dimers decorating the Mo edge of the ribbon. A detailed analysis...... of the dielectric function reveals that the observed deviations from the ideal 1D plasmon behavior result from single-particle transitions between the metallic edge state and the valence and conduction bands of the MoS2 sheet. The Mo and S edges of the ribbon are clearly distinguishable in calculated spatially...... resolved electron energy loss spectrum owing to the different plasmonic properties of the two edges. The edge plasmons could potentially be utilized for tuning the photocatalytic activity of MoS2 nanoparticles....

  15. Properties on the edge: graphene edge energies, edge stresses, edge warping, and the Wulff shape of graphene flakes

    International Nuclear Information System (INIS)

    Branicio, Paulo S; Jhon, Mark H; Gan, Chee Kwan; Srolovitz, David J

    2011-01-01

    It has been shown that the broken bonds of an unreconstructed graphene edge generate compressive edge stresses leading to edge warping. Here, we investigate edge energies and edge stresses of graphene nanoribbons with arbitrary orientations from armchair to zigzag, considering both flat and warped edge shapes in the presence and absence of hydrogen. We use the second generation reactive empirical bond order potential to calculate the edge energies and stresses for clean and hydrogenated edges. Using these energies, we perform a Wulff construction to determine the equilibrium shapes of flat graphene flakes as a function of hydrogen chemical potential. While edge stresses for clean, flat edges are compressive, they become tensile if allowed to warp. Conversely, we find that edge energies change little (∼1%) with edge warping. Hydrogenation of the edges virtually eliminates both the edge energy and edge stresses. For warped edges an approximately linear relationship is found between amplitudes and wavelengths. The equilibrium shape of a graphene flake is determined by the value of the hydrogen chemical potential. For very small (and large) values of it the flakes have a nearly hexagonal (dodecagon) shape with zigzag oriented edges, while for intermediate values graphene flakes are found with complex shapes

  16. A method for analyzing the non-stationary nucleation and overall transition kinetics: A case of water

    International Nuclear Information System (INIS)

    Mokshin, Anatolii V.; Galimzyanov, Bulat N.

    2014-01-01

    We present the statistical method as a direct extension of the mean first-passage time concept to the analysis of molecular dynamics simulation data of a phase transformation. According to the method, the mean first-passage time trajectories for the first (i = 1) as well as for the subsequent (i = 2, 3, 4,…) nucleation events should be extracted that allows one to calculate the time-dependent nucleation rate, the critical value of the order parameter (the critical size), the waiting times for the nucleation events, and the growth law of the nuclei – i.e., all the terms, which are usually necessary to characterize the overall transition kinetics. There are no restrictions in the application of the method by the specific thermodynamic regions; and the nucleation rate parameters are extracted according to their basic definitions. The method differs from the Wedekind-Bartell scheme and its modification [A. V. Mokshin and B. N. Galimzyanov, J. Phys. Chem. B 116, 11959 (2012)], where the passage-times for the first (largest) nucleus are evaluated only and where the average waiting time for the first nucleation event is accessible instead of the true steady-state nucleation time scale. We demonstrate an efficiency of the method by its application to the analysis of the vapor-to-liquid transition kinetics in water at the different temperatures. The nucleation rate/time characteristics and the droplet growth parameters are computed on the basis of the coarse-grained molecular dynamics simulation data

  17. Dynamic observations of vesiculation reveal the role of silicate crystals in bubble nucleation and growth in andesitic magmas

    Energy Technology Data Exchange (ETDEWEB)

    Pleše, P.; Higgins, M. D.; Mancini, L.; Lanzafame, G.; Brun, F.; Fife, J. L.; Casselman, J.; Baker, D. R.

    2018-01-01

    Bubble nucleation and growth control the explosivity of volcanic eruptions, and the kinetics of these processes are generally determined from examinations of natural samples and quenched experimental run products. These samples, however, only provide a view of the final state, from which the initial conditions of a time-evolving magmatic system are then inferred. The interpretations that follow are inexact due to the inability of determining the exact conditions of nucleation and the potential detachment of bubbles from their nucleation sites, an uncertainty that can obscure their nucleation location – either homogeneously within the melt or heterogeneously at the interface between crystals and melts. We present results of a series of dynamic, real-time 4D X-ray tomographic microscopy experiments where we observed the development of bubbles in crystal bearing silicate magmas. Experimentally synthesized andesitic glasses with 0.25–0.5 wt% H2O and seed silicate crystals were heated at 1 atm to induce bubble nucleation and track bubble growth and movement. In contrast to previous studies on natural and experimentally produced samples, we found that bubbles readily nucleated on plagioclase and clinopyroxene crystals, that their contact angle changes during growth and that they can grow to sizes many times that of the silicate on whose surface they originated. The rapid heterogeneous nucleation of bubbles at low degrees of supersaturation in the presence of silicate crystals demonstrates that silicates can affect when vesiculation ensues, influencing subsequent permeability development and effusive vs. explosive transition in volcanic eruptions.

  18. Dynamic observations of vesiculation reveal the role of silicate crystals in bubble nucleation and growth in andesitic magmas

    Science.gov (United States)

    Pleše, P.; Higgins, M. D.; Mancini, L.; Lanzafame, G.; Brun, F.; Fife, J. L.; Casselman, J.; Baker, D. R.

    2018-01-01

    Bubble nucleation and growth control the explosivity of volcanic eruptions, and the kinetics of these processes are generally determined from examinations of natural samples and quenched experimental run products. These samples, however, only provide a view of the final state, from which the initial conditions of a time-evolving magmatic system are then inferred. The interpretations that follow are inexact due to the inability of determining the exact conditions of nucleation and the potential detachment of bubbles from their nucleation sites, an uncertainty that can obscure their nucleation location - either homogeneously within the melt or heterogeneously at the interface between crystals and melts. We present results of a series of dynamic, real-time 4D X-ray tomographic microscopy experiments where we observed the development of bubbles in crystal bearing silicate magmas. Experimentally synthesized andesitic glasses with 0.25-0.5 wt% H2O and seed silicate crystals were heated at 1 atm to induce bubble nucleation and track bubble growth and movement. In contrast to previous studies on natural and experimentally produced samples, we found that bubbles readily nucleated on plagioclase and clinopyroxene crystals, that their contact angle changes during growth and that they can grow to sizes many times that of the silicate on whose surface they originated. The rapid heterogeneous nucleation of bubbles at low degrees of supersaturation in the presence of silicate crystals demonstrates that silicates can affect when vesiculation ensues, influencing subsequent permeability development and effusive vs. explosive transition in volcanic eruptions.

  19. Vapor nucleation paths in lyophobic nanopores.

    Science.gov (United States)

    Tinti, Antonio; Giacomello, Alberto; Casciola, Carlo Massimo

    2018-04-19

    In recent years, technologies revolving around the use of lyophobic nanopores gained considerable attention in both fundamental and applied research. Owing to the enormous internal surface area, heterogeneous lyophobic systems (HLS), constituted by a nanoporous lyophobic material and a non-wetting liquid, are promising candidates for the efficient storage or dissipation of mechanical energy. These diverse applications both rely on the forced intrusion and extrusion of the non-wetting liquid inside the pores; the behavior of HLS for storage or dissipation depends on the hysteresis between these two processes, which, in turn, are determined by the microscopic details of the system. It is easy to understand that molecular simulations provide an unmatched tool for understanding phenomena at these scales. In this contribution we use advanced atomistic simulation techniques in order to study the nucleation of vapor bubbles inside lyophobic mesopores. The use of the string method in collective variables allows us to overcome the computational challenges associated with the activated nature of the phenomenon, rendering a detailed picture of nucleation in confinement. In particular, this rare event method efficiently searches for the most probable nucleation path(s) in otherwise intractable, high-dimensional free-energy landscapes. Results reveal the existence of several independent nucleation paths associated with different free-energy barriers. In particular, there is a family of asymmetric transition paths, in which a bubble forms at one of the walls; the other family involves the formation of axisymmetric bubbles with an annulus shape. The computed free-energy profiles reveal that the asymmetric path is significantly more probable than the symmetric one, while the exact position where the asymmetric bubble forms is less relevant for the free energetics of the process. A comparison of the atomistic results with continuum models is also presented, showing how, for simple

  20. Ca 3d unoccupied states in Bi2Sr2CaCu2O8 investigated by Ca L2,3 x-ray-absorption near-edge structure

    International Nuclear Information System (INIS)

    Borg, A.; King, P.L.; Pianetta, P.; Lindau, I.; Mitzi, D.B.; Kapitulnik, A.; Soldatov, A.V.; Della Longa, S.; Bianconi, A.

    1992-01-01

    The high-resolution Ca L 2,3 x-ray-absorption near-edge-structure (XANES) spectrum of a Bi 2 Sr 2 CaCu 2 O 8 single crystal has been measured by use of a magnetic-projection x-ray microscope probing a surface area of 200x200 μm 2 . The Ca L 2,3 XANES spectrum is analyzed by performing a multiple-scattering XANES calculation in real space and comparing the results with the spectrum of CaF 2 . Good agreement between the calculated and experimental crystal-field splitting Δ f of the Ca 3d final states is found and the splitting is shown to be smaller by 0.5 eV than in the initial state. The Ca 3d partial density of states is found to be close to the Fermi level in the initial state. The Ca-O(in plane) distance is shown to be a critical parameter associated with the shift of the Ca 3d states relative to the Fermi level; in particular, we have studied the effect of the out-of-plane dimpling mode of the in-plane oxygen atoms O(in plane) that will move the Ca 3d states on or off the Fermi level. This mode can therefore play a role in modulating the charge transfer between the two CuO 2 planes separated by the Ca ions

  1. Ca 3d unoccupied states in Bi2Sr2CaCu2O8 investigated by Ca L2,3 x-ray-absorption near-edge structure

    Energy Technology Data Exchange (ETDEWEB)

    Borg, A; King, P L; Pianetta, P; Lindau, I; Mitzi, D B

    1992-01-01

    The high-resolution Ca L(2,3) x-ray-absorption near-edge-structure (XANES) spectrum of a Bi2Sr2CaCu2O8 single crystal has been measured by use of a magnetic-projection x-ray microscope probing a surface area of 200x200 micrometers square. The Ca L(2,3) XANES spectrum is analyzed by performing a multiple-scattering XANES calculation in real space and comparing the results with the spectrum of CaF2. Good agreement between the calculated and experimental crystal-field splitting Delta f of the Ca 3d final states is found and the splitting is shown to be smaller by 0.5 eV than in the initial state. The Ca 3d partial density of states is found to be close to the Fermi level in the initial state. The Ca-O (in plane) distance is shown to be a critical parameter associated with the shift of the Ca 3d states relative to the Fermi level; in particular, the authors have studied the effect of the out-of-plane dimpling mode of the in-plane oxygen atoms O(in plane) that will move the Ca 3d states on or off the Fermi level. This mode can therefore play a role in modulating the charge transfer between the two CuO2 planes separated by the Ca ions.

  2. Theory of edge radiation

    Energy Technology Data Exchange (ETDEWEB)

    Geloni, G.; Kocharyan, V.; Saldin, E.; Schneidmiller, E.; Yurkov, M.

    2008-08-15

    We formulate a complete theory of Edge Radiation based on a novel method relying on Fourier Optics techniques. Similar types of radiation like Transition UndulatorRadiation are addressed in the framework of the same formalism. Special attention is payed in discussing the validity of approximations upon which the theory is built. Our study makes consistent use of both similarity techniques and comparisons with numerical results from simulation. We discuss both near and far zone. Physical understanding of many asymptotes is discussed. Based on the solution of the field equation with a tensor Green's function technique, we also discuss an analytical model to describe the presence of a vacuum chamber. In particular, explicit calculations for a circular vacuum chamber are reported. Finally, we consider the use of Edge Radiation as a tool for electron beam diagnostics. We discuss Coherent Edge Radiation, Extraction of Edge Radiation by a mirror, and other issues becoming important at high electron energy and long radiation wavelength. Based on this work we also study the impact of Edge Radiation on XFEL setups and we discuss recent results. (orig.)

  3. Nucleate pool-boiling heat transfer - I. Review of parametric effects of boiling surface

    International Nuclear Information System (INIS)

    Pioro, I.L.; Rohsenow, W.; Doerffer, S.S.

    2004-01-01

    The objective of this paper is to assess the state-of-the-art of heat transfer in nucleate pool-boiling. Therefore, the paper consists of two parts: part I reviews and examines the effects of major boiling surface parameters affecting nucleate-boiling heat transfer, and part II reviews and examines the existing prediction methods to calculate the nucleate pool-boiling heat transfer coefficient (HTC). A literature review of the parametric trends points out that the major parameters affecting the HTC under nucleate pool-boiling conditions are heat flux, saturation pressure, and thermophysical properties of a working fluid. Therefore, these effects on the HTC under nucleate pool-boiling conditions have been the most investigated and are quite well established. On the other hand, the effects of surface characteristics such as thermophysical properties of the material, dimensions, thickness, surface finish, microstructure, etc., still cannot be quantified, and further investigations are needed. Particular attention has to be paid to the characteristics of boiling surfaces. (author)

  4. Correlation between thermodynamic anomalies and pathways of ice nucleation in supercooled water

    International Nuclear Information System (INIS)

    Singh, Rakesh S.; Bagchi, Biman

    2014-01-01

    The well-known classical nucleation theory (CNT) for the free energy barrier towards formation of a nucleus of critical size of the new stable phase within the parent metastable phase fails to take into account the influence of other metastable phases having density/order intermediate between the parent metastable phase and the final stable phase. This lacuna can be more serious than capillary approximation or spherical shape assumption made in CNT. This issue is particularly significant in ice nucleation because liquid water shows rich phase diagram consisting of two (high and low density) liquid phases in supercooled state. The explanations of thermodynamic and dynamic anomalies of supercooled water often invoke the possible influence of a liquid-liquid transition between two metastable liquid phases. To investigate both the role of thermodynamic anomalies and presence of distinct metastable liquid phases in supercooled water on ice nucleation, we employ density functional theoretical approach to find nucleation free energy barrier in different regions of phase diagram. The theory makes a number of striking predictions, such as a dramatic lowering of nucleation barrier due to presence of a metastable intermediate phase and crossover in the dependence of free energy barrier on temperature near liquid-liquid critical point. These predictions can be tested by computer simulations as well as by controlled experiments

  5. Effect of wetting on nucleation and growth of D2 in confinement

    Science.gov (United States)

    Zepeda-Ruiz, L. A.; Sadigh, B.; Shin, S. J.; Kozioziemski, B. J.; Chernov, A. A.

    2018-04-01

    We have performed a computational study to determine how the wetting of liquid deuterium to the walls of the material influences nucleation. We present the development of a pair-wise interatomic potential that includes zero-point motion of molecular deuterium. Deuterium is used in this study because of its importance to inertial confinement fusion and the potential to generate a superfluid state if the solidification can be suppressed. Our simulations show that wetting dominates undercooling compared to the pore geometries. We observe a transition from heterogeneous nucleation at the confining wall to homogeneous nucleation at the bulk of the liquid (and intermediate cases) as the interaction with the confining wall changes from perfect wetting to non-wetting. When nucleation is heterogeneous, the temperature needed for solidification changes by 4 K with decreasing deuterium-wall interaction, but it remains independent (and equal to the one from bulk samples) when homogeneous nucleation dominates. We find that growth and quality of the resulting microstructure also depends on the magnitude of liquid deuterium-wall interaction strength.

  6. Immersion Freezing of Aluminas: The Effect of Crystallographic Properties on Ice Nucleation

    Science.gov (United States)

    King, M.; Chong, E.; Freedman, M. A.

    2017-12-01

    Atmospheric aerosol particles serve as the nuclei for heterogeneous ice nucleation, a process that allows for ice to form at higher temperatures and lower supersaturations with respect to ice. This process is essential to the formation of ice in cirrus clouds. Heterogeneous ice nucleation is affected by many factors including the composition, crystal structure, porosity, and surface area of the particles. However, these factors are not well understood and, as such, are difficult to account for in climate models. To test the effects of crystal structure on ice nucleation, a system of transition aluminas (Al2O3) that differ only in their crystal structure, despite being compositionally similar, were tested using immersion freezing. Particles were immersed in water and placed into a temperature controlled chamber. Freezing events were then recorded as the chamber was cooled to negative 30 °. Alpha-alumina, which is a member of the hexagonal crystal system, showed a significantly higher temperature at which all particles froze in comparison to other samples. This supports the hypothesis that, since a hexagonal crystal structure is the lowest energy state for ice, hexagonal surface structures would best facilitate ice nucleation. However, a similar sample of hexagonal chi-alumina did not show the same results. Further analysis of the samples will be done to characterize surface structures and composition. These conflicting data sets raise interesting questions about the effect of other surface features, such as surface area and porosity, on ice nucleation.

  7. Sensitivity of ice-nucleating bacteria to ultraviolet irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Obata, Hitoshi; Tanahashi, Shinji; Kawahara, Hidehisa (Kansai Univ., Suita, Osaka (Japan). Faculty of Engineering)

    1992-01-01

    The effect of ultraviolet (UV) irradiation on the ice-nucleating activity of the ice-nucleating bacteria was examined. Bacterial suspension was irradiated with UV (254 nm, 6Wx2) for 5 min at a distance of 20 cm from UV source. Although no viable cells were detected, the ice-nucreating activity of the cells was not affected. Furthermore, after UV irradiation for 3 hr, the ice-nucleating activity of Pseudomonas fluorescens and P. syringae was only slightly decreased, although that of P. viridiflava and Erwinia herbicola was significantly lowered. We succeeded in killing the ice-nucleating bacteria, while retaining their ice-nucleating activity with UV irradiation. (author).

  8. Carbon dioxide nucleation as a novel cleaning method for ultrafiltration membranes

    KAUST Repository

    Al Ghamdi, Mohanned

    2016-01-01

    will become in a supersaturated state and bubbles will start to nucleate on the surface of the membrane and its pores from this solution resulting in the removal of the fouling material deposited on the membrane. Different compositions of fouling solutions

  9. Reducing the stochasticity of crystal nucleation to enable subnanosecond memory writing

    Science.gov (United States)

    Rao, Feng; Ding, Keyuan; Zhou, Yuxing; Zheng, Yonghui; Xia, Mengjiao; Lv, Shilong; Song, Zhitang; Feng, Songlin; Ronneberger, Ider; Mazzarello, Riccardo; Zhang, Wei; Ma, Evan

    2017-12-01

    Operation speed is a key challenge in phase-change random-access memory (PCRAM) technology, especially for achieving subnanosecond high-speed cache memory. Commercialized PCRAM products are limited by the tens of nanoseconds writing speed, originating from the stochastic crystal nucleation during the crystallization of amorphous germanium antimony telluride (Ge2Sb2Te5). Here, we demonstrate an alloying strategy to speed up the crystallization kinetics. The scandium antimony telluride (Sc0.2Sb2Te3) compound that we designed allows a writing speed of only 700 picoseconds without preprogramming in a large conventional PCRAM device. This ultrafast crystallization stems from the reduced stochasticity of nucleation through geometrically matched and robust scandium telluride (ScTe) chemical bonds that stabilize crystal precursors in the amorphous state. Controlling nucleation through alloy design paves the way for the development of cache-type PCRAM technology to boost the working efficiency of computing systems.

  10. Edge effects on the electronic properties of phosphorene nanoribbons

    International Nuclear Information System (INIS)

    Peng, Xihong; Copple, Andrew; Wei, Qun

    2014-01-01

    Two dimensional few-layer black phosphorus crystal structures have recently been fabricated and have demonstrated great potential in electronic applications. In this work, we employed first principles density functional theory calculations to study the edge and quantum confinement effects on the electronic properties of the phosphorene nanoribbons (PNR). Different edge functionalization groups, such as H, F, Cl, OH, O, S, and Se, in addition to a pristine case were studied for a series of ribbon widths up to 3.5 nm. It was found that the armchair-PNRs (APNRs) are semiconductors for all edge groups considered in this work. However, the zigzag-PNRs (ZPNRs) show either semiconductor or metallic behavior in dependence on their edge chemical species. Family 1 edges (i.e., H, F, Cl, OH) form saturated bonds with P atoms in the APNRs and ZPNRs, and the edge states keep far away from the band gap. However, Family 2 edges (pristine, O, S, Se) form weak unsaturated bonds with the p z orbital of the phosphorus atoms and bring edge states within the band gap of the ribbons. For the ZPNRs, the edge states of Family 2 are present around the Fermi level within the band gap, which close up the band gap of the ZPNRs. For the APNRs, these edge states are located at the bottom of the conduction band and result in a reduced band gap.

  11. Edge effects on the electronic properties of phosphorene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Xihong, E-mail: xihong.peng@asu.edu [School of Letters and Sciences, Arizona State University, Mesa, Arizona 85212 (United States); Copple, Andrew [Department of Physics, Arizona State University, Tempe, Arizona 85287 (United States); Wei, Qun [School of Letters and Sciences, Arizona State University, Mesa, Arizona 85212 (United States); School of Physics and Optoelectronic Engineering, Xidian University, Xi' an 710071 (China)

    2014-10-14

    Two dimensional few-layer black phosphorus crystal structures have recently been fabricated and have demonstrated great potential in electronic applications. In this work, we employed first principles density functional theory calculations to study the edge and quantum confinement effects on the electronic properties of the phosphorene nanoribbons (PNR). Different edge functionalization groups, such as H, F, Cl, OH, O, S, and Se, in addition to a pristine case were studied for a series of ribbon widths up to 3.5 nm. It was found that the armchair-PNRs (APNRs) are semiconductors for all edge groups considered in this work. However, the zigzag-PNRs (ZPNRs) show either semiconductor or metallic behavior in dependence on their edge chemical species. Family 1 edges (i.e., H, F, Cl, OH) form saturated bonds with P atoms in the APNRs and ZPNRs, and the edge states keep far away from the band gap. However, Family 2 edges (pristine, O, S, Se) form weak unsaturated bonds with the p{sub z} orbital of the phosphorus atoms and bring edge states within the band gap of the ribbons. For the ZPNRs, the edge states of Family 2 are present around the Fermi level within the band gap, which close up the band gap of the ZPNRs. For the APNRs, these edge states are located at the bottom of the conduction band and result in a reduced band gap.

  12. Optically Unraveling the Edge Chirality-Dependent Band Structure and Plasmon Damping in Graphene Edges.

    Science.gov (United States)

    Duan, Jiahua; Chen, Runkun; Cheng, Yuan; Yang, Tianzhong; Zhai, Feng; Dai, Qing; Chen, Jianing

    2018-05-01

    The nontrivial topological origin and pseudospinorial character of electron wavefunctions make edge states possess unusual electronic properties. Twenty years ago, the tight-binding model calculation predicted that zigzag termination of 2D sheets of carbon atoms have peculiar edge states, which show potential application in spintronics and modern information technologies. Although scanning probe microscopy is employed to capture this phenomenon, the experimental demonstration of its optical response remains challenging. Here, the propagating graphene plasmon provides an edge-selective polaritonic probe to directly detect and control the electronic edge state at ambient condition. Compared with armchair, the edge-band structure in the bandgap gives rise to additional optical absorption and strongly absorbed rim at zigzag edge. Furthermore, the optical conductivity is reconstructed and the anisotropic plasmon damping in graphene systems is revealed. The reported approach paves the way for detecting edge-specific phenomena in other van der Waals materials and topological insulators. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Buckyball Nucleation of HiPco Tubes

    Science.gov (United States)

    Smalley, Richard E.

    2012-01-01

    The purpose of this innovation is to enhance nucleation of single-wall nanotubes (SWNTs) in the HiPco process, selectively producing 10,10 tubes, something which until now has not been thought possible. This is accomplished by injecting C60, or a derivative of C60, solubilized in supercritical CO2 together with a transition metal carboneal cocatalyst into the HiPco reactor. This is a variant on the supercritical disclosure. C60 has never been used to nucleate carbon nanotubes in the gas phase. C60 itself may not have adequate solubility in supercritical CO2. However, fluorinated C60, e.g., C60F36, is easy to make cheaply and should have much enhanced solubility.

  14. Bulk liquid undercooling and nucleation in nickel

    Energy Technology Data Exchange (ETDEWEB)

    Bokeloh, Joachim; Moros, Anna; Wilde, Gerhard [Institut fuer Materialphysik, Westfaelische Wilhelms-Universitaet Muenster (Germany)

    2010-07-01

    While classical nucleation theory is widely accepted textbook knowledge, it is somewhat lacking with regard to the atomistic details of the nucleation and growth mechanisms. Right now, there are many efforts in exploring these details with computational methods. However, only few experimental methods that can corroborate these results are available. The best known of these experimental methods are containerless processing in levitation melting and the investigation of fine droplet dispersions. We present here data on the liquid undercooling behaviour of Ni obtained by repeated melting and crystallization in a DTA. This method allows to acquire a statistically meaningful data set under clean and reproducible conditions, while still allowing reasonable sample sizes, thus combining several advantages of the two methods mentioned above. Ni was chosen as a model system because it shows good levels of undercooling and because it is well suited for computer simulations due to its relatively low number of electrons.

  15. Onset of runaway nucleation in aerosol reactors

    Science.gov (United States)

    Wu, Jin Jwang; Flagan, Richard C.

    1987-01-01

    The onset of homogeneous nucleation of new particles from the products of gas phase chemical reactions was explored using an aerosol reactor in which seed particles of silicon were grown by silane pyrolysis. The transition from seed growth by cluster deposition to catastrophic nucleation was extremely abrupt, with as little as a 17 percent change in the reactant concentration leading to an increase in the concentration of measurable particles of four orders of magnitude. From the structure of the particles grown near this transition, it is apparent that much of the growth occurs by the accumulation of clusters on the growing seed particles. The time scale for cluster diffusion indicates, however, that the clusters responsible for growth must be much smaller than the apparent fine structure of the product particles.

  16. The emergence of modern nucleation theory

    International Nuclear Information System (INIS)

    Cahn, J.W.

    1987-01-01

    A series of important papers by David Turnbull and his collaborators in the late 1940's and early 1950's laid the experimental and theoretical foundation of modern nucleation theory. The elegance, versatility, and generality of the phenomenological approach, coupled with brilliant and insightful experimental confirmation, sparked widespread application which continues today. Much of David Turnbull's subsequent work in other subjects grew directly or indirectly from this work

  17. Nucleation of (4)R brane universes

    International Nuclear Information System (INIS)

    Cordero, Ruben; Rojas, EfraIn

    2004-01-01

    The creation of brane universes induced by a totally antisymmetric tensor living in a fixed background spacetime is presented, where a term involving the intrinsic curvature of the brane is considered. A canonical quantum mechanical approach employing the Wheeler-DeWitt equation is used. The probability nucleation for the brane is calculated by means of the corresponding instanton and the WKB approximation. Some cosmological implications from the model are presented

  18. Nucleation of {sup (4)}R brane universes

    Energy Technology Data Exchange (ETDEWEB)

    Cordero, Ruben [Departamento de FIsica, Escuela Superior de FIsica y Matematicas del IPN, Unidad Adolfo Lopez Mateos, Edificio 9, 07738 Mexico, DF (Mexico); Rojas, EfraIn [Facultad de FIsica e Inteligencia Artificial, Universidad Veracruzana, Sebastian Camacho 5, Xalapa, Veracruz, 91000 (Mexico)

    2004-09-07

    The creation of brane universes induced by a totally antisymmetric tensor living in a fixed background spacetime is presented, where a term involving the intrinsic curvature of the brane is considered. A canonical quantum mechanical approach employing the Wheeler-DeWitt equation is used. The probability nucleation for the brane is calculated by means of the corresponding instanton and the WKB approximation. Some cosmological implications from the model are presented.

  19. High Speed Edge Detection

    Science.gov (United States)

    Prokop, Norman F (Inventor)

    2016-01-01

    Analog circuits for detecting edges in pixel arrays are disclosed. A comparator may be configured to receive an all pass signal and a low pass signal for a pixel intensity in an array of pixels. A latch may be configured to receive a counter signal and a latching signal from the comparator. The comparator may be configured to send the latching signal to the latch when the all pass signal is below the low pass signal minus an offset. The latch may be configured to hold a last negative edge location when the latching signal is received from the comparator.

  20. Pure spin current induced by adiabatic quantum pumping in zigzag-edged graphene nanoribbons

    International Nuclear Information System (INIS)

    Souma, Satofumi; Ogawa, Matsuto

    2014-01-01

    We show theoretically that pure spin current can be generated in zigzag edged graphene nanoribbons through the adiabatic pumping by edge selective pumping potentials. The origin of such pure spin current is the spin splitting of the edge localized states, which are oppositely spin polarized at opposite edges. In the proposed device, each edge of the ribbon is covered by two independent time-periodic local gate potentials with a definite phase difference, inducing the edge spin polarized current. When the pumping phase difference is opposite in sign between two edges, the total charge currents is zero and the pure edge spin current is generated

  1. Molecular-dynamics simulations of urea nucleation from aqueous solution.

    Science.gov (United States)

    Salvalaglio, Matteo; Perego, Claudio; Giberti, Federico; Mazzotti, Marco; Parrinello, Michele

    2015-01-06

    Despite its ubiquitous character and relevance in many branches of science and engineering, nucleation from solution remains elusive. In this framework, molecular simulations represent a powerful tool to provide insight into nucleation at the molecular scale. In this work, we combine theory and molecular simulations to describe urea nucleation from aqueous solution. Taking advantage of well-tempered metadynamics, we compute the free-energy change associated to the phase transition. We find that such a free-energy profile is characterized by significant finite-size effects that can, however, be accounted for. The description of the nucleation process emerging from our analysis differs from classical nucleation theory. Nucleation of crystal-like clusters is in fact preceded by large concentration fluctuations, indicating a predominant two-step process, whereby embryonic crystal nuclei emerge from dense, disordered urea clusters. Furthermore, in the early stages of nucleation, two different polymorphs are seen to compete.

  2. Molecular-dynamics simulations of urea nucleation from aqueous solution

    Science.gov (United States)

    Salvalaglio, Matteo; Perego, Claudio; Giberti, Federico; Mazzotti, Marco; Parrinello, Michele

    2015-01-01

    Despite its ubiquitous character and relevance in many branches of science and engineering, nucleation from solution remains elusive. In this framework, molecular simulations represent a powerful tool to provide insight into nucleation at the molecular scale. In this work, we combine theory and molecular simulations to describe urea nucleation from aqueous solution. Taking advantage of well-tempered metadynamics, we compute the free-energy change associated to the phase transition. We find that such a free-energy profile is characterized by significant finite-size effects that can, however, be accounted for. The description of the nucleation process emerging from our analysis differs from classical nucleation theory. Nucleation of crystal-like clusters is in fact preceded by large concentration fluctuations, indicating a predominant two-step process, whereby embryonic crystal nuclei emerge from dense, disordered urea clusters. Furthermore, in the early stages of nucleation, two different polymorphs are seen to compete. PMID:25492932

  3. Structural Basis of Actin Filament Nucleation by Tandem W Domains

    Science.gov (United States)

    Chen, Xiaorui; Ni, Fengyun; Tian, Xia; Kondrashkina, Elena; Wang, Qinghua; Ma, Jianpeng

    2013-01-01

    SUMMARY Spontaneous nucleation of actin is very inefficient in cells. To overcome this barrier, cells have evolved a set of actin filament nucleators to promote rapid nucleation and polymerization in response to specific stimuli. However, the molecular mechanism of actin nucleation remains poorly understood. This is hindered largely by the fact that actin nucleus, once formed, rapidly polymerizes into filament, thus making it impossible to capture stable multisubunit actin nucleus. Here, we report an effective double-mutant strategy to stabilize actin nucleus by preventing further polymerization. Employing this strategy, we solved the crystal structure of AMPPNP-actin in complex with the first two tandem W domains of Cordon-bleu (Cobl), a potent actin filament nucleator. Further sequence comparison and functional studies suggest that the nucleation mechanism of Cobl is probably shared by the p53 cofactor JMY, but not Spire. Moreover, the double-mutant strategy opens the way for atomic mechanistic study of actin nucleation and polymerization. PMID:23727244

  4. Acoustic Effects in Classical Nucleation Theory

    Science.gov (United States)

    Baird, J. K.; Su, C.-H.

    2017-01-01

    The effect of sound wave oscillations on the rate of nucleation in a parent phase can be calculated by expanding the free energy of formation of a nucleus of the second phase in powers of the acoustic pressure. Since the period of sound wave oscillation is much shorter than the time scale for nucleation, the acoustic effect can be calculated as a time average of the free energy of formation of the nucleus. The leading non-zero term in the time average of the free energy is proportional to the square of the acoustic pressure. The Young-Laplace equation for the surface tension of the nucleus can be used to link the time average of the square of the pressure in the parent phase to its time average in the nucleus of the second phase. Due to the surface tension, the pressure in the nuclear phase is higher than the pressure in the parent phase. The effect is to lower the free energy of formation of the nucleus and increase the rate of nucleation.

  5. Soot Aerosol Particles as Cloud Condensation Nuclei: from Ice Nucleation Activity to Ice Crystal Morphology

    Science.gov (United States)

    Pirim, Claire; Ikhenazene, Raouf; Ortega, Isamel Kenneth; Carpentier, Yvain; Focsa, Cristian; Chazallon, Bertrand; Ouf, François-Xavier

    2016-04-01

    Emissions of solid-state particles (soot) from engine exhausts due to incomplete fuel combustion is considered to influence ice and liquid water cloud droplet activation [1]. The activity of these aerosols would originate from their ability to be important centers of ice-particle nucleation, as they would promote ice formation above water homogeneous freezing point. Soot particles are reported to be generally worse ice nuclei than mineral dust because they activate nucleation at higher ice-supersaturations for deposition nucleation and at lower temperatures for immersion freezing than ratios usually expected for homogeneous nucleation [2]. In fact, there are still numerous opened questions as to whether and how soot's physico-chemical properties (structure, morphology and chemical composition) can influence their nucleation ability. Therefore, systematic investigations of soot aerosol nucleation activity via one specific nucleation mode, here deposition nucleation, combined with thorough structural and compositional analyzes are needed in order to establish any association between the particles' activity and their physico-chemical properties. In addition, since the morphology of the ice crystals can influence their radiative properties [3], we investigated their morphology as they grow over both soot and pristine substrates at different temperatures and humidity ratios. In the present work, Combustion Aerosol STandart soot samples were produced from propane using various experimental conditions. Their nucleation activity was studied in deposition mode (from water vapor), and monitored using a temperature-controlled reactor in which the sample's relative humidity is precisely measured with a cryo-hygrometer. Formation of water/ice onto the particles is followed both optically and spectroscopically, using a microscope coupled to a Raman spectrometer. Vibrational signatures of hydroxyls (O-H) emerge when the particle becomes hydrated and are used to characterize ice

  6. Magnetotransport Properties of Graphene Nanoribbons with Zigzag Edges

    Science.gov (United States)

    Wu, Shuang; Liu, Bing; Shen, Cheng; Li, Si; Huang, Xiaochun; Lu, Xiaobo; Chen, Peng; Wang, Guole; Wang, Duoming; Liao, Mengzhou; Zhang, Jing; Zhang, Tingting; Wang, Shuopei; Yang, Wei; Yang, Rong; Shi, Dongxia; Watanabe, Kenji; Taniguchi, Takashi; Yao, Yugui; Wang, Weihua; Zhang, Guangyu

    2018-05-01

    The determination of the electronic structure by edge geometry is unique to graphene. In theory, an evanescent nonchiral edge state is predicted at the zigzag edges of graphene. Up to now, the approach used to study zigzag-edged graphene has mostly been limited to scanning tunneling microscopy. The transport properties have not been revealed. Recent advances in hydrogen plasma-assisted "top-down" fabrication of zigzag-edged graphene nanoribbons (Z-GNRs) have allowed us to investigate edge-related transport properties. In this Letter, we report the magnetotransport properties of Z-GNRs down to ˜70 nm wide on an h -BN substrate. In the quantum Hall effect regime, a prominent conductance peak is observed at Landau ν =0 , which is absent in GNRs with nonzigzag edges. The conductance peak persists under perpendicular magnetic fields and low temperatures. At a zero magnetic field, a nonlocal voltage signal, evidenced by edge conduction, is detected. These prominent transport features are closely related to the observable density of states at the hydrogen-etched zigzag edge of graphene probed by scanning tunneling spectroscopy, which qualitatively matches the theoretically predicted electronic structure for zigzag-edged graphene. Our study gives important insights for the design of new edge-related electronic devices.

  7. Distinct site- and state-selective dissociation of methyl-trifluoroacetate observed in core-electron excitation at the oxygen K-edge region

    Science.gov (United States)

    Yamanaka, T.; Tabayashi, K.; Maruyama, T.; Harada, C.; Yoshida, H.

    2009-11-01

    Distinct site- and state-selective dissociation following the O1s core-excitation has been found in the gaseous molecules of methyl trifluoroacetate (MTFA). The site- and state-selective dissociation was examined by measuring the branching ratios of dominant CH3+ and CHO+ fragments. The branching ratios from MTFA showed that site-selective dissociation takes place via the excitation from the different atomic sites to the same π*CO resonance state, (O1sCO-1π*CO) and (O1sOMe-1π*CO). A pronounced O1sOMe site-selectivity was identified by a significant increment of CHO+ formation at the (O1sOMe→π*CO) band. The site-selectivity was also justified by an equivalent core approximation using the density functional theory calculation. State-selective dissociation was identified among the (O1sOMe-1π*CO), (O1sOMe-1σ*O-Me) and (O1sOMe-1σ*C-OMe) transitions originated from the same OMe core. State-selective production of CH3+ could be found at the (O1sOMe→σ*O-Me) band, whereas state-selective formation of CHO+ was observed at the (O1sOMe→π*CO) and (O1sOMe→σ*C-OMe) bands.

  8. Edge currents in frustrated Josephson junction ladders

    Science.gov (United States)

    Marques, A. M.; Santos, F. D. R.; Dias, R. G.

    2016-09-01

    We present a numerical study of quasi-1D frustrated Josephson junction ladders with diagonal couplings and open boundary conditions, in the large capacitance limit. We derive a correspondence between the energy of this Josephson junction ladder and the expectation value of the Hamiltonian of an analogous tight-binding model, and show how the overall superconducting state of the chain is equivalent to the minimum energy state of the tight-binding model in the subspace of one-particle states with uniform density. To satisfy the constraint of uniform density, the superconducting state of the ladder is written as a linear combination of the allowed k-states of the tight-binding model with open boundaries. Above a critical value of the parameter t (ratio between the intra-rung and inter-rung Josephson couplings) the ladder spontaneously develops currents at the edges, which spread to the bulk as t is increased until complete coverage is reached. Above a certain value of t, which varies with ladder size (t = 1 for an infinite-sized ladder), the edge currents are destroyed. The value t = 1 corresponds, in the tight-binding model, to the opening of a gap between two bands. We argue that the disappearance of the edge currents with this gap opening is not coincidental, and that this points to a topological origin for these edge current states.

  9. The Inner Urban Edge

    Science.gov (United States)

    Ferebee, Ann; Carpenter, Edward K.

    1974-01-01

    In this article, renewal of the inner urban edge is discussed. Norfolk (Virginia) is attempting to blur the difference between old and new neighbor hoods through zoning and architectural controls. Cincinnati (Ohio) is developing an environmentally sound hillside design. Reading (Pennsylvania) is utilizing old railyards for greenbelts of hiking and…

  10. Electrostatic interactions govern both nucleation and elongation during phage P22 procapsid assembly

    International Nuclear Information System (INIS)

    Parent, Kristin N.; Doyle, Shannon M.; Anderson, Eric; Teschke, Carolyn M.

    2005-01-01

    Icosahedral capsid assembly is an example of a reaction controlled solely by the interactions of the proteins involved. Bacteriophage P22 procapsids can be assembled in vitro by mixing coat and scaffolding proteins in a nucleation-limited reaction, where scaffolding protein directs the proper assembly of coat protein. Here, we investigated the effect of the buffer composition on the interactions necessary for capsid assembly. Different concentrations of various salts, chosen to follow the electroselectivity series for anions, were added to the assembly reaction. The concentration and type of salt was found to be crucial for proper nucleation of procapsids. Nucleation in low salt concentrations readily occurred but led to bowl-like partial procapsids, as visualized by negative stain electron microscopy. The edge of the partial capsids remained assembly-competent since coat protein addition triggered procapsid completion. The addition of salt to the partial capsids also caused procapsid completion. In addition, each salt affected both assembly rates and the extent of procapsid formation. We hypothesize that low salt conditions increase the coat protein:scaffolding protein affinity, causing excessive nuclei to form, which decreases coat protein levels leading to incomplete assembly

  11. Nucleation and growth of copper phthalocyanine aggregates deposited from solution on planar surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Ghani, Fatemeh [Department of Theory & Bio-Systems, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1 Golm, 14476 Potsdam (Germany); Gojzewski, Hubert, E-mail: hubert.gojzewski@put.poznan.pl [Department of Theory & Bio-Systems, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1 Golm, 14476 Potsdam (Germany); Institute of Physics, Poznan University of Technology, Piotrowo 3, 60-965 Poznan (Poland); Riegler, Hans [Department of Theory & Bio-Systems, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1 Golm, 14476 Potsdam (Germany)

    2015-10-01

    Graphical abstract: - Highlights: • Copper phthalocyanine deposited on planar surfaces by 3 solution process methods. • Aggregate morphology examined for coverage extending over 3 orders of magnitude. • Morphologies vary from small individual domains to mesh-like multilayers. • Nucleation and growth model explains the observed deposit morphologies. - Abstract: Copper phthalocyanine (CuPc) dissolved in trifluoroacetic acid (TFA) is deposited on solid SiO{sub 2} surfaces by solvent evaporation. The deposited CuPc aggregates are investigated by atomic force microscopy (AFM). The CuPc deposits were prepared by spin casting, dip coating, and spray deposition. Depending on the amount of deposited CuPc the aggregate morphology ranges from small individual domains to mesh-like multilayers. Each domain/layer consists of many parallel stacks of CuPc molecules with the square, plate-like molecules piled face-wise within each stack. The parallel stacks are attached sideways (i.e., edgewise attachment molecularly) to the substrate forming “nanoribbons” with uniform thickness of about 1 nm and varying width. The thickness reflects the length of a molecular edge, the width the number of stacks. A nucleation and growth model is presented that explains the observed aggregate and multilayer morphologies as result of the combination of nucleation, transport processes and a consequence of the anisotropic intermolecular interactions due to the shape of the CuPc molecule.

  12. Edge dislocations in dicalcium silicates: Experimental observations and atomistic analysis

    International Nuclear Information System (INIS)

    Shahsavari, Rouzbeh; Chen, Lu; Tao, Lei

    2016-01-01

    Understanding defects and influence of dislocations on dicalcium silicates (Ca 2 SiO 4 ) is a challenge in cement science. We report a high-resolution transmission electron microscopy image of edge dislocations in Ca 2 SiO 4 , followed by developing a deep atomic understanding of the edge dislocation-mediated properties of five Ca 2 SiO 4 polymorphs. By decoding the interplay between core dislocation energies, core structures, and nucleation rate of reactivity, we find that γ-C2S and α-C2S polymorphs are the most favorable polymorphs for dislocations in Ca 2 SiO 4 , mainly due to their large pore channels which take away majority of the distortions imposed by edge dislocations. Furthermore, in the context of edge dislocation, while α-C2S represents the most active polymorph for reactivity and crystal growth, β-C2S represents the most brittle polymorph suitable for grinding. This work is the first report on the atomistic-scale analysis of edge dislocation-mediated properties of Ca 2 SiO 4 and may open up new opportunities for tuning fracture and reactivity processes of Ca 2 SiO 4 and other cement components.

  13. Are quantum spin Hall edge modes more resilient to disorder, sample geometry and inelastic scattering than quantum Hall edge modes?

    Science.gov (United States)

    Mani, Arjun; Benjamin, Colin

    2016-04-13

    On the surface of 2D topological insulators, 1D quantum spin Hall (QSH) edge modes occur with Dirac-like dispersion. Unlike quantum Hall (QH) edge modes, which occur at high magnetic fields in 2D electron gases, the occurrence of QSH edge modes is due to spin-orbit scattering in the bulk of the material. These QSH edge modes are spin-dependent, and chiral-opposite spins move in opposing directions. Electronic spin has a larger decoherence and relaxation time than charge. In view of this, it is expected that QSH edge modes will be more robust to disorder and inelastic scattering than QH edge modes, which are charge-dependent and spin-unpolarized. However, we notice no such advantage accrues in QSH edge modes when subjected to the same degree of contact disorder and/or inelastic scattering in similar setups as QH edge modes. In fact we observe that QSH edge modes are more susceptible to inelastic scattering and contact disorder than QH edge modes. Furthermore, while a single disordered contact has no effect on QH edge modes, it leads to a finite charge Hall current in the case of QSH edge modes, and thus a vanishing of the pure QSH effect. For more than a single disordered contact while QH states continue to remain immune to disorder, QSH edge modes become more susceptible--the Hall resistance for the QSH effect changes sign with increasing disorder. In the case of many disordered contacts with inelastic scattering included, while quantization of Hall edge modes holds, for QSH edge modes a finite charge Hall current still flows. For QSH edge modes in the inelastic scattering regime we distinguish between two cases: with spin-flip and without spin-flip scattering. Finally, while asymmetry in sample geometry can have a deleterious effect in the QSH case, it has no impact in the QH case.

  14. Are quantum spin Hall edge modes more resilient to disorder, sample geometry and inelastic scattering than quantum Hall edge modes?

    International Nuclear Information System (INIS)

    Mani, Arjun; Benjamin, Colin

    2016-01-01

    On the surface of 2D topological insulators, 1D quantum spin Hall (QSH) edge modes occur with Dirac-like dispersion. Unlike quantum Hall (QH) edge modes, which occur at high magnetic fields in 2D electron gases, the occurrence of QSH edge modes is due to spin–orbit scattering in the bulk of the material. These QSH edge modes are spin-dependent, and chiral-opposite spins move in opposing directions. Electronic spin has a larger decoherence and relaxation time than charge. In view of this, it is expected that QSH edge modes will be more robust to disorder and inelastic scattering than QH edge modes, which are charge-dependent and spin-unpolarized. However, we notice no such advantage accrues in QSH edge modes when subjected to the same degree of contact disorder and/or inelastic scattering in similar setups as QH edge modes. In fact we observe that QSH edge modes are more susceptible to inelastic scattering and contact disorder than QH edge modes. Furthermore, while a single disordered contact has no effect on QH edge modes, it leads to a finite charge Hall current in the case of QSH edge modes, and thus a vanishing of the pure QSH effect. For more than a single disordered contact while QH states continue to remain immune to disorder, QSH edge modes become more susceptible—the Hall resistance for the QSH effect changes sign with increasing disorder. In the case of many disordered contacts with inelastic scattering included, while quantization of Hall edge modes holds, for QSH edge modes a finite charge Hall current still flows. For QSH edge modes in the inelastic scattering regime we distinguish between two cases: with spin-flip and without spin-flip scattering. Finally, while asymmetry in sample geometry can have a deleterious effect in the QSH case, it has no impact in the QH case. (paper)

  15. Interaction of the nucleation phenomena at adjacent sites in nucleate boiling

    International Nuclear Information System (INIS)

    Sultan, M.; Judd, R.L.

    1983-01-01

    The present investigation is an original study in nucleate pool boiling heat transfer combining theory and experiment in which water boiling at atmospheric pressure on a single copper surface at two different levels of heat and different levels of subcooling was studied. Cross spectral analysis of the signals generated by the emission of bubbles at adjacent nucleation sites was used to determine the relationship of the time elapsed between the start of bubble growth at the two neighbouring active sites with the distance separating them. The experimental results obtained indicated that for the lower level of heat flux at three different levels of subcooling, the elapsed time and distance were directly related. Theoretical predictions of a temperature disturbance propagating through the heating surface in the radial direction gave good agreement with the experimental findings, suggesting that this is the mechanism responsible for the activation of the surrounding nucleation sites

  16. Effects of shear flow on phase nucleation and crystallization.

    Science.gov (United States)

    Mura, Federica; Zaccone, Alessio

    2016-04-01

    Classical nucleation theory offers a good framework for understanding the common features of new phase formation processes in metastable homogeneous media at rest. However, nucleation processes in liquids are ubiquitously affected by hydrodynamic flow, and there is no satisfactory understanding of whether shear promotes or slows down the nucleation process. We developed a classical nucleation theory for sheared systems starting from the molecular level of the Becker-Doering master kinetic equation and we analytically derived a closed-form expression for the nucleation rate. The theory accounts for the effect of flow-mediated transport of molecules to the nucleus of the new phase, as well as for the mechanical deformation imparted to the nucleus by the flow field. The competition between flow-induced molecular transport, which accelerates nucleation, and flow-induced nucleus straining, which lowers the nucleation rate by increasing the nucleation energy barrier, gives rise to a marked nonmonotonic dependence of the nucleation rate on the shear rate. The theory predicts an optimal shear rate at which the nucleation rate is one order of magnitude larger than in the absence of flow.

  17. Recent progress on understanding the mechanisms of amyloid nucleation.

    Science.gov (United States)

    Chatani, Eri; Yamamoto, Naoki

    2018-04-01

    Amyloid fibrils are supramolecular protein assemblies with a fibrous morphology and cross-β structure. The formation of amyloid fibrils typically follows a nucleation-dependent polymerization mechanism, in which a one-step nucleation scheme has widely been accepted. However, a variety of oligomers have been identified in early stages of fibrillation, and a nucleated conformational conversion (NCC) mechanism, in which oligomers serve as a precursor of amyloid nucleation and convert to amyloid nuclei, has been proposed. This development has raised the need to consider more complicated multi-step nucleation processes in addition to the simplest one-step process, and evidence for the direct involvement of oligomers as nucleation precursors has been obtained both experimentally and theoretically. Interestingly, the NCC mechanism has some analogy with the two-step nucleation mechanism proposed for inorganic and organic crystals and protein crystals, although a more dramatic conformational conversion of proteins should be considered in amyloid nucleation. Clarifying the properties of the nucleation precursors of amyloid fibrils in detail, in comparison with those of crystals, will allow a better understanding of the nucleation of amyloid fibrils and pave the way to develop techniques to regulate it.

  18. Rate of Homogenous Nucleation of Ice in Supercooled Water.

    Science.gov (United States)

    Atkinson, James D; Murray, Benjamin J; O'Sullivan, Daniel

    2016-08-25

    The homogeneous freezing of water is of fundamental importance to a number of fields, including that of cloud formation. However, there is considerable scatter in homogeneous nucleation rate coefficients reported in the literature. Using a cold stage droplet system designed to minimize uncertainties in temperature measurements, we examined the freezing of over 1500 pure water droplets with diameters between 4 and 24 μm. Under the assumption that nucleation occurs within the bulk of the droplet, nucleation rate coefficients fall within the spread of literature data and are in good agreement with a subset of more recent measurements. To quantify the relative importance of surface and volume nucleation in our experiments, where droplets are supported by a hydrophobic surface and surrounded by oil, comparison of droplets with different surface area to volume ratios was performed. From our experiments it is shown that in droplets larger than 6 μm diameter (between 234.6 and 236.5 K), nucleation in the interior is more important than nucleation at the surface. At smaller sizes we cannot rule out a significant contribution of surface nucleation, and in order to further constrain surface nucleation, experiments with smaller droplets are necessary. Nevertheless, in our experiments, it is dominantly volume nucleation controlling the observed nucleation rate.

  19. A review of phosphate mineral nucleation in biology and geobiology.

    Science.gov (United States)

    Omelon, Sidney; Ariganello, Marianne; Bonucci, Ermanno; Grynpas, Marc; Nanci, Antonio

    2013-10-01

    Relationships between geological phosphorite deposition and biological apatite nucleation have often been overlooked. However, similarities in biological apatite and phosphorite mineralogy suggest that their chemical formation mechanisms may be similar. This review serves to draw parallels between two newly described phosphorite mineralization processes, and proposes a similar novel mechanism for biologically controlled apatite mineral nucleation. This mechanism integrates polyphosphate biochemistry with crystal nucleation theory. Recently, the roles of polyphosphates in the nucleation of marine phosphorites were discovered. Marine bacteria and diatoms have been shown to store and concentrate inorganic phosphate (Pi) as amorphous, polyphosphate granules. Subsequent release of these P reserves into the local marine environment as Pi results in biologically induced phosphorite nucleation. Pi storage and release through an intracellular polyphosphate intermediate may also occur in mineralizing oral bacteria. Polyphosphates may be associated with biologically controlled apatite nucleation within vertebrates and invertebrates. Historically, biological apatite nucleation has been attributed to either a biochemical increase in local Pi concentration or matrix-mediated apatite nucleation control. This review proposes a mechanism that integrates both theories. Intracellular and extracellular amorphous granules, rich in both calcium and phosphorus, have been observed in apatite-biomineralizing vertebrates, protists, and atremate brachiopods. These granules may represent stores of calcium-polyphosphate. Not unlike phosphorite nucleation by bacteria and diatoms, polyphosphate depolymerization to Pi would be controlled by phosphatase activity. Enzymatic polyphosphate depolymerization would increase apatite saturation to the level required for mineral nucleation, while matrix proteins would simultaneously control the progression of new biological apatite formation.

  20. Atmospheric nucleation: highlights of the EUCAARI project and future directions

    Directory of Open Access Journals (Sweden)

    V.-M. Kerminen

    2010-11-01

    Full Text Available Within the project EUCAARI (European Integrated project on Aerosol Cloud Climate and Air Quality interactions, atmospheric nucleation was studied by (i developing and testing new air ion and cluster spectrometers, (ii conducting homogeneous nucleation experiments for sulphate and organic systems in the laboratory, (iii investigating atmospheric nucleation mechanism under field conditions, and (iv applying new theoretical and modelling tools for data interpretation and development of parameterisations. The current paper provides a synthesis of the obtained results and identifies the remaining major knowledge gaps related to atmospheric nucleation. The most important technical achievement of the project was the development of new instruments for measuring sub-3 nm particle populations, along with the extensive application of these instruments in both the laboratory and the field. All the results obtained during EUCAARI indicate that sulphuric acid plays a central role in atmospheric nucleation. However, also vapours other than sulphuric acid are needed to explain the nucleation and the subsequent growth processes, at least in continental boundary layers. Candidate vapours in this respect are some organic compounds, ammonia, and especially amines. Both our field and laboratory data demonstrate that the nucleation rate scales to the first or second power of the nucleating vapour concentration(s. This agrees with the few earlier field observations, but is in stark contrast with classical thermodynamic nucleation theories. The average formation rates of 2-nm particles were found to vary by almost two orders of magnitude between the different EUCAARI sites, whereas the formation rates of charged 2-nm particles varied very little between the sites. Overall, our observations are indicative of frequent, yet moderate, ion-induced nucleation usually outweighed by much stronger neutral nucleation events in the continental lower troposphere. The most concrete

  1. Edge and coupled core/edge transport modelling in tokamaks

    International Nuclear Information System (INIS)

    Lodestro, L.L.; Casper, T.A.; Cohen, R.H.

    1999-01-01

    Recent advances in the theory and modelling of tokamak edge, scrape-off-layer (SOL) and divertor plasmas are described. The effects of the poloidal E x B drift on inner/outer divertor-plate asymmetries within a 1D analysis are shown to be in good agreement with experimental trends; above a critical v ExB , the model predicts transitions to supersonic flow at the inboard midplane. 2D simulations show the importance of E x B flow in the private-flux region and of ∇ B-drifts. A theory of rough plasma-facing surfaces is given, predicting modifications to the SOL plasma. The parametric dependence of detached-plasma states in slab geometry has been explored; with sufficient pumping, the location of the ionization front can be controlled; otherwise only fronts near the plate or the X-point are stable. Studies with a more accurate Monte-Carlo neutrals model and a detailed non-LTE radiation-transport code indicate various effects are important for quantitative modelling. Detailed simulations of the DIII-D core and edge are presented; impurity and plasma flow are discussed and shown to be well modelled with UEDGE. (author)

  2. Edge and coupled core-edge transport modelling in tokamaks

    International Nuclear Information System (INIS)

    Lodestro, L.L.; Casper, T.A.; Cohen, R.H.

    2001-01-01

    Recent advances in the theory and modelling of tokamak edge, scrape-off-layer (SOL) and divertor plasmas are described. The effects of the poloidal ExB drift on inner/outer divertor-plate asymmetries within a 1D analysis are shown to be in good agreement with experimental trends; above a critical v ExB, the model predicts transitions to supersonic SOL flow at the inboard midplane. 2D simulations show the importance of ExB flow in the private-flux region and of ∇ B-drifts. A theory of rough plasma-facing surfaces is given, predicting modifications to the SOL plasma. The parametric dependence of detached-plasma states in slab geometry has been explored; with sufficient pumping, the location of the ionization front can be controlled; otherwise only fronts near the plate or the X-point are stable. Studies with a more accurate Monte-Carlo neutrals model and a detailed non-LTE radiation-transport code indicate various effects are important for quantitative modelling. Detailed simulations of the DIII-D core and edge are presented; impurity and plasma flow are discussed and shown to be well modelled with UEDGE. (author)

  3. Influence of edge roughness on graphene nanoribbon resonant tunnelling diodes

    International Nuclear Information System (INIS)

    Liang Gengchiau; Khalid, Sharjeel Bin; Lam, Kai-Tak

    2010-01-01

    The edge roughness effects of graphene nanoribbons on their application in resonant tunnelling diodes with different geometrical shapes (S, H and W) were investigated. Sixty samples for each 5%, 10% and 15% edge roughness conditions of these differently shaped graphene nanoribbon resonant tunnelling diodes were randomly generated and studied. Firstly, it was observed that edge roughness in the barrier regions decreases the effective barrier height and thickness, which increases the broadening of the quantized states in the quantum well due to the enhanced penetration of the wave-function tail from the electrodes. Secondly, edge roughness increases the effective width of the quantum well and causes the lowering of the quantized states. Furthermore, the shape effects on carrier transport are modified by edge roughness due to different interfacial scattering. Finally, with the effects mentioned above, edge roughness has a considerable impact on the device performance in terms of varying the peak-current positions and degrading the peak-to-valley current ratio.

  4. Thermally activated vapor bubble nucleation: The Landau-Lifshitz-Van der Waals approach

    Science.gov (United States)

    Gallo, Mirko; Magaletti, Francesco; Casciola, Carlo Massimo

    2018-05-01

    Vapor bubbles are formed in liquids by two mechanisms: evaporation (temperature above the boiling threshold) and cavitation (pressure below the vapor pressure). The liquid resists in these metastable (overheating and tensile, respectively) states for a long time since bubble nucleation is an activated process that needs to surmount the free energy barrier separating the liquid and the vapor states. The bubble nucleation rate is difficult to assess and, typically, only for extremely small systems treated at an atomistic level of detail. In this work a powerful approach, based on a continuum diffuse interface modeling of the two-phase fluid embedded with thermal fluctuations (fluctuating hydrodynamics), is exploited to study the nucleation process in homogeneous conditions, evaluating the bubble nucleation rates and following the long-term dynamics of the metastable system, up to the bubble coalescence and expansion stages. In comparison with more classical approaches, this methodology allows us on the one hand to deal with much larger systems observed for a much longer time than possible with even the most advanced atomistic models. On the other, it extends continuum formulations to thermally activated processes, impossible to deal with in a purely determinist setting.

  5. Earthquake simulations with time-dependent nucleation and long-range interactions

    Directory of Open Access Journals (Sweden)

    J. H. Dieterich

    1995-01-01

    Full Text Available A model for rapid simulation of earthquake sequences is introduced which incorporates long-range elastic interactions among fault elements and time-dependent earthquake nucleation inferred from experimentally derived rate- and state-dependent fault constitutive properties. The model consists of a planar two-dimensional fault surface which is periodic in both the x- and y-directions. Elastic interactions among fault elements are represented by an array of elastic dislocations. Approximate solutions for earthquake nucleation and dynamics of earthquake slip are introduced which permit computations to proceed in steps that are determined by the transitions from one sliding state to the next. The transition-driven time stepping and avoidance of systems of simultaneous equations permit rapid simulation of large sequences of earthquake events on computers of modest capacity, while preserving characteristics of the nucleation and rupture propagation processes evident in more detailed models. Earthquakes simulated with this model reproduce many of the observed spatial and temporal characteristics of clustering phenomena including foreshock and aftershock sequences. Clustering arises because the time dependence of the nucleation process is highly sensitive to stress perturbations caused by nearby earthquakes. Rate of earthquake activity following a prior earthquake decays according to Omori's aftershock decay law and falls off with distance.

  6. Edge reconstruction effect in pristine and H-passivated zigzag silicon carbide nanoribbons.

    Science.gov (United States)

    Lou, Ping

    2011-10-14

    The edge reconstruction effect of the zigzag silicon carbide nanoribbons (zz SiC NRs) to a stable line of alternatively fused seven and five membered rings without and with H passivation have been studied using first principles density functional theory (DFT). The both side's edges of the pristine SiC are respectively terminated by Si and C atoms and are called the Si-edge and the C-edge, respectively. In the un-passivated systems, the C-edge reconstructed (Crc) could effectively lower the edge energy of the system, while the Si-edge reconstructed (Sirc) could raise the edge energy of the system. Thus, the Crc edge is the best edge for the edge reconstruction of the system, while the both edge reconstructed (brc) system is the metastability. Moreover, the brc system has a nonmagnetic metallic state, whereas the Crc system, as well as Sirc system, has a ferromagnetic metallic state. The edge reconstructed destroys the magnetic moment of the corresponding edge atoms. The magnetic moment arises from the unreconstructed zigzag edges. The pristine zz edge system has a ferrimagnetic metallic state. However, in the H-passivated systems, the unreconstructed zigzag edge (zz-H) is the best edge. The Crc-H system is the metastability. The Sirc-H system has only slightly higher energy than the Crc-H system, whereas the brc-H system of the pristine SiC NR has the highest edge energy. Thus, the H passivation would prevent the occurrence of edge reconstruction. Moreover, H passivation induces a metal-semiconductor transition in the zz and brc SiC NRs. Additionally, except for brc-H system which has non-magnetic semiconducting state, the zz-H, Crc-H, and Sirc-H systems have the magnetic state.

  7. Identification & Characterization of Fungal Ice Nucleation Proteins

    Science.gov (United States)

    Scheel, Jan Frederik; Kunert, Anna Theresa; Kampf, Christopher Johannes; Mauri, Sergio; Weidner, Tobias; Pöschl, Ulrich; Fröhlich-Nowoisky, Janine

    2016-04-01

    Freezing of water at relatively warm subfreezing temperatures is dependent on ice nucleation catalysis facilitated by ice nuclei (IN). These IN can be of various origins and although extensive research was done and progress was achieved, the nature and mechanisms leading to an effective IN are to date still poorly understood. Some of the most important processes of our geosphere like the water cycle are highly dependent on effective ice nucleation at temperatures between -2°C - -8°C, a temperature range which is almost exclusively covered by biological IN (BioIN). BioIN are usually macromolecular structures of biological polymers. Sugars as well as proteins have been reported to serve as IN and the best characterized BioIN are ice nucleation proteins (IN-P) from gram negative bacteria. Fungal strains from Fusarium spp. were described to be effective IN at subfreezing temperatures up to -2°C already 25 years ago and more and more fungal species are described to serve as efficient IN. Fungal IN are also thought to be proteins or at least contain a proteinaceous compound, but to date the fungal IN-P primary structure as well as their coding genetic elements of all IN active fungi are unknown. The aim of this study is a.) to identify the proteins and their coding genetic elements from IN active fungi (F. acuminatum, F. avenaceum, M. alpina) and b.) to characterize the mechanisms by which fungal IN serve as effective IN. We designed an interdisciplinary approach using biological, analytical and physical methods to identify fungal IN-P and describe their biological, chemical, and physical properties.

  8. Evolution of particle composition in CLOUD nucleation experiments

    CERN Document Server

    Keskinen, H; Joutsensaari, J; Tsagkogeorgas, G; Duplissy, J; Schobesberger, S; Gysel, M; Riccobono, F; Bianchi, F; Yli-Juuti, T; Lehtipalo, K; Rondo, L; Breitenlechner, M; Kupc, A; Almeida, J; Amorim, A; Dunne, E M; Downard, A J; Ehrhart, S; Franchin, A; Kajos, M K; Kirkby, J; Kurten, A; Nieminen, T; Makhmutov, V; Mathot, S; Miettinen, P; Onnela, A; Petaja, T; Praplan, A; Santos, F D; Schallhart, S; Sipila, M; Stozhkov, Y; Tome, A; Vaattovaara, P; Wimmer, D; Prevot, A; Dommen, J; Donahue, N M; Flagan, R C; Weingartner, E; Viisanen, Y; Riipinen, I; Hansel, A; Curtius, J; Kulmala, M; Worsnop, D R; Baltensperger, U; Wex, H; Stratmann, F; Laaksonen, A; Slowik, J G

    2013-01-01

    Sulphuric acid, ammonia, amines, and oxidised organics play a crucial role in nanoparticle formation in the atmosphere. In this study, we investigate the composition of nucleated nanoparticles formed from these compounds in the CLOUD (Cosmics Leaving Outdoor Droplets) chamber experiments at CERN (Centre europ ́ een pour la recherche nucl ́ eaire). The investigation was carried out via analysis of the particle hygroscopicity, ethanol affinity, oxidation state, and ion composition. Hygroscopicity was studied by a hygroscopic tandem differential mobility analyser and a cloud condensation nuclei counter, ethanol affinity by an organic differential mobility analyser and particle oxidation level by a high-resolution time-of-flight aerosol mass spectrometer. The ion composition was studied by an atmospheric pressure interface time-of-flight mass spectrometer. The volume fraction of the organics in the particles during theirgrowth from sizes of a few nanometers to tens of nanometers was derived from measured hygros...

  9. ICRF edge modeling

    International Nuclear Information System (INIS)

    1991-01-01

    This report describes the technical progress for the DOE sponsored grant, ''ICRF Edge Modeling.'' An emphasis is placed on the progress since the Technical Progress Report (January 10, 1990) was submitted to the Department of Energy. The design of ICRF antennas for C-Mod and TFTR was investigated during this period. In addition, quasilinear models for electron heating were refined and applied to the design of ICRF antennas. The relevant professional activities sponsored by this grant are given. 4 refs., 11 figs

  10. Aerosol nucleation induced by a high energy particle beam

    DEFF Research Database (Denmark)

    Enghoff, Martin Andreas Bødker; Pedersen, Jens Olaf Pepke; Uggerhøj, Ulrik I.

    The effect of ions in aerosol nucleation is a subject where much remains to be discovered. That ions can enhance nucleation has been shown by theory, observations, and experiments. However, the exact mechanism still remains to be determined. One question is if the nature of the ionization affects...... the nucleation. This is an essential question since many experiments have been performed using radioactive sources that ionize differently than the cosmic rays which are responsible for the majority of atmospheric ionization. Here we report on an experimental study of sulphuric acid aerosol nucleation under near...... atmospheric conditions using a 580 MeV electron beam to ionize the volume of the reaction chamber. We find a clear and significant contribution from ion induced nucleation and consider this to be an unambiguous observation of the ion-effect on aerosol nucleation using a particle beam under conditions not far...

  11. Experimental investigation of the role of ions in aerosol nucleation

    DEFF Research Database (Denmark)

    Enghoff, Martin Andreas Bødker

    The role of ions in producing aerosols in Earth’s atmosphere is an area of very active research. Atmospheric and experimental observations have shown that the nucleation of aerosol particles can occur under conditions that cannot be explained by classical nucleation theory. Several ideas have been...... put forward to solve this nucleation problem, e.g. Ion-Induced Nucleation and Ternary Nucleation. Experimental investigations exploring the role of ions in particle production are scarce, and often at conditions far removed from those relevant for the lower part of the atmosphere. Recent experimental...... were grown using photochemically produced sulphuric acid and ionization levels were controlled with a Cs-137 gamma-source. An increase in nucleation was observed when the chamber was exposed to the radioactive source. The results were analyzed using a model based on the General Dynamic Equation...

  12. A nucleator arms race: cellular control of actin assembly.

    Science.gov (United States)

    Campellone, Kenneth G; Welch, Matthew D

    2010-04-01

    For over a decade, the actin-related protein 2/3 (ARP2/3) complex, a handful of nucleation-promoting factors and formins were the only molecules known to directly nucleate actin filament formation de novo. However, the past several years have seen a surge in the discovery of mammalian proteins with roles in actin nucleation and dynamics. Newly recognized nucleation-promoting factors, such as WASP and SCAR homologue (WASH), WASP homologue associated with actin, membranes and microtubules (WHAMM), and junction-mediating regulatory protein (JMY), stimulate ARP2/3 activity at distinct cellular locations. Formin nucleators with additional biochemical and cellular activities have also been uncovered. Finally, the Spire, cordon-bleu and leiomodin nucleators have revealed new ways of overcoming the kinetic barriers to actin polymerization.

  13. Bubble nucleation in an explosive micro-bubble actuator

    International Nuclear Information System (INIS)

    Van den Broek, D M; Elwenspoek, M

    2008-01-01

    Explosive evaporation occurs when a thin layer of liquid reaches a temperature close to the critical temperature in a very short time. At these temperatures spontaneous nucleation takes place. The nucleated bubbles instantly coalesce forming a vapour film followed by rapid growth due to the pressure impulse. In this paper we take a closer look at the bubble nucleation. The moment of bubble nucleation was determined by both stroboscopic imaging and resistance thermometry. Two nucleation regimes could be distinguished. Several different heater designs were investigated under heat fluxes of hundreds of W mm −2 . A close correspondence between current density in the heater and point of nucleation was found. This results in design rules for effective heaters

  14. Binary Homogeneous Nucleation in Selected Aqueous

    Czech Academy of Sciences Publication Activity Database

    Maršík, František; Němec, Tomáš; Hrubý, Jan; Demo, Pavel; Kožíšek, Zdeněk; Petr, V.; Kolovratník, M.

    2008-01-01

    Roč. 37, č. 12 (2008), s. 1671-1708 ISSN 0095-9782 R&D Projects: GA ČR(CZ) GA101/05/2524; GA AV ČR KJB400760701; GA MŠk(CZ) 1M06031; GA AV ČR IBS2076003 Institutional research plan: CEZ:AV0Z20760514; CEZ:AV0Z10100520 Keywords : nucleation * steam * theory Subject RIV: BJ - Thermodynamics Impact factor: 1.241, year: 2008 http://www.springerlink.com/content/104381/

  15. ICRF edge modeling studies

    Energy Technology Data Exchange (ETDEWEB)

    Lehrman, I.S. (Grumman Corp. Research Center, Princeton, NJ (USA)); Colestock, P.L. (Princeton Univ., NJ (USA). Plasma Physics Lab.)

    1990-04-01

    Theoretical models have been developed, and are currently being refined, to explain the edge plasma-antenna interaction that occurs during ICRF heating. The periodic structure of a Faraday shielded antenna is found to result in strong ponderomotive force in the vicinity of the antenna. A fluid model, which incorporates the ponderomotive force, shows an increase in transport to the Faraday shield. A kinetic model shows that the strong antenna near fields act to increase the energy of deuterons which strike the shield, thereby increasing the sputtering of shield material. Estimates of edge impurity harmonic heating show no significant heating for either in or out-of-phase antenna operation. Additionally, a particle model for electrons near the shield shows that heating results from the parallel electric field associated with the fast wave. A quasilinear model for edge electron heating is presented and compared to the particle calculations. The models' predictions are shown to be consistent with measurements of enhanced transport. (orig.).

  16. Nucleation and growth of voids by radiation. Pt. 2

    International Nuclear Information System (INIS)

    Mayer, R.M.; Brown, L.M.

    1980-01-01

    The original model of Brown, Kelly and Mayer [1] for the nucleation of interstitial loops has been extended to take into account the following: (i) mobility of the vacancies, (ii) generation and migration of gas atoms during irradiation, (iii) nucleation and growth of voids, and (iv) vacancy emission from voids and clusters at high temperatures. Using chemicalrate equations, additional expressions are formulated for the nucleation and growth of vacancy loops and voids. (orig.)

  17. Theory on the Mechanism of DNA Renaturation: Stochastic Nucleation and Zipping.

    Directory of Open Access Journals (Sweden)

    Gnanapragasam Niranjani

    Full Text Available Renaturation of the complementary single strands of DNA is one of the important processes that requires better understanding in the view of molecular biology and biological physics. Here we develop a stochastic dynamical model on the DNA renaturation. According to our model there are at least three steps in the renaturation process viz. nonspecific-contact formation, correct-contact formation and nucleation, and zipping. Most of the earlier two-state models combined nucleation with nonspecific-contact formation step. In our model we suggest that it is considerably meaningful when we combine the nucleation with the zipping since nucleation is the initial step of zipping and nucleated and zipping molecules are indistinguishable. Nonspecific contact formation step is a pure three-dimensional diffusion controlled collision process. Whereas nucleation involves several rounds of one-dimensional slithering and internal displacement dynamics of one single strand of DNA on the other complementary strand in the process of searching for the correct-contact and then initiate nucleation. Upon nucleation, the stochastic zipping follows to generate a fully renatured double stranded DNA. It seems that the square-root dependency of the overall renaturation rate constant on the length of reacting single strands originates mainly from the geometric constraints in the diffusion controlled nonspecific-contact formation step. Further the inverse scaling of the renaturation rate on the viscosity of reaction medium also originates from nonspecific contact formation step. On the other hand the inverse scaling of the renaturation rate with the sequence complexity originates from the stochastic zipping which involves several rounds of crossing over the free-energy barrier at microscopic levels. When the sequence of renaturing single strands of DNA is repetitive with less complexity then the cooperative effects will not be noticeable since the parallel zipping will be a

  18. Smoothness in Binomial Edge Ideals

    Directory of Open Access Journals (Sweden)

    Hamid Damadi

    2016-06-01

    Full Text Available In this paper we study some geometric properties of the algebraic set associated to the binomial edge ideal of a graph. We study the singularity and smoothness of the algebraic set associated to the binomial edge ideal of a graph. Some of these algebraic sets are irreducible and some of them are reducible. If every irreducible component of the algebraic set is smooth we call the graph an edge smooth graph, otherwise it is called an edge singular graph. We show that complete graphs are edge smooth and introduce two conditions such that the graph G is edge singular if and only if it satisfies these conditions. Then, it is shown that cycles and most of trees are edge singular. In addition, it is proved that complete bipartite graphs are edge smooth.

  19. Understanding the edge effect in wetting: a thermodynamic approach.

    Science.gov (United States)

    Fang, Guoping; Amirfazli, A

    2012-06-26

    Edge effect is known to hinder spreading of a sessile drop. However, the underlying thermodynamic mechanisms responsible for the edge effect still is not well-understood. In this study, a free energy model has been developed to investigate the energetic state of drops on a single pillar (from upright frustum to inverted frustum geometries). An analysis of drop free energy levels before and after crossing the edge allows us to understand the thermodynamic origin of the edge effect. In particular, four wetting cases for a drop on a single pillar with different edge angles have been determined by understanding the characteristics of FE plots. A wetting map describing the four wetting cases is given in terms of edge angle and intrinsic contact angle. The results show that the free energy barrier observed near the edge plays an important role in determining the drop states, i.e., (1) stable or metastable drop states at the pillar's edge, and (2) drop collapse by liquid spilling over the edge completely or staying at an intermediate sidewall position of the pillar. This thermodynamic model presents an energetic framework to describe the functioning of the so-called "re-entrant" structures. Results show good consistency with the literature and expand the current understanding of Gibbs' inequality condition.

  20. Aerosol nucleation in an ultra-low ion density environment

    DEFF Research Database (Denmark)

    Pedersen, Jens Olaf Pepke; Enghoff, Martin Andreas Bødker; Paling, Sean M.

    2012-01-01

    Ion-induced nucleation has been studied in a deep underground ultra-low background radiation environment where the role of ions can be distinguished from alternative neutral aerosol nucleation mechanisms. Our results demonstrate that ions have a significant effect on the production of small...... sulfuric acid–water clusters over a range of sulfuric acid concentrations although neutral nucleation mechanisms remain evident at low ionization levels. The effect of ions is found both to enhance the nucleation rate of stable clusters and the initial growth rate. The effects of possible contaminations...

  1. Nucleation in As2Se3 glass studied by DSC

    International Nuclear Information System (INIS)

    Svoboda, Roman; Málek, Jiří

    2014-01-01

    Highlights: • Nucleation behavior of As 2 Se 3 glass was studied by DSC in dependence on particle size. • Correlation between the enthalpies of fusion and crystallization were confirmed. • Apart from classical heterogeneous nucleation a second nucleation mechanism was found. • Rapid formation of crystallization centers from a damaged glassy structure occurs. • Mechanical defects seem to partially suppress the CNT nucleation process. - Abstract: Differential scanning calorimetry was used to study nucleation behavior in As 2 Se 3 glass, dependent on particle size. The nucleation process was examined for a series of different coarse powders; the nucleation rate was estimated from the proportion of the crystalline material fraction. The enthalpy of fusion was utilized in this respect, and a correlation between ΔH m and ΔH c was confirmed. Two mechanisms of nucleus formation were found: classical heterogeneous nucleation (following CNT) and so-called “activation” of mechanically-induced defects. The latter appears to represent rapid formation of crystallization centers from a damaged glassy structure, where complete saturation occurs for fine powders in the range of 195–235 °C. A high amount of mechanical defects, on the other hand, was found to partially suppress the CNT nucleation process

  2. Thermal interaction effect on nucleation site distribution in subcooled boiling

    International Nuclear Information System (INIS)

    Zou, Ling; Jones, Barclay

    2012-01-01

    An experimental work on subcooled boiling of refrigerant, R134a, to examine nucleation site distributions on both copper and stainless steel heating surfaces was performed. In order to obtain high fidelity active nucleation site density and distribution data, a high-speed digital camera was utilized to record bubble emission images from a view normal to heating surfaces. Statistical analyses on nucleation site data were done and their statistical distributions were obtained. Those experimentally observed nucleation site distributions were compared to the random spatial Poisson distribution. The comparisons showed that, rather than purely random, active nucleation site distributions on boiling surfaces are relatively more uniform. Experimental results also showed that on the copper heating surface, nucleation site distributions are slightly more uniform than on the stainless steel surface. This was concluded as the results of thermal interactions between nucleation sites with different solid thermal conductivities. A two dimensional thermal interaction model was then developed to quantitatively examine the thermal interactions between nucleation sites. The results give a reasonable explanation to the experimental observation on nucleation site distributions.

  3. Fatigue crack nucleation of type 316LN stainless steel

    International Nuclear Information System (INIS)

    Kim, Dae Whan; Kim, Woo Gon; Hong, Jun Hwa; Ryu, Woo Seog

    2000-01-01

    Low Cycle Fatigue (LCF) life decreases drastically with increasing temperature but increases with the addition of nitrogen at room and high temperatures. The effect of nitrogen on LCF life may be related to crack nucleation at high temperatures in austenitic stainless steel because the fraction of crack nucleation in LCF life is about 40%. The influence of nitrogen on the crack nucleation of LCF in type 316LN stainless steel is investigated by observations of crack population and crack depth after testing at 40% of fatigue life. Nitrogen increases the number of cycles to nucleate microcracks of 100 μm but decreases the crack population

  4. Determination of critical nucleation number for a single nucleation amyloid-β aggregation model.

    Science.gov (United States)

    Ghosh, Preetam; Vaidya, Ashwin; Kumar, Amit; Rangachari, Vijayaraghavan

    2016-03-01

    Aggregates of amyloid-β (Aβ) peptide are known to be the key pathological agents in Alzheimer disease (AD). Aβ aggregates to form large, insoluble fibrils that deposit as senile plaques in AD brains. The process of aggregation is nucleation-dependent in which the formation of a nucleus is the rate-limiting step, and controls the physiochemical fate of the aggregates formed. Therefore, understanding the properties of nucleus and pre-nucleation events will be significant in reducing the existing knowledge-gap in AD pathogenesis. In this report, we have determined the plausible range of critical nucleation number (n(*)), the number of monomers associated within the nucleus for a homogenous aggregation model with single unique nucleation event, by two independent methods: A reduced-order stability analysis and ordinary differential equation based numerical analysis, supported by experimental biophysics. The results establish that the most likely range of n(*) is between 7 and 14 and within, this range, n(*) = 12 closely supports the experimental data. These numbers are in agreement with those previously reported, and importantly, the report establishes a new modeling framework using two independent approaches towards a convergent solution in modeling complex aggregation reactions. Our model also suggests that the formation of large protofibrils is dependent on the nature of n(*), further supporting the idea that pre-nucleation events are significant in controlling the fate of larger aggregates formed. This report has re-opened an old problem with a new perspective and holds promise towards revealing the molecular events in amyloid pathologies in the future. Copyright © 2015 Elsevier Inc. All rights reserved.

  5. Earthquake nucleation in weak subducted carbonates

    Science.gov (United States)

    Kurzawski, Robert M.; Stipp, Michael; Niemeijer, André R.; Spiers, Christopher J.; Behrmann, Jan H.

    2016-09-01

    Ocean-floor carbonate- and clay-rich sediments form major inputs to subduction zones, especially at low-latitude convergent plate margins. Therefore, knowledge of their frictional behaviour is fundamental for understanding plate-boundary earthquakes. Here we report results of mechanical tests performed on simulated fault gouges prepared from ocean-floor carbonates and clays, cored during IODP drilling offshore Costa Rica. Clay-rich gouges show internal friction coefficients (that is, the slope of linearized shear stress versus normal stress data) of μint = 0.44 - 0.56, irrespective of temperature and pore-fluid pressure (Pf). By contrast, μint for the carbonate gouge strongly depends on temperature and pore-fluid pressure, with μint decreasing dramatically from 0.84 at room temperature and Pf = 20 MPa to 0.27 at T = 140 °C and Pf = 120 MPa. This effect provides a fundamental mechanism of shear localization and earthquake generation in subduction zones, and makes carbonates likely nucleation sites for plate-boundary earthquakes. Our results imply that rupture nucleation is prompted by a combination of temperature-controlled frictional instability and temperature- and pore-pressure-dependent weakening of calcareous fault gouges.

  6. Evaluation of onset of nucleate boiling models

    Energy Technology Data Exchange (ETDEWEB)

    Huang, LiDong [Heat Transfer Research, Inc., College Station, TX (United States)], e-mail: lh@htri.net

    2009-07-01

    This article discusses available models and correlations for predicting the required heat flux or wall superheat for the Onset of Nucleate Boiling (ONB) on plain surfaces. It reviews ONB data in the open literature and discusses the continuing efforts of Heat Transfer Research, Inc. in this area. Our ONB database contains ten individual sources for ten test fluids and a wide range of operating conditions for different geometries, e.g., tube side and shell side flow boiling and falling film evaporation. The article also evaluates literature models and correlations based on the data: no single model in the open literature predicts all data well. The prediction uncertainty is especially higher in vacuum conditions. Surface roughness is another critical criterion in determining which model should be used. However, most models do not directly account for surface roughness, and most investigators do not provide surface roughness information in their published findings. Additional experimental research is needed to improve confidence in predicting the required wall superheats for nucleation boiling for engineering design purposes. (author)

  7. Evaluation of onset of nucleate boiling models

    International Nuclear Information System (INIS)

    Huang, LiDong

    2009-01-01

    This article discusses available models and correlations for predicting the required heat flux or wall superheat for the Onset of Nucleate Boiling (ONB) on plain surfaces. It reviews ONB data in the open literature and discusses the continuing efforts of Heat Transfer Research, Inc. in this area. Our ONB database contains ten individual sources for ten test fluids and a wide range of operating conditions for different geometries, e.g., tube side and shell side flow boiling and falling film evaporation. The article also evaluates literature models and correlations based on the data: no single model in the open literature predicts all data well. The prediction uncertainty is especially higher in vacuum conditions. Surface roughness is another critical criterion in determining which model should be used. However, most models do not directly account for surface roughness, and most investigators do not provide surface roughness information in their published findings. Additional experimental research is needed to improve confidence in predicting the required wall superheats for nucleation boiling for engineering design purposes. (author)

  8. A nucleation theory of cell surface capping

    International Nuclear Information System (INIS)

    Coutsias, E.A.; Wester, M.J.; Perelson, A.S.

    1997-01-01

    We propose a new theory of cell surface capping based on the principles of nucleation. When antibody interacts with cell surface molecules, the molecules initially form small aggregates called patches that later coalesce into a large aggregate called a cap. While a cap can form by patches being pulled together by action of the cell''s cytoskeleton, in the case of some molecules, disruption of the cytoskeleton does not prevent cap formation. Diffusion of large aggregates on a cell surface is slow, and thus we propose that a cap can form solely through the diffusion of small aggregates containing just one or a few cell surface molecules. Here we consider the extreme case in which single molecules are mobile, but aggregates of all larger sizes are immobile. We show that a set of patches in equilibrium with a open-quotes seaclose quotes of free cell surface molecules can undergo a nucleation-type phase transition in which the largest patch will bind free cell surface molecules, deplete the concentration of such molecules in the open-quotes seaclose quotes and thus cause the other patches to shrink in size. We therefore show that a cap can form without patches having to move, collide with each other, and aggregate

  9. Steady-State Gyrokinetics Transport Code (SSGKT), A Scientific Application Partnership with the Framework Application for Core-Edge Transport Simulations, Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Fahey, Mark R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Candy, Jeff [General Atomics, San Diego, CA (United States)

    2013-11-07

    This project initiated the development of TGYRO - a steady-state Gyrokinetic transport code (SSGKT) that integrates micro-scale GYRO turbulence simulations into a framework for practical multi-scale simulation of conventional tokamaks as well as future reactors. Using a lightweight master transport code, multiple independent (each massively parallel) gyrokinetic simulations are coordinated. The capability to evolve profiles using the TGLF model was also added to TGYRO and represents a more typical use-case for TGYRO. The goal of the project was to develop a steady-state Gyrokinetic transport code (SSGKT) that integrates micro-scale gyrokinetic turbulence simulations into a framework for practical multi-scale simulation of a burning plasma core ? the International Thermonuclear Experimental Reactor (ITER) in particular. This multi-scale simulation capability will be used to predict the performance (the fusion energy gain, Q) given the H-mode pedestal temperature and density. At present, projections of this type rely on transport models like GLF23, which are based on rather approximate fits to the results of linear and nonlinear simulations. Our goal is to make these performance projections with precise nonlinear gyrokinetic simulations. The method of approach is to use a lightweight master transport code to coordinate multiple independent (each massively parallel) gyrokinetic simulations using the GYRO code. This project targets the practical multi-scale simulation of a reactor core plasma in order to predict the core temperature and density profiles given the H-mode pedestal temperature and density. A master transport code will provide feedback to O(16) independent gyrokinetic simulations (each massively parallel). A successful feedback scheme offers a novel approach to predictive modeling of an important national and international problem. Success in this area of fusion simulations will allow US scientists to direct the research path of ITER over the next two

  10. The paleozoic of Amazonas basin south edge: Tapajos river, Para state; O paleozoico da borda sul da bacia do Amazonas: rio Tapajos, estado do Para

    Energy Technology Data Exchange (ETDEWEB)

    Matsuda, Nilo Siguehiko [Petrobras E e P, Rio de Janeiro, RJ (Brazil). Exploracao. Estratigrafia e Sedimentologia Geologia Aplicada a Exploracao], E-mail: nilo@petrobras.com.br; Winter, Wilson Rubem [Petrobras, Campoas dos Goytacases, RJ (Brazil). Exploracao. Sedimentologia e Estratigrafia], E-mail: winter@petrobras.com.br; Wanderley Filho, Joaquim Ribeiro; Cacela, Alessandra Suzely Moda [Petrobras, Manaus, AM (Brazil). Exploracao. Unidade de Operacoes de Exploracao e Producao da Amazonia], Emails: jwand@petrobras.com.br, alessandra.suzely@petrobras.com.br

    2009-11-15

    The intracratonic Amazonas Basin covers an area close to 500.000km{sup 2} shared between the Amazonas and Para states. The phanerozoic stratigraphic framework is up to 6.000m thick and may be subdivided into two, first order depositional sequences: the Paleozoic sequence, intruded by diabase dikes and sills and the Mesozoic-Cenozoic sequence. Analyzing the stratigraphic framework, the great tectonic influence on the basin development can be appreciated. The mainly NW-SE structural directions of the basement, which mark the boundaries of the geochronological provinces of the Amazonas, are clearly identified along the Tapajos River. The Paleozoic sequence outcrops on the southern border of the Amazonas Basin embraces potential source rocks, reservoirs and seal rocks. They can be subdivided in three, second order sequences, limited by regional unconformities, as: the Ordovician/Devonian, which corresponds to the Pitinga lithostratigraphic formation; the Devonian-Tournaisian, which corresponds to the Maecuru, Erere, Barreirinha and Curiri formations and, the Pensylvanian-Permian that are represented by the Monte Alegre and Itaituba formations. This field trip guide presents these classic lithostratigraphic outcrop units, together with a brief sedimentological description and an analysis of their positioning related to sequence stratigraphical concepts. (author)

  11. Nucleation phenomena in protein folding: the modulating role of protein sequence

    International Nuclear Information System (INIS)

    Travasso, Rui D M; FaIsca, Patricia F N; Gama, Margarida M Telo da

    2007-01-01

    For the vast majority of naturally occurring, small, single-domain proteins, folding is often described as a two-state process that lacks detectable intermediates. This observation has often been rationalized on the basis of a nucleation mechanism for protein folding whose basic premise is the idea that, after completion of a specific set of contacts forming the so-called folding nucleus, the native state is achieved promptly. Here we propose a methodology to identify folding nuclei in small lattice polymers and apply it to the study of protein molecules with a chain length of N = 48. To investigate the extent to which protein topology is a robust determinant of the nucleation mechanism, we compare the nucleation scenario of a native-centric model with that of a sequence-specific model sharing the same native fold. To evaluate the impact of the sequence's finer details in the nucleation mechanism, we consider the folding of two non-homologous sequences. We conclude that, in a sequence-specific model, the folding nucleus is, to some extent, formed by the most stable contacts in the protein and that the less stable linkages in the folding nucleus are solely determined by the fold's topology. We have also found that, independently of the protein sequence, the folding nucleus performs the same 'topological' function. This unifying feature of the nucleation mechanism results from the residues forming the folding nucleus being distributed along the protein chain in a similar and well-defined manner that is determined by the fold's topological features

  12. Competing edge networks

    Science.gov (United States)

    Parsons, Mark; Grindrod, Peter

    2012-06-01

    We introduce a model for a pair of nonlinear evolving networks, defined over a common set of vertices, subject to edgewise competition. Each network may grow new edges spontaneously or through triad closure. Both networks inhibit the other's growth and encourage the other's demise. These nonlinear stochastic competition equations yield to a mean field analysis resulting in a nonlinear deterministic system. There may be multiple equilibria; and bifurcations of different types are shown to occur within a reduced parameter space. This situation models competitive communication networks such as BlackBerry Messenger displacing SMS; or instant messaging displacing emails.

  13. Nucleation and growth of C60 overlayers on the Ag/Pt(111) dislocation network surface

    International Nuclear Information System (INIS)

    Ait-Mansour, K; Ruffieux, P; Xiao, W; Fasel, R; Groening, P; Groening, O

    2007-01-01

    We have investigated the room temperature growth of C 60 overlayers on the strainrelief dislocation network formed by two monolayers of Ag on Pt(111) by means of scanning tunneling microscopy. Extended domains of highly ordered dislocation networks with a typical superlattice parameter of 6.8 nm have been prepared, serving as templates for subsequent C 60 depositions. For low C 60 coverages, the molecules decorate the step-edges, where also the first islands nucleate. This indicates that at room temperature the C 60 molecules are sufficiently mobile to cross the dislocation lines and to diffuse to the step-edges. For C 60 coverages of 0.4 monolayer, besides the islands nucleated at the step-edges, C 60 islands also grow in the middle of terraces. The C 60 islands typically extend over several unit cells of the dislocation network and show an unusual orientation of the hexagonally close-packed C 60 lattice as compared to that found on the bare Ag(111) surface. Whereas C 60 grows preferentially in a (2 √3 x 2 √3) R30 0 structure on Ag(111), on the Ag/Pt(111) dislocation network the C 60 lattice adopts an orientation rotated by 30 0 , with the close-packed C 60 rows aligned along the dislocations which themselves are aligned along the Ag(1-10) directions. For higher coverages in the range of 1-2 monolayers, the growth of C 60 continues in a layer-by-layer fashion

  14. Topological edge modes in multilayer graphene systems

    KAUST Repository

    Ge, Lixin

    2015-08-10

    Plasmons can be supported on graphene sheets as the Dirac electrons oscillate collectively. A tight-binding model for graphene plasmons is a good description as the field confinement in the normal direction is strong. With this model, the topological properties of plasmonic bands in multilayer graphene systems are investigated. The Zak phases of periodic graphene sheet arrays are obtained for different configurations. Analogous to Su-Schrieffer-Heeger (SSH) model in electronic systems, topological edge plasmon modes emerge when two periodic graphene sheet arrays with different Zak phases are connected. Interestingly, the dispersion of these topological edge modes is the same as that in the monolayer graphene and is invariant as the geometric parameters of the structure such as the separation and period change. These plasmonic edge states in multilayer graphene systems can be further tuned by electrical gating or chemical doping. © 2015 Optical Society of America.

  15. Long coherence times for edge spins

    Science.gov (United States)

    Kemp, Jack; Yao, Norman Y.; Laumann, Christopher R.; Fendley, Paul

    2017-06-01

    We show that in certain one-dimensional spin chains with open boundary conditions, the edge spins retain memory of their initial state for very long times, even at infinite temperature. The long coherence times do not require disorder, only an ordered phase. In the integrable Ising and XYZ chains, the presence of a strong zero mode means the coherence time is infinite. When Ising is perturbed by interactions breaking the integrability, the coherence time remains exponentially long in the perturbing couplings. We show that this is a consequence of an edge ‘almost’ strong zero mode that almost commutes with the Hamiltonian. We compute this operator explicitly, allowing us to estimate accurately the plateau value of edge spin autocorrelator.

  16. Direct calculation of ice homogeneous nucleation rate for a molecular model of water

    Science.gov (United States)

    Haji-Akbari, Amir; Debenedetti, Pablo G.

    2015-01-01

    Ice formation is ubiquitous in nature, with important consequences in a variety of environments, including biological cells, soil, aircraft, transportation infrastructure, and atmospheric clouds. However, its intrinsic kinetics and microscopic mechanism are difficult to discern with current experiments. Molecular simulations of ice nucleation are also challenging, and direct rate calculations have only been performed for coarse-grained models of water. For molecular models, only indirect estimates have been obtained, e.g., by assuming the validity of classical nucleation theory. We use a path sampling approach to perform, to our knowledge, the first direct rate calculation of homogeneous nucleation of ice in a molecular model of water. We use TIP4P/Ice, the most accurate among existing molecular models for studying ice polymorphs. By using a novel topological approach to distinguish different polymorphs, we are able to identify a freezing mechanism that involves a competition between cubic and hexagonal ice in the early stages of nucleation. In this competition, the cubic polymorph takes over because the addition of new topological structural motifs consistent with cubic ice leads to the formation of more compact crystallites. This is not true for topological hexagonal motifs, which give rise to elongated crystallites that are not able to grow. This leads to transition states that are rich in cubic ice, and not the thermodynamically stable hexagonal polymorph. This mechanism provides a molecular explanation for the earlier experimental and computational observations of the preference for cubic ice in the literature. PMID:26240318

  17. Snow-borne nanosized particles: Abundance, distribution, composition, and significance in ice nucleation processes

    Science.gov (United States)

    Rangel-Alvarado, Rodrigo Benjamin; Nazarenko, Yevgen; Ariya, Parisa A.

    2015-11-01

    Physicochemical processes of nucleation constitute a major uncertainty in understanding aerosol-cloud interactions. To improve the knowledge of the ice nucleation process, we characterized physical, chemical, and biological properties of fresh snow using a suite of state-of-the-art techniques based on mass spectrometry, electron microscopy, chromatography, and optical particle sizing. Samples were collected at two North American Arctic sites, as part of international campaigns (2006 and 2009), and in the city of Montreal, Canada, over the last decade. Particle size distribution analyses, in the range of 3 nm to 10 µm, showed that nanosized particles are the most numerous (38-71%) in fresh snow, with a significant portion (11 to 19%) less than 100 nm in size. Particles with diameters less than 200 nm consistently exhibited relatively high ice-nucleating properties (on average ranged from -19.6 ± 2.4 to -8.1 ± 2.6°C). Chemical analysis of the nanosized fraction suggests that they contain bioorganic materials, such as amino acids, as well as inorganic compounds with similar characteristics to mineral dust. The implication of nanoparticle ubiquity and abundance in diverse snow ecosystems are discussed in the context of their importance in understanding atmospheric nucleation processes.

  18. Edge detection in digital images using Ant Colony Optimization

    Directory of Open Access Journals (Sweden)

    Marjan Kuchaki Rafsanjani

    2015-11-01

    Full Text Available Ant Colony Optimization (ACO is an optimization algorithm inspired by the behavior of real ant colonies to approximate the solutions of difficult optimization problems. In this paper, ACO is introduced to tackle the image edge detection problem. The proposed approach is based on the distribution of ants on an image; ants try to find possible edges by using a state transition function. Experimental results show that the proposed method compared to standard edge detectors is less sensitive to Gaussian noise and gives finer details and thinner edges when compared to earlier ant-based approaches.

  19. Testing the Topological Nature of the Fractional Quantum Hall Edge

    International Nuclear Information System (INIS)

    Jolad, Shivakumar; Jain, Jainendra K.

    2009-01-01

    We carry out numerical diagonalization for much larger systems than before by restricting the fractional quantum Hall (FQH) edge excitations to a basis that is exact for a short-range interaction and very accurate for the Coulomb interaction. This enables us to perform substantial tests of the predicted universality of the edge physics. Our results suggest the possibility that the behavior of the FQH edge is intrinsically nonuniversal, even in the absence of edge reconstruction, and therefore may not bear a sharp and unique relation to the nature of the bulk FQH state

  20. Heterogeneous ice nucleation and phase transition of viscous α-pinene secondary organic aerosol

    Science.gov (United States)

    Ignatius, Karoliina; Kristensen, Thomas B.; Järvinen, Emma; Nichman, Leonid; Fuchs, Claudia; Gordon, Hamish; Herenz, Paul; Hoyle, Christopher R.; Duplissy, Jonathan; Baltensperger, Urs; Curtius, Joachim; Donahue, Neil M.; Gallagher, Martin W.; Kirkby, Jasper; Kulmala, Markku; Möhler, Ottmar; Saathoff, Harald; Schnaiter, Martin; Virtanen, Annele; Stratmann, Frank

    2016-04-01

    There are strong indications that particles containing secondary organic aerosol (SOA) exhibit amorphous solid or semi-solid phase states in the atmosphere. This may facilitate deposition ice nucleation and thus influence cirrus cloud properties. Global model simulations of monoterpene SOA particles suggest that viscous biogenic SOA are indeed present in regions where cirrus cloud formation takes place. Hence, they could make up an important contribution to the global ice nucleating particle (INP) budget. However, experimental ice nucleation studies of biogenic SOA are scarce. Here, we investigated the ice nucleation ability of viscous SOA particles at the CLOUD (Cosmics Leaving OUtdoor Droplets) experiment at CERN (Ignatius et al., 2015, Järvinen et al., 2015). In the CLOUD chamber, the SOA particles were produced from the ozone initiated oxidation of α-pinene at temperatures in the range from -38 to -10° C at 5-15 % relative humidity with respect to water (RHw) to ensure their formation in a highly viscous phase state, i.e. semi-solid or glassy. We found that particles formed and grown in the chamber developed an asymmetric shape through coagulation. As the RHw was increased to between 35 % at -10° C and 80 % at -38° C, a transition to spherical shape was observed with a new in-situ optical method. This transition confirms previous modelling of the viscosity transition conditions. The ice nucleation ability of SOA particles was investigated with a new continuous flow diffusion chamber SPIN (Spectrometer for Ice Nuclei) for different SOA particle sizes. For the first time, we observed heterogeneous ice nucleation of viscous α-pinene SOA in the deposition mode for ice saturation ratios between 1.3 and 1.4, significantly below the homogeneous freezing limit. The maximum frozen fractions found at temperatures between -36.5 and -38.3° C ranged from 6 to 20 % and did not depend on the particle surface area. References Ignatius, K. et al., Heterogeneous ice

  1. Dynamics of the edge excitations in the FQH effects

    International Nuclear Information System (INIS)

    Wen, X.G.

    1994-01-01

    Fractional quantum Hall effects (FQHE) discovered by Tsui, Stormer and Gossard open a new era in theory of strongly correlated system. In the first time the authors have to completely abandon the theories based on the single-body picture and use an intrinsic many-body theory proposed by Laughlin and others to describe the FQHE. Due to the repulsive interaction, the strongly correlated FQH liquid is an incompressible state despite the first Landau level is only partially filled. All the bulk excitations in the FQH states have finite energy gaps. The FQH states and insulators are similar in the sense that both states have finite energy gap and short ranged electron propagators. Because of this similarity, it is puzzling that the FQH systems apparently have very different transport properties than ordinary insulators. Halperin first point out that the integral quantum Hall (IQH) states contain gapless edge excitations. Although the electronic states in the bulk are localized, the electronic states at the edge of the sample are extended. Therefore the nontrivial transport properties of the IQH states come from the gapless edge excitations. Such an edge transport picture has been supported by many experiments. One also found that the edge excitations in the IQH states are described by a chiral 1D Fermi liquid theory. Here, the authors review the dynamical theory of the edge excitations in the FQH effects

  2. Degenerate band edge laser

    Science.gov (United States)

    Veysi, Mehdi; Othman, Mohamed A. K.; Figotin, Alexander; Capolino, Filippo

    2018-05-01

    We propose a class of lasers based on a fourth-order exceptional point of degeneracy (EPD) referred to as the degenerate band edge (DBE). EPDs have been found in parity-time-symmetric photonic structures that require loss and/or gain; here we show that the DBE is a different kind of EPD since it occurs in periodic structures that are lossless and gainless. Because of this property, a small level of gain is sufficient to induce single-frequency lasing based on a synchronous operation of four degenerate Floquet-Bloch eigenwaves. This lasing scheme constitutes a light-matter interaction mechanism that leads also to a unique scaling law of the laser threshold with the inverse of the fifth power of the laser-cavity length. The DBE laser has the lowest lasing threshold in comparison to a regular band edge laser and to a conventional laser in cavities with the same loaded quality (Q ) factor and length. In particular, even without mirror reflectors the DBE laser exhibits a lasing threshold which is an order of magnitude lower than that of a uniform cavity laser of the same length and with very high mirror reflectivity. Importantly, this novel DBE lasing regime enforces mode selectivity and coherent single-frequency operation even for pumping rates well beyond the lasing threshold, in contrast to the multifrequency nature of conventional uniform cavity lasers.

  3. Nucleation of domains under the influence of temperature in ...

    Indian Academy of Sciences (India)

    Abstract. It is found that the nucleation of domains can take place in Ba5Ti2O7Cl4 under the influence of temperature unlike in many other ferroelectrics. The nucleated domain can also be removed from the structure under the randomizing effect of tem- perature. These observations have been explained on the basis of a ...

  4. Dynamics of ice nucleation on water repellent surfaces.

    Science.gov (United States)

    Alizadeh, Azar; Yamada, Masako; Li, Ri; Shang, Wen; Otta, Shourya; Zhong, Sheng; Ge, Liehui; Dhinojwala, Ali; Conway, Ken R; Bahadur, Vaibhav; Vinciquerra, A Joseph; Stephens, Brian; Blohm, Margaret L

    2012-02-14

    Prevention of ice accretion and adhesion on surfaces is relevant to many applications, leading to improved operation safety, increased energy efficiency, and cost reduction. Development of passive nonicing coatings is highly desirable, since current antiicing strategies are energy and cost intensive. Superhydrophobicity has been proposed as a lead passive nonicing strategy, yet the exact mechanism of delayed icing on these surfaces is not clearly understood. In this work, we present an in-depth analysis of ice formation dynamics upon water droplet impact on surfaces with different wettabilities. We experimentally demonstrate that ice nucleation under low-humidity conditions can be delayed through control of surface chemistry and texture. Combining infrared (IR) thermometry and high-speed photography, we observe that the reduction of water-surface contact area on superhydrophobic surfaces plays a dual role in delaying nucleation: first by reducing heat transfer and second by reducing the probability of heterogeneous nucleation at the water-substrate interface. This work also includes an analysis (based on classical nucleation theory) to estimate various homogeneous and heterogeneous nucleation rates in icing situations. The key finding is that ice nucleation delay on superhydrophobic surfaces is more prominent at moderate degrees of supercooling, while closer to the homogeneous nucleation temperature, bulk and air-water interface nucleation effects become equally important. The study presented here offers a comprehensive perspective on the efficacy of textured surfaces for nonicing applications.

  5. Classical nucleation theory in the phase-field crystal model.

    Science.gov (United States)

    Jreidini, Paul; Kocher, Gabriel; Provatas, Nikolas

    2018-04-01

    A full understanding of polycrystalline materials requires studying the process of nucleation, a thermally activated phase transition that typically occurs at atomistic scales. The numerical modeling of this process is problematic for traditional numerical techniques: commonly used phase-field methods' resolution does not extend to the atomic scales at which nucleation takes places, while atomistic methods such as molecular dynamics are incapable of scaling to the mesoscale regime where late-stage growth and structure formation takes place following earlier nucleation. Consequently, it is of interest to examine nucleation in the more recently proposed phase-field crystal (PFC) model, which attempts to bridge the atomic and mesoscale regimes in microstructure simulations. In this work, we numerically calculate homogeneous liquid-to-solid nucleation rates and incubation times in the simplest version of the PFC model, for various parameter choices. We show that the model naturally exhibits qualitative agreement with the predictions of classical nucleation theory (CNT) despite a lack of some explicit atomistic features presumed in CNT. We also examine the early appearance of lattice structure in nucleating grains, finding disagreement with some basic assumptions of CNT. We then argue that a quantitatively correct nucleation theory for the PFC model would require extending CNT to a multivariable theory.

  6. Modelling the role of compositional fluctuations in nucleation kinetics

    International Nuclear Information System (INIS)

    Ženíšek, J.; Kozeschnik, E.; Svoboda, J.; Fischer, F.D.

    2015-01-01

    The classical nucleation theory of precipitate nucleation in interstitial/substitutional alloys is applied to account for the influence of spatial A–B composition fluctuations in an A–B–C matrix on the kinetics of nucleation of (A,B) 3 C precipitates. A and B are substitutional elements in the matrix and C is an interstitial component, assumed to preferentially bind to B atoms. All lattice sites are considered as potential nucleation sites. The fluctuations of chemical composition result in a local variation of the nucleation probability. The nucleation sites are eliminated from the system if they are located in a C-depleted diffusion zone belonging to an already nucleated and growing precipitate. The chemistry is that of an Fe–Cr–C system, and the specific interface energy is treated as a free parameter. Random, regular and homogeneous A–B distributions in the matrix are simulated and compared for various values of the interface energy. An increasing enhancement of the role of compositional fluctuations on nucleation kinetics with increasing interface energy and decreasing chemical driving force is observed

  7. Thermokinetics of heterogeneous droplet nucleation on conically textured substrates.

    Science.gov (United States)

    Singha, Sanat K; Das, Prasanta K; Maiti, Biswajit

    2015-11-28

    Within the framework of the classical theory of heterogeneous nucleation, a thermokinetic model is developed for line-tension-associated droplet nucleation on conical textures considering growth or shrinkage of the formed cluster due to both interfacial and peripheral monomer exchange and by considering different geometric configurations. Along with the principle of free energy extremization, Katz kinetic approach has been employed to study the effect of substrate conicity and wettability on the thermokinetics of heterogeneous water droplet nucleation. Not only the peripheral tension is found to have a considerable effect on the free energy barrier but also the substrate hydrophobicity and hydrophilicity are observed to switch over their roles between conical crest and trough for different growth rates of the droplet. Besides, the rate of nucleation increases and further promotes nucleation for negative peripheral tension as it diminishes the free energy barrier appreciably. Moreover, nucleation inhibition can be achievable for positive peripheral tension due to the enhancement of the free energy barrier. Analyzing all possible geometric configurations, the hydrophilic narrower conical cavity is found to be the most preferred nucleation site. These findings suggest a physical insight into the context of surface engineering for the promotion or the suppression of nucleation on real or engineered substrates.

  8. Nucleation path of helium bubbles in metals during irradiation

    International Nuclear Information System (INIS)

    Morishita, Kazunori

    2008-01-01

    Thermodynamical formalization is made for description of the nucleation and growth of helium bubbles in metals during irradiation. The proposed formalization is available or evaluating both microstructural changes in fusion first wall materials where helium is produced by (n, α) nuclear transmutation reactions, and those in fusion divertor materials where helium particles with low energy are directly implanted. Calculated nucleation barrier is significantly reduced by the presence of helium, showing that a helium bubble with an appropriate number of helium atoms depending on bubble size can nucleate without any large nucleation barriers, even at a condition where an empty void has very large nucleation barrier without helium. With the proposed thermodynamical formalization, the nucleation and growth process of helium bubbles in iron during irradiation is simulated by the kinetic Monte-Carlo (KMC) technique. It shows the nucleation path of a helium bubble on the (N He , N V ) space as functions of temperatures and the concentration of helium in the matrix, where N He and N V are the number of helium atoms and vacancies in the helium bubble, respectively. Bubble growth rates depend on the nucleation path and suggest that two different mechanisms operate for bubble growth: one is controlled by vacancy diffusion and the other is controlled by interstitial helium diffusion. (author)

  9. Protein Polymerization into Fibrils from the Viewpoint of Nucleation Theory.

    Science.gov (United States)

    Kashchiev, Dimo

    2015-11-17

    The assembly of various proteins into fibrillar aggregates is an important phenomenon with wide implications ranging from human disease to nanoscience. Using general kinetic results of nucleation theory, we analyze the polymerization of protein into linear or helical fibrils in the framework of the Oosawa-Kasai (OK) model. We show that while within the original OK model of linear polymerization the process does not involve nucleation, within a modified OK model it is nucleation-mediated. Expressions are derived for the size of the fibril nucleus, the work for fibril formation, the nucleation barrier, the equilibrium and stationary fibril size distributions, and the stationary fibril nucleation rate. Under otherwise equal conditions, this rate decreases considerably when the short (subnucleus) fibrils lose monomers much more frequently than the long (supernucleus) fibrils, a feature that should be born in mind when designing a strategy for stymying or stimulating fibril nucleation. The obtained dependence of the nucleation rate on the concentration of monomeric protein is convenient for experimental verification and for use in rate equations accounting for nucleation-mediated fibril formation. The analysis and the results obtained for linear fibrils are fully applicable to helical fibrils whose formation is describable by a simplified OK model. Copyright © 2015 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  10. Bubble nucleation in an explosive micro-bubble actuator

    NARCIS (Netherlands)

    van den Broek, D.M.; Elwenspoek, Michael Curt

    2008-01-01

    Explosive evaporation occurs when a thin layer of liquid reaches a temperature close to the critical temperature in a very short time. At these temperatures spontaneous nucleation takes place. The nucleated bubbles instantly coalesce forming a vapour film followed by rapid growth due to the pressure

  11. Focus: Nucleation kinetics of shear bands in metallic glass.

    Science.gov (United States)

    Wang, J Q; Perepezko, J H

    2016-12-07

    The development of shear bands is recognized as the primary mechanism in controlling the plastic deformability of metallic glasses. However, the kinetics of the nucleation of shear bands has received limited attention. The nucleation of shear bands in metallic glasses (MG) can be investigated using a nanoindentation method to monitor the development of the first pop-in event that is a signature of shear band nucleation. The analysis of a statistically significant number of first pop-in events demonstrates the stochastic behavior that is characteristic of nucleation and reveals a multimodal behavior associated with local spatial heterogeneities. The shear band nucleation rate of the two nucleation modes and the associated activation energy, activation volume, and site density were determined by loading rate experiments. The nucleation activation energy is very close to the value that is characteristic of the β relaxation in metallic glass. The identification of the rate controlling kinetics for shear band nucleation offers guidance for promoting plastic flow in metallic glass.

  12. Water nucleation : wave tube experiments and theoretical considerations

    NARCIS (Netherlands)

    Holten, V.

    2009-01-01

    This work is an experimental and theoretical study of the condensation of water. Condensation consists of nucleation – the formation of droplets – and the subsequent growth of those droplets. In our expansion tube setup, these processes are separated in time with the nucleation pulse principle, in

  13. Heterogeneous primary nucleation of ice in water and aqueous solutions

    NARCIS (Netherlands)

    Thijssen, H.A.C.; Vorstman, M.A.G.; Roels, J.A.

    1968-01-01

    The effect of the volume of the liquid sample, the degree of turbulence in the liquid, and the rate of cooling upon the probability of nucleation has been studied for water and aqueous solutions. Nucleation rates were measured for droplets nearly instantaneously cooled to a predetermined

  14. Determining the nucleation rate from the dimer growth probability

    NARCIS (Netherlands)

    Ter Horst, J.H.; Kashchiev, D.

    2005-01-01

    A new method is proposed for the determination of the stationary one-component nucleation rate J with the help of data for the growth probability P2 of a dimer which is the smallest cluster of the nucleating phase. The method is based on an exact formula relating J and P2, and is readily applicable

  15. Classical nucleation theory in the phase-field crystal model

    Science.gov (United States)

    Jreidini, Paul; Kocher, Gabriel; Provatas, Nikolas

    2018-04-01

    A full understanding of polycrystalline materials requires studying the process of nucleation, a thermally activated phase transition that typically occurs at atomistic scales. The numerical modeling of this process is problematic for traditional numerical techniques: commonly used phase-field methods' resolution does not extend to the atomic scales at which nucleation takes places, while atomistic methods such as molecular dynamics are incapable of scaling to the mesoscale regime where late-stage growth and structure formation takes place following earlier nucleation. Consequently, it is of interest to examine nucleation in the more recently proposed phase-field crystal (PFC) model, which attempts to bridge the atomic and mesoscale regimes in microstructure simulations. In this work, we numerically calculate homogeneous liquid-to-solid nucleation rates and incubation times in the simplest version of the PFC model, for various parameter choices. We show that the model naturally exhibits qualitative agreement with the predictions of classical nucleation theory (CNT) despite a lack of some explicit atomistic features presumed in CNT. We also examine the early appearance of lattice structure in nucleating grains, finding disagreement with some basic assumptions of CNT. We then argue that a quantitatively correct nucleation theory for the PFC model would require extending CNT to a multivariable theory.

  16. Preparation and nucleation of spherical metallic droplet

    Directory of Open Access Journals (Sweden)

    Bing-ge Zhao

    2015-03-01

    Full Text Available The preparation and solidification of metallic droplets attract more and more attention for their significance in both engineering and scientific fields. In this paper, the preparation and characterization of Sn-based alloy droplets using different methods such as atomization and consumable electrode direct current arc (CDCA technique are reviewed. The morphology and structure of these droplets were determined by optical microscopy, X-ray diffraction (XRD and scanning electron microscopy (SEM. The solidification behavior of single droplet was systematically studied by means of scanning calorimetry (DSC, and the nucleation kinetics was also calculated. In particular, the development of fast scanning calorimetry (FSC made it possible to investigate the evolution of undercooling under ultrafast but controllable heating and cooling conditions. The combination of CDCA technique and FSC measurements opens up a new door for quantitative studies on droplet solidification, which is accessible to demonstrate some theories by experiments.

  17. Magnetic droplet soliton nucleation in oblique fields

    Science.gov (United States)

    Mohseni, Morteza; Hamdi, M.; Yazdi, H. F.; Banuazizi, S. A. H.; Chung, S.; Sani, S. R.; Åkerman, Johan; Mohseni, Majid

    2018-05-01

    We study the auto-oscillating magnetodynamics in orthogonal spin-torque nano-oscillators (STNOs) as a function of the out-of-plane (OOP) magnetic-field angle. In perpendicular fields and at OOP field angles down to approximately 50°, we observe the nucleation of a droplet. However, for field angles below 50°, experiments indicate that the droplet gives way to propagating spin waves, in agreement with our micromagnetic simulations. Theoretical calculations show that the physical mechanism behind these observations is the sign changing of spin-wave nonlinearity (SWN) by angle. In addition, we show that the presence of a strong perpendicular magnetic anisotropy free layer in the system reverses the angular dependence of the SWN and dynamics in STNOs with respect to the known behavior determined for the in-plane magnetic anisotropy free layer. Our results are of fundamental interest in understanding the rich dynamics of nanoscale solitons and spin-wave dynamics in STNOs.

  18. An improved nucleate boiling design equation

    International Nuclear Information System (INIS)

    Basu, D.K.; Pinder, K.L.

    1976-01-01

    The effect of varying ΔT, the primary variable, on the value of heat transfer coefficient (h) in nucleate boiling is discussed. The three-parameter quadratic equation, h=P 1 + P 2 (ΔT) + P 3 (ΔT) 2 (where the constants, P 1 ,P 2 ,P 3 are functions of pressure, liquid properties and surface properties of the heater) is suggested. Ten sets of data at atmospheric pressure from six different workers and two more sets for pressure variation have been tested. The above quadratic equation fits the experimental data better than the existing two-parameter power relation, h=C(ΔT)sup(n) (where C is constant). The values of the three coeffcients in the quadratic equations are dependent on pressure, liquid properties and surface properties. A generalized empirical equation has been derived, which fits the selected pressure data well. (author)

  19. Molecular dynamics simulation of bubble nucleation in explosive boiling

    International Nuclear Information System (INIS)

    Zou Yu; Chinese Academy of Sciences, Beijing; Huai Xiulan; Liang Shiqiang

    2009-01-01

    Molecular dynamics (MD) simulation is carried out for the bubble nucleation of liquid nitrogen in explosive boiling. The heat is transferred into the simulation system by rescaling the velocity of the molecules. The results indicate that the initial equilibrium temperature of liquid and molecular cluster size affect the energy conversion in the process of bubble nucleation. The potential energy of the system violently varies at the beginning of the bubble nucleation, and then varies around a fixed value. At the end of bubble nucleation, the potential energy of the system slowly increases. In the bubble nucleation of explosive boiling, the lower the initial equilibrium temperature, the larger the size of the molecular cluster, and the more the heat transferred into the system of the simulation cell, causing the increase potential energy in a larger range. (authors)

  20. Aerosol nucleation induced by a high energy particle beam

    DEFF Research Database (Denmark)

    Enghoff, Martin Andreas Bødker; Pedersen, Jens Olaf Pepke; Uggerhøj, Ulrik I.

    2011-01-01

    We have studied sulfuric acid aerosol nucleation in an atmospheric pressure reaction chamber using a 580 MeV electron beam to ionize the volume of the reaction chamber. We find a clear contribution from ion-induced nucleation and consider this to be the first unambiguous observation of the ion......-effect on aerosol nucleation using a particle beam under conditions that resemble the Earth's atmosphere. By comparison with ionization using a gamma source we further show that the nature of the ionizing particles is not important for the ion-induced component of the nucleation. This implies that inexpensive...... ionization sources - as opposed to expensive accelerator beams - can be used for investigations of ion-induced nucleation....