WorldWideScience

Sample records for two-dimensional reactive transport

  1. Groundwater chemistry of the Okélobondo uraninite deposit area (Oklo, Gabon): two-dimensional reactive transport modelling.

    Science.gov (United States)

    Salas, J; Ayora, C

    2004-03-01

    The stability of uranium-bearing minerals in natural environments is of interest to evaluate the feasibility of radioactive waste repositories. The uraninite bodies, UO2(s), in the Oklo district (Gabon) are the result of a natural fission process, which took place 1970 Ma ago. These deposits can be regarded as natural analogues for spent fuel. One of the uraninite bodies, the Okélobondo deposit, is located at a depth of 300 m. Groundwater samples from boreholes located at shallow depths (100-200 m) show neutral to basic pH, anoxic conditions (Eh = 0.10 to -0.05 V) and are saturated with respect to uraninite. In contrast, deeper samples collected in the vicinity of the ore body are oxidising (Eh = 0.32-0.47 V), slightly basic (pH = 7.0-8.5) and undersaturated with respect to uraninite. These oxidising conditions at depth, if present under repository conditions, may affect the stability of uranium oxide. In order to improve our understanding of the observed site geochemistry, the available information on the lithology and groundwater flow was integrated in a reactive transport model. The chemical composition and the pH-Eh values of the water sampled above and in the western side of the Okélobondo deposit can be explained by the interaction of meteoric recharge with pelites, dolomites and sandstones. The dissolution of Fe(II)-silicates and the oxidation of the Fe(II)-aqueous species maintained the pH-Eh distribution along the Fe(2+)-Fe(OH)3(am) equilibrium, with the result that uraninite does not dissolve. This may explain the lower uranium content in the water samples from pelites and dolomites above the Okélobondo deposit. The high Mn/Fe ratio and the high pH-Eh values of the water sampled at depth, close to the Okélobondo deposit, suggest a control by the Mn(2+)-MnOOH(s) equilibrium. This control is attributed to the dissolution of a large rhodochrosite, MnCO3(s), and manganite, MnOOH(s) deposit in the recharge area on the eastern side.

  2. Groundwater chemistry of the Okélobondo uraninite deposit area (Oklo, Gabon): two-dimensional reactive transport modelling

    Science.gov (United States)

    Salas, J.; Ayora, C.

    2004-03-01

    The stability of uranium-bearing minerals in natural environments is of interest to evaluate the feasibility of radioactive waste repositories. The uraninite bodies, UO 2(s), in the Oklo district (Gabon) are the result of a natural fission process, which took place 1970 Ma ago. These deposits can be regarded as natural analogues for spent fuel. One of the uraninite bodies, the Okélobondo deposit, is located at a depth of 300 m. Groundwater samples from boreholes located at shallow depths (100-200 m) show neutral to basic pH, anoxic conditions (Eh=0.10 to -0.05 V) and are saturated with respect to uraninite. In contrast, deeper samples collected in the vicinity of the ore body are oxidising (Eh=0.32-0.47 V), slightly basic (pH=7.0-8.5) and undersaturated with respect to uraninite. These oxidising conditions at depth, if present under repository conditions, may affect the stability of uranium oxide. In order to improve our understanding of the observed site geochemistry, the available information on the lithology and groundwater flow was integrated in a reactive transport model. The chemical composition and the pH-Eh values of the water sampled above and in the western side of the Okélobondo deposit can be explained by the interaction of meteoric recharge with pelites, dolomites and sandstones. The dissolution of Fe(II)-silicates and the oxidation of the Fe(II)-aqueous species maintained the pH-Eh distribution along the Fe 2+-Fe(OH) 3(am) equilibrium, with the result that uraninite does not dissolve. This may explain the lower uranium content in the water samples from pelites and dolomites above the Okélobondo deposit. The high Mn/Fe ratio and the high pH-Eh values of the water sampled at depth, close to the Okélobondo deposit, suggest a control by the Mn 2+-MnOOH(s) equilibrium. This control is attributed to the dissolution of a large rhodochrosite, MnCO 3(s), and manganite, MnOOH(s) deposit in the recharge area on the eastern side.

  3. UPWIND DISCONTINUOUS GALERKIN METHODS FOR TWO DIMENSIONAL NEUTRON TRANSPORT EQUATIONS

    Institute of Scientific and Technical Information of China (English)

    袁光伟; 沈智军; 闫伟

    2003-01-01

    In this paper the upwind discontinuous Galerkin methods with triangle meshes for two dimensional neutron transport equations will be studied.The stability for both of the semi-discrete and full-discrete method will be proved.

  4. Consistent theory of turbulent transport in two-dimensional magnetohydrodynamics.

    Science.gov (United States)

    Kim, Eun-jin

    2006-03-03

    A theory of turbulent transport is presented in two-dimensional magnetohydrodynamics with background shear and magnetic fields. We provide theoretical predictions for the transport of magnetic flux, momentum, and particles and turbulent intensities, which show stronger reduction compared with the hydrodynamic case, with different dependences on shearing rate, magnetic field, and values of viscosity, Ohmic diffusion, and particle diffusivity. In particular, particle transport is more severely suppressed than momentum transport, effectively leading to a more efficient momentum transport. The role of magnetic fields in quenching transport without altering the amplitude of flow velocity and in inhibiting the generation of shear flows is elucidated. Implications of the results are discussed.

  5. Two-dimensional transport study of scrape off layer plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, Nobuyuki [Interdisciplinary Graduate School of Advanced Energy Engineering Sciences, Kyushu University, Fukuoka (Japan); Yagi, Masatoshi; Itoh, Sanae-I. [Kyushu Univ., Fukuoka (Japan). Research Inst. for Applied Mechanics

    1999-09-01

    Two-dimensional transport code is developed to analyzed the heat pulse propagation in the scrape-off layer plasma. The classical and anomalous transport models are considered as a thermal diffusivity perpendicular to the magnetic field. On the other hand, the classical transport model is chosen as a thermal diffusivity parallel to the magnetic field. The heat deposition profiles are evaluated for various kinds of transport models. It is found that the heat pulse which arrives at the divertor plate due to the classical transport is largest compared with other models. The steady state temperate profiles of the electron and ion are also discussed. (author)

  6. Transport behavior of water molecules through two-dimensional nanopores

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Chongqin; Li, Hui; Meng, Sheng, E-mail: smeng@iphy.ac.cn [Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

    2014-11-14

    Water transport through a two-dimensional nanoporous membrane has attracted increasing attention in recent years thanks to great demands in water purification and desalination applications. However, few studies have been reported on the microscopic mechanisms of water transport through structured nanopores, especially at the atomistic scale. Here we investigate the microstructure of water flow through two-dimensional model graphene membrane containing a variety of nanopores of different size by using molecular dynamics simulations. Our results clearly indicate that the continuum flow transits to discrete molecular flow patterns with decreasing pore sizes. While for pores with a diameter ≥15 Å water flux exhibits a linear dependence on the pore area, a nonlinear relationship between water flux and pore area has been identified for smaller pores. We attribute this deviation from linear behavior to the presence of discrete water flow, which is strongly influenced by the water-membrane interaction and hydrogen bonding between water molecules.

  7. Transport behavior of water molecules through two-dimensional nanopores

    Science.gov (United States)

    Zhu, Chongqin; Li, Hui; Meng, Sheng

    2014-11-01

    Water transport through a two-dimensional nanoporous membrane has attracted increasing attention in recent years thanks to great demands in water purification and desalination applications. However, few studies have been reported on the microscopic mechanisms of water transport through structured nanopores, especially at the atomistic scale. Here we investigate the microstructure of water flow through two-dimensional model graphene membrane containing a variety of nanopores of different size by using molecular dynamics simulations. Our results clearly indicate that the continuum flow transits to discrete molecular flow patterns with decreasing pore sizes. While for pores with a diameter ≥15 Å water flux exhibits a linear dependence on the pore area, a nonlinear relationship between water flux and pore area has been identified for smaller pores. We attribute this deviation from linear behavior to the presence of discrete water flow, which is strongly influenced by the water-membrane interaction and hydrogen bonding between water molecules.

  8. Light transport and localization in two-dimensional correlated disorder

    CERN Document Server

    Conley, Gaurasundar M; Pratesi, Filippo; Vynck, Kevin; Wiersma, Diederik S

    2013-01-01

    Structural correlations in disordered media are known to affect significantly the propagation of waves. In this article, we theoretically investigate the transport and localization of light in two-dimensional photonic structures with short-range correlated disorder. The problem is tackled semi-analytically using the Baus-Colot model for the structure factor of correlated media and a modified independent scattering approximation. We find that short-range correlations make it possible to easily tune the transport mean free path by more than a factor of 2 and the related localization length over several orders of magnitude. This trend is confirmed by numerical finite-difference time-domain calculations. This study therefore shows that disorder engineering can offer fine control over light transport and localization in planar geometries, which may open new opportunities in both fundamental and applied photonics research.

  9. Transport of Bose-Einstein condensates through two dimensional cavities

    Energy Technology Data Exchange (ETDEWEB)

    Hartmann, Timo

    2015-06-01

    The recent experimental advances in manipulating ultra-cold atoms make it feasible to study coherent transport of Bose-Einstein condensates (BEC) through various mesoscopic structures. In this work the quasi-stationary propagation of BEC matter waves through two dimensional cavities is investigated using numerical simulations within the mean-field approach of the Gross-Pitaevskii equation. The focus is on the interplay between interference effects and the interaction term in the non-linear wave equation. One sees that the transport properties show a complicated behaviour with multi-stability, hysteresis and dynamical instabilities for non-vanishing interaction. Furthermore, the prominent weak localization effect, which is a robust interference effect emerging after taking a configuration average, is reduced and partially inverted for non-vanishing interaction.

  10. Nonlinear transport in a two dimensional holographic superconductor

    Science.gov (United States)

    Zeng, Hua Bi; Tian, Yu; Fan, Zhe Yong; Chen, Chiang-Mei

    2016-06-01

    The problem of nonlinear transport in a two-dimensional superconductor with an applied oscillating electric field is solved by the holographic method. The complex conductivity can be computed from the dynamics of the current for both the near- and nonequilibrium regimes. The limit of weak electric field corresponds to the near-equilibrium superconducting regime, where the charge response is linear and the conductivity develops a gap determined by the condensate. A larger electric field drives the system into a superconducting nonequilibrium steady state, where the nonlinear conductivity is quadratic with respect to the electric field. Increasing the amplitude of the applied electric field results in a far-from-equilibrium nonsuperconducting steady state with a universal linear conductivity of one. In the lower temperature regime we also find chaotic behavior of the superconducting gap, which results in a nonmonotonic field-dependent nonlinear conductivity.

  11. Nonlinear Transport in a Two Dimensional Holographic Superconductor

    CERN Document Server

    Zeng, Hua Bi; Fan, Zhe Yong; Chen, Chiang-Mei

    2016-01-01

    The problem of nonlinear transport in a two dimensional superconductor with an applied oscillating electric field is solved by the holographic method. The complex conductivity can be computed from the dynamics of the current for both near- and non-equilibrium regimes. The limit of weak electric field corresponds to the near equilibrium superconducting regime, where the charge response is linear and the conductivity develops a gap determined by the condensate. A larger electric field drives the system into a superconducting non-equilibrium steady state, where the nonlinear conductivity is quadratic with respect to the electric field. Keeping increasing the amplitude of applied electric field results in a far-from-equilibrium non-superconducting steady state with a universal linear conductivity of one. In lower temperature regime we also find chaotic behavior of superconducting gap, which results in a non-monotonic field dependent nonlinear conductivity.

  12. Equipartition and transport in two-dimensional electrostatic turbulence

    DEFF Research Database (Denmark)

    Naulin, V.; Nycander, J.; Juul Rasmussen, J.

    1998-01-01

    of the magnetic field. Numerical solutions of the model equations on a bounded domain with sources and sinks show that the flux-driven turbulent fluctuations give rise to up-gradient transport, a “pinch flux,” of heat or particles. The averaged equilibrium density and temperature profiles approach n∼B and T∼B2...

  13. Mechanical transport in two-dimensional networks of fractures

    Energy Technology Data Exchange (ETDEWEB)

    Endo, H.K.

    1984-04-01

    The objectives of this research are to evaluate directional mechanical transport parameters for anisotropic fracture systems, and to determine if fracture systems behave like equivalent porous media. The tracer experiments used to measure directional tortuosity, longitudinal geometric dispersivity, and hydraulic effective porosity are conducted with a uniform flow field and measurements are made from the fluid flowing within a test section where linear length of travel is constant. Since fluid flow and mechanical transport are coupled processes, the directional variations of specific discharge and hydraulic effective porosity are measured in regions with constant hydraulic gradients to evaluate porous medium equivalence for the two processes, respectively. If the fracture region behaves like an equivalent porous medium, the system has the following stable properties: (1) specific discharge is uniform in any direction and can be predicted from a permeability tensor; and (2) hydraulic effective porosity is directionally stable. Fracture systems with two parallel sets of continuous fractures satisfy criterion 1. However, in these systems hydraulic effective porosity is directionally dependent, and thus, criterion 2 is violated. Thus, for some fracture systems, fluid flow can be predicted using porous media assumptions, but it may not be possible to predict transport using porous media assumptions. Two discontinuous fracture systems were studied which satisfied both criteria. Hydraulic effective porosity for both systems has a value between rock effective porosity and total porosity. A length-density analysis (LDS) of Canadian fracture data shows that porous media equivalence for fluid flow and transport is likely when systems have narrow aperture distributions. 54 references, 90 figures, 7 tables.

  14. Evaporative cooling of reactive polar molecules confined in a two-dimensional geometry

    CERN Document Server

    Zhu, Bihui; Rey, Ana M; Holland, Murray J

    2013-01-01

    Recent experimental developments in the loading of ultracold KRb molecules into quasi-two-dimensional traps, combined with the ability to tune the ratio between elastic and loss (inelastic/reactive) collisions through application of an external electric field, are opening the door to achieving efficient evaporative cooling of reactive polar molecules. In this paper, we use Monte Carlo simulations and semianalytic models to study theoretically the experimental parameter regimes in which evaporative cooling is feasible under current trapping conditions. We investigate the effect of the anisotropic character of dipole-dipole collisions and reduced dimensionality on evaporative cooling. We also present an analysis of the experimentally relevant anti-evaporation effects that are induced by chemical reactions that take place when more than one axial vibrational state is populated.

  15. Proton transport in a membrane protein channel: two-dimensional infrared spectrum modeling.

    NARCIS (Netherlands)

    Liang, C.; Knoester, J.; Jansen, T.L.Th.A.

    2012-01-01

    We model the two-dimensional infrared (2DIR) spectrum of a proton channel to investigate its applicability as a spectroscopy tool to study the proton transport process in biological systems. Proton transport processes in proton channels are involved in numerous fundamental biochemical reactions. How

  16. Model for ballistic spin-transport in ferromagnet/two-dimensional electron gas/ferromagnet structures

    NARCIS (Netherlands)

    Schapers, T; Nitta, J; Heersche, HB; Takayanagi, H

    2002-01-01

    The spin dependent conductance of a ferromagnet/two-dimensional electron gas ferromagnet structure is theoretically examined in the ballistic transport regime. It is shown that the spin signal can be improved considerably by making use of the spin filtering effect of a barrier at the ferromagnet two

  17. Spin and charge transport in a gated two dimensional electron gas

    NARCIS (Netherlands)

    Lerescu, Alexandru Ionut

    2007-01-01

    The work presented in this thesis is centered around the idea of how one can inject, transport and detect the electron's spin in a two dimensional electron gas (a semiconductor heterostructure). Metal based spintronic devices have been established to be the easy way to implement spintronic concepts

  18. Spin-polarized transport in a two-dimensional electron gas with interdigital-ferromagnetic contacts

    DEFF Research Database (Denmark)

    Hu, C.-M.; Nitta, Junsaku; Jensen, Ane

    2001-01-01

    Ferromagnetic contacts on a high-mobility, two-dimensional electron gas (2DEG) in a narrow gap semiconductor with strong spin-orbit interaction are used to investigate spin-polarized electron transport. We demonstrate the use of magnetized contacts to preferentially inject and detect specific spin...

  19. Numerical model for two-dimensional hydrodynamics and energy transport. [VECTRA code

    Energy Technology Data Exchange (ETDEWEB)

    Trent, D.S.

    1973-06-01

    The theoretical basis and computational procedure of the VECTRA computer program are presented. VECTRA (Vorticity-Energy Code for TRansport Analysis) is designed for applying numerical simulation to a broad range of intake/discharge flows in conjunction with power plant hydrological evaluation. The code computational procedure is based on finite-difference approximation of the vorticity-stream function partial differential equations which govern steady flow momentum transport of two-dimensional, incompressible, viscous fluids in conjunction with the transport of heat and other constituents.

  20. EMC/FDTD/MD simulation of carrier transport and electrodynamics in two-dimensional electron systems

    OpenAIRE

    Sule, N.; Willis, K. J.; Hagness, S. C.; Knezevic, I.

    2014-01-01

    We present the implementation and application of a multiphysics simulation technique to carrier dynamics under electromagnetic excitation in supported two-dimensional electronic systems. The technique combines ensemble Monte Carlo (EMC) for carrier transport with finite-difference time-domain (FDTD) for electrodynamics and molecular dynamics (MD) for short-range Coulomb interactions among particles. We demonstrate the use of this EMC/FDTD/MD technique by calculating the room-temperature dc an...

  1. Modeling A.C. Electronic Transport through a Two-Dimensional Quantum Point Contact

    Energy Technology Data Exchange (ETDEWEB)

    Aronov, I.E.; Beletskii, N.N.; Berman, G.P.; Campbell, D.K.; Doolen, G.D.; Dudiy, S.V.

    1998-12-07

    We present the results on the a.c. transport of electrons moving through a two-dimensional (2D) semiconductor quantum point contact (QPC). We concentrate our attention on the characteristic properties of the high frequency admittance ({omega}{approximately}0 - 50 GHz), and on the oscillations of the admittance in the vicinity of the separatrix (when a channel opens or closes), in presence of the relaxation effects. The experimental verification of such oscillations in the admittance would be a strong confirmation of the semi-classical approach to the a.c. transport in a QPC, in the separatrix region.

  2. Simulation study of scalings in scrape-off layer plasma by two-dimensional transport code

    Energy Technology Data Exchange (ETDEWEB)

    Itoh, S.-I.; Ueda, Noriaki; Itoh, Kimitaka (National Inst. for Fusion Science, Nagoya (Japan))

    1990-07-01

    Scrape-off Layer (SOL) plasma and divertor plasma in Tokamaks were numerically analyzed using a two-dimensional time-dependent transport code (UEDA code). Plasma transport in the SOL and the divertor region was studied for given particle and heat sources from the main plasma. A scaling study of the density, the temperature and their fall-off lengths was carried out for the JFT-2M Tokamak. The results show the inter-relations between the divertor plasma parameters and core plasma confinement. The operational conditions of the core necessary to guarantee the divertor performance are discussed. (author).

  3. Computer model of two-dimensional solute transport and dispersion in ground water

    Science.gov (United States)

    Konikow, Leonard F.; Bredehoeft, J.D.

    1978-01-01

    This report presents a model that simulates solute transport in flowing ground water. The model is both general and flexible in that it can be applied to a wide range of problem types. It is applicable to one- or two-dimensional problems involving steady-state or transient flow. The model computes changes in concentration over time caused by the processes of convective transport, hydrodynamic dispersion, and mixing (or dilution) from fluid sources. The model assumes that the solute is non-reactive and that gradients of fluid density, viscosity, and temperature do not affect the velocity distribution. However, the aquifer may be heterogeneous and (or) anisotropic. The model couples the ground-water flow equation with the solute-transport equation. The digital computer program uses an alternating-direction implicit procedure to solve a finite-difference approximation to the ground-water flow equation, and it uses the method of characteristics to solve the solute-transport equation. The latter uses a particle- tracking procedure to represent convective transport and a two-step explicit procedure to solve a finite-difference equation that describes the effects of hydrodynamic dispersion, fluid sources and sinks, and divergence of velocity. This explicit procedure has several stability criteria, but the consequent time-step limitations are automatically determined by the program. The report includes a listing of the computer program, which is written in FORTRAN IV and contains about 2,000 lines. The model is based on a rectangular, block-centered, finite difference grid. It allows the specification of any number of injection or withdrawal wells and of spatially varying diffuse recharge or discharge, saturated thickness, transmissivity, boundary conditions, and initial heads and concentrations. The program also permits the designation of up to five nodes as observation points, for which a summary table of head and concentration versus time is printed at the end of the

  4. Spin transport of the frustrated quasi-two-dimensional XY-like antiferromagnet

    Science.gov (United States)

    Lima, L. S.

    2017-01-01

    We use the Self Consistent Harmonic Approximation together with the Kubo formalism of the Linear Response Theory to study the spin transport in the two-dimensional frustrated Heisenberg antiferromagnet in a square lattice with easy-plane ion single anisotropy. The regular part of the spin conductivity σreg(ω) is determined for several values of the critical ion single parameter Dc, that separates the low D region from the large D quantum paramagnetic phase. We have obtained an abrupt change in the spin conductivity in the discontinuity points of the graphic Dc vs. η, where the system presents a quantum phase transition.

  5. Photon-assisted spin transport in a two-dimensional electron gas

    OpenAIRE

    Fistul, M. V.; Efetov, K. B.

    2007-01-01

    We study spin-dependent transport in a two-dimensional electron gas subject to an external step-like potential $V(x)$ and irradiated by an electromagnetic field (EF). In the absence of EF the electronic spectrum splits into spin sub-bands originating from the "Rashba" spin-orbit coupling. We show that the resonant interaction of propagating electrons with the component EF parallel to the barrier induces a \\textit{% non-equilibrium dynamic gap} $(2\\Delta_{R})$ between the spin sub-bands. Exist...

  6. Transport properties of magnetic-codoped two-dimensional hole system

    Energy Technology Data Exchange (ETDEWEB)

    Knott, Stefan; Wurstbauer, Ursula; Hansen, Wolfgang [Institut fuer Angewandte Physik, Universitaet Hamburg (Germany)

    2009-07-01

    The interaction of localized magnetic moments with a two dimensional hole system (2DHS) is studied with low-temperature magneto-transport measurements on molecular beam epitaxially grown InAs or InAlGaAs quantum-well structures that are C-modulation and Mn co-doped. Measurements in magnetic fields applied perpendicular to the 2DHS reveal the typical transport behaviour of a two-dimensional charge carrier system indicated by Shubnikov-de Haas oscillations and quantum-Hall plateaus. Investigations at milli-Kelvin temperatures show a metal-insulator transition in the low field region. The fully spin-polarized quantum Hall state at filling factor {nu}=1 is very pronounced, i.e. over a field range of more than 4 T the longitudinal resistance vanishes and the Hall resistance is constant. Surprisingly, the {nu}=2 state seems to be fully suppressed whereas the {nu}=3 state is clearly resolved by an indistinct structure in the Hall resistance and a minimum in the longitudinal resistance. Transport measurements in tilted magnetic fields are carried out to resolve the nature of the observed quantum-Hall states.

  7. Transport Properties of Two-Dimensional Electron Gases in Antiparallel Magnetic-Electric Barrier Structures

    Institute of Scientific and Technical Information of China (English)

    PING Yun-Xia; CHENG Ze

    2006-01-01

    We study theoretically transport properties of two-dimensional electron gases through antiparallel magnetic electric barrier structures. Two kinds of magnetic barrier configurations are employed: one is that the strength of the double δ-function in opposite directions is equal and the other is that the strength is unequal. Similarities and differences of electronic transports are presented. It is found that the transmission and the conductance depend strongly on the shape of the magnetic barrier and the height of the electric barrier. The results indicate that this system does not possess any spin filtering and spin polarization and electron gases can realize perfect resonant tunneling and wave-vector filtering properties. Moreover, the strength of the effect of the inhomogeneous magnetic field on the transport properties is discussed.

  8. Two-dimensional charge transport in self-organized, high-mobility conjugated polymers

    DEFF Research Database (Denmark)

    Sirringhaus, H.; Brown, P.J.; Friend, R.H.

    1999-01-01

    Self-organization in many solution-processed, semiconducting conjugated polymers results in complex microstructures, in which ordered microcrystalline domains are embedded in an amorphous matrix(I). This has important consequences for electrical properties of these materials: charge transport...... is usually limited by the most difficult hopping processes and is therefore dominated by the disordered matrix, resulting in low charge-carrier mobilities(2) (less than or equal to 10(-5) cm(2)V(-1)s(-1)). Here we use thin-film, field-effect transistor structures to probe the transport properties...... of the ordered microcrystalline domains in the conjugated polymer poly(3-hexylthiophene), P3HT, Self-organization in P3HT results in a lamella structure with two-dimensional conjugated sheets formed by interchain stacking. We find that, depending on processing conditions, the lamellae can adopt two different...

  9. Isotropic model of fractional transport in two-dimensional bounded domains.

    Science.gov (United States)

    Kullberg, A; del-Castillo-Negrete, D; Morales, G J; Maggs, J E

    2013-05-01

    A two-dimensional fractional Laplacian operator is derived and used to model nonlocal, nondiffusive transport. This integro-differential operator appears in the long-wavelength, fluid description of quantities undergoing non-Brownian random walks without characteristic length scale. To study bounded domains, a mask function is introduced that modifies the kernel in the fractional Laplacian and removes singularities at the boundary. Green's function solutions to the fractional diffusion equation are presented for the unbounded domain and compared to the one-dimensional Cartesian approximations. A time-implicit numerical integration scheme is presented to study fractional diffusion in a circular disk with azimuthal symmetry. Numerical studies of steady-state reveal temperature profiles in which the heat flux and temperature gradient are in the same direction, i.e., uphill transport. The response to off-axis heating, scaling of confinement time with system size, and propagation of cold pulses are investigated.

  10. Two-Dimensional Spatial Imaging of Charge Transport in Germanium Crystals at Cryogenic Temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Moffatt, Robert [Stanford U.

    2016-01-01

    In this dissertation, I describe a novel apparatus for studying the transport of charge in semiconductors at cryogenic temperatures. The motivation to conduct this experiment originated from an asymmetry observed between the behavior of electrons and holes in the germanium detector crystals used by the Cryogenic Dark Matter Search (CDMS). This asymmetry is a consequence of the anisotropic propagation of electrons in germanium at cryogenic temperatures. To better model our detectors, we incorporated this effect into our Monte Carlo simulations of charge transport. The purpose of the experiment described in this dissertation is to test those models in detail. Our measurements have allowed us to discover a shortcoming in our most recent Monte Carlo simulations of electrons in germanium. This discovery would not have been possible without the measurement of the full, two-dimensional charge distribution, which our experimental apparatus has allowed for the first time at cryogenic temperatures.

  11. Role of quenching on superdiffusive transport in two-dimensional random media.

    Science.gov (United States)

    Barthelemy, Pierre; Bertolotti, Jacopo; Vynck, Kevin; Lepri, Stefano; Wiersma, Diederik S

    2010-07-01

    Transport in random media is known to be affected by quenched disorder. From the point of view of random walks, quenching induces correlations between steps that may alter the dynamical properties of the medium. This paper is intended to provide more insight into the role of quenched disorder on superdiffusive transport in two-dimensional random media. The systems under consideration are disordered materials called Lévy glasses that exhibit large spatial fluctuations in the density of scattering elements. We show that in an ideal Lévy glass the influence of quenching can be neglected, in the sense that transport follows to very good approximation that of a standard Lévy walk. We also show that, by changing sample parameters, quenching effects can be increased intentionally, thereby making it possible to investigate systematically diverse regimes of transport. In particular, we find that strong quenching induces local trapping effects which slow down superdiffusion and lead to a transient subdiffusivelike transport regime close to the truncation time of the system.

  12. A standard test case suite for two-dimensional linear transport on the sphere

    Directory of Open Access Journals (Sweden)

    P. H. Lauritzen

    2012-06-01

    Full Text Available It is the purpose of this paper to propose a standard test case suite for two-dimensional transport schemes on the sphere intended to be used for model development and facilitating scheme intercomparison. The test cases are designed to assess important aspects of accuracy in geophysical fluid dynamics such as numerical order of convergence, "minimal" resolution, the ability of the transport scheme to preserve filaments, transport "rough" distributions, and to preserve pre-existing functional relations between species/tracers under challenging flow conditions.

    The experiments are designed to be easy to set up. They are specified in terms of two analytical wind fields (one non-divergent and one divergent and four analytical initial conditions (varying from smooth to discontinuous. Both conventional error norms as well as novel mixing and filament preservation diagnostics are used that are easy to implement. The experiments pose different challenges for the range of transport approaches from Lagrangian to Eulerian. The mixing and filament preservation diagnostics do not require an analytical/reference solution, which is in contrast to standard error norms where a "true" solution is needed. Results using the CSLAM (Conservative Semi-Lagrangian Multi-tracer scheme on the cubed-sphere are presented for reference and illustrative purposes.

  13. Parallel processing method for two-dimensional Sn transport code DOT3.5

    Energy Technology Data Exchange (ETDEWEB)

    Uematsu, Mikio [Toshiba Corp., Kawasaki, Kanagawa (Japan)

    1998-03-01

    A parallel processing method for the two-dimensional Sn transport code DOT3.5 has been developed to achieve drastic reduction of computation time. In the proposed method, parallelization is made with angular domain decomposition and/or space domain decomposition. Calculational speedup for parallel processing by angular domain decomposition is achieved by minimizing frequency of communications between processing elements. As for parallel processing by space domain decomposition, two-step rescaling method consisting of segmentwise rescaling and the ordinary pointwise rescaling have been developed to accelerate convergence, which will otherwise be degraded because of discontinuity at the segment boundaries. The developed method was examined with a Sun workstation using the PVM message-passing library, and sufficient speedup was observed. (author)

  14. Magnetoelectronic transport of the two-dimensional electron gas in CdSe single quantum wells

    Indian Academy of Sciences (India)

    P K Ghosh; A Ghosal; D Chattopadhyay

    2009-02-01

    Hall mobility and magnetoresistance coefficient for the two-dimensional (2D) electron transport parallel to the heterojunction interfaces in a single quantum well of CdSe are calculated with a numerical iterative technique in the framework of Fermi–Dirac statistics. Lattice scatterings due to polar-mode longitudinal optic (LO) phonons, and acoustic phonons via deformation potential and piezoelectric couplings, are considered together with background and remote ionized impurity interactions. The parallel mode of piezoelectric scattering is found to contribute more than the perpendicular mode. We observe that the Hall mobility decreases with increasing temperature but increases with increasing channel width. The magnetoresistance coefficient is found to decrease with increasing temperature and increase with increasing magnetic field in the classical region.

  15. Coherent phonon transport in short-period two-dimensional superlattices of graphene and boron nitride

    Science.gov (United States)

    da Silva, Carlos; Saiz, Fernan; Romero, David A.; Amon, Cristina H.

    2016-03-01

    Promoting coherent transport of phonons at material interfaces is a promising strategy for controlling thermal transport in nanostructures and an alternative to traditional methods based on structural defects. Coherent transport is particularly relevant in short-period heterostructures with smooth interfaces and long-wavelength heat-carrying phonons, such as two-dimensional superlattices of graphene and boron nitride. In this work, we predict phonon properties and thermal conductivities in these superlattices using a normal mode decomposition approach. We study the variation of the frequency dependence of these properties with the periodicity and interface configuration (zigzag and armchair) for superlattices with period lengths within the coherent regime. Our results showed that the thermal conductivity decreases significantly from the first period length (0.44 nm) to the second period length (0.87 nm), 13% across the interfaces and 16% along the interfaces. For greater periods, the conductivity across the interfaces continues decreasing at a smaller rate of 11 W/mK per period length increase (0.43 nm), driven by changes in the phonon group velocities (coherent effects). In contrast, the conductivity along the interfaces slightly recovers at a rate of 2 W/mK per period, driven by changes in the phonon relaxation times (diffusive effects). By changing the interface configuration from armchair to zigzag, the conductivities for all period lengths increase by approximately 7% across the interfaces and 19% along the interfaces.

  16. Charge transport and mobility engineering in two-dimensional transition metal chalcogenide semiconductors.

    Science.gov (United States)

    Li, Song-Lin; Tsukagoshi, Kazuhito; Orgiu, Emanuele; Samorì, Paolo

    2016-01-01

    Two-dimensional (2D) van der Waals semiconductors represent the thinnest, air stable semiconducting materials known. Their unique optical, electronic and mechanical properties hold great potential for harnessing them as key components in novel applications for electronics and optoelectronics. However, the charge transport behavior in 2D semiconductors is more susceptible to external surroundings (e.g. gaseous adsorbates from air and trapped charges in substrates) and their electronic performance is generally lower than corresponding bulk materials due to the fact that the surface and bulk coincide. In this article, we review recent progress on the charge transport properties and carrier mobility engineering of 2D transition metal chalcogenides, with a particular focus on the markedly high dependence of carrier mobility on thickness. We unveil the origin of this unique thickness dependence and elaborate the devised strategies to master it for carrier mobility optimization. Specifically, physical and chemical methods towards the optimization of the major factors influencing the extrinsic transport such as electrode/semiconductor contacts, interfacial Coulomb impurities and atomic defects are discussed. In particular, the use of ad hoc molecules makes it possible to engineer the interface with the dielectric and heal the vacancies in such materials. By casting fresh light on the theoretical and experimental studies, we provide a guide for improving the electronic performance of 2D semiconductors, with the ultimate goal of achieving technologically viable atomically thin (opto)electronics.

  17. Two-dimensional molybdenum tungsten diselenide alloys: photoluminescence, Raman scattering, and electrical transport.

    Science.gov (United States)

    Zhang, Mei; Wu, Juanxia; Zhu, Yiming; Dumcenco, Dumitru O; Hong, Jinhua; Mao, Nannan; Deng, Shibin; Chen, Yanfeng; Yang, Yanlian; Jin, Chuanhong; Chaki, Sunil H; Huang, Ying-Sheng; Zhang, Jin; Xie, Liming

    2014-07-22

    Two-dimensional transition-metal dichalcogenide alloys have attracted intense attention due to their tunable band gaps. In the present work, photoluminescence, Raman scattering, and electrical transport properties of monolayer and few-layer molybdenum tungsten diselenide alloys (Mo1-xWxSe2, 0 ≤ x ≤ 1) are systematically investigated. The strong photoluminescence emissions from Mo1-xWxSe2 monolayers indicate composition-tunable direct band gaps (from 1.56 to 1.65 eV), while weak and broad emissions from the bilayers indicate indirect band gaps. The first-order Raman modes are assigned by polarized Raman spectroscopy. Second-order Raman modes are assigned according to its frequencies. As composition changes in Mo1-xWxSe2 monolayers and few layers, the out-of-plane A1g mode showed one-mode behavior, while B2g(1) (only observed in few layers), in-plane E2g(1), and all observed second-order Raman modes showed two-mode behaviors. Electrical transport measurement revealed n-type semiconducting transport behavior with a high on/off ratio (>10(5)) for Mo1-xWxSe2 monolayers.

  18. Phonon transport properties of two-dimensional group-IV materials from ab initio calculations

    Science.gov (United States)

    Peng, Bo; Zhang, Hao; Shao, Hezhu; Xu, Yuanfeng; Ni, Gang; Zhang, Rongjun; Zhu, Heyuan

    2016-12-01

    It has been argued that stanene has lowest lattice thermal conductivity among two-dimensional (2D) group-IV materials because of its largest atomic mass, weakest interatomic bonding, and enhanced ZA phonon scattering due to the breaking of an out-of-plane symmetry selection rule. However, we show that, although the lattice thermal conductivity κ for graphene, silicene, and germanene decreases monotonically with decreasing Debye temperature, unexpected higher κ is observed in stanene. By enforcing all the invariance conditions in 2D materials and including Ge 3 d and Sn 4 d electrons as valence electrons for germanene and stanene, respectively, the lattice dynamics in these materials are accurately described. A large acoustic-optical gap and the bunching of the acoustic-phonon branches significantly reduce phonon scattering in stanene, leading to higher thermal conductivity than germanene. The vibrational origin of the acoustic-optical gap can be attributed to the buckled structure. Interestingly, a buckled system has two competing influences on phonon transport: the breaking of the symmetry selection rule leads to reduced thermal conductivity, and the enlarging of the acoustic-optical gap results in enhanced thermal conductivity. The size dependence of thermal conductivity is investigated as well. In nanoribbons, the κ of silicene, germanene, and stanene is much less sensitive to size effect due to their short intrinsic phonon mean-free paths. This work sheds light on the nature of phonon transport in buckled 2D materials.

  19. Electrical transport of an AlGaN/GaN two-dimensional electron gas

    Energy Technology Data Exchange (ETDEWEB)

    Saxler, A.; Debray, P.; Perrin, R. [and others

    2000-07-01

    An Al{sub x}Ga{sub 1{minus}x}N/GaN two-dimensional electron gas structure with x = 0.13 deposited by molecular beam epitaxy on a GaN layer grown by organometallic vapor phase epitaxy on a sapphire substrate was characterized. Hall effect measurements gave a sheet electron concentration of 5.1x10{sup 12} cm{sup {minus}2} and a mobility of 1.9 x 10{sup 4} cm{sup 2}/Vs at 10 K. Mobility spectrum analysis showed single-carrier transport and negligible parallel conduction at low temperatures. The sheet carrier concentrations determined from Shubnikov-de Haas magnetoresistance oscillations were in good agreement with the Hall data. The electron effective mass was determined to be 0.21 {+-} 0.006 m{sub 0} based on the temperature dependence of the amplitude of Shubnikov-de Haas oscillations. The quantum lifetime was about one-fifth of the transport lifetime of 2.3 x 10{sup {minus}12} s.

  20. Mesoscopic current transport in two-dimensional materials with grain boundaries: Four-point probe resistance and Hall effect

    DEFF Research Database (Denmark)

    Lotz, Mikkel Rønne; Boll, Mads; Østerberg, Frederik Westergaard;

    2016-01-01

    configuration sheet resistance as well as the resistance measured between opposing edges of the square sample have a simple unique dependency on the dimension-less parameter √nρGBG0, where G0 is the sheet conductance of a grain. The value of the ratio RA/RB between resistances measured in A- and B......-configurations depends on the dimensionality of the current transport (i.e., one- or two-dimensional). At low grain density or low grain boundary resistivity, two-dimensional transport is observed. In contrast, at moderate grain density and high grain resistivity, one-dimensional transport is seen. Ultimately...

  1. Enhanced Transport of Passive Tracers In A Time Periodic Two-dimensional Flow

    Science.gov (United States)

    Boffetta, G.; Cencini, M.; Espa, S.; Musacchio, S.

    , investigating systems in which the second condition is violated is much more inter- esting. With this purpose, some experiments have shown how superdiffusion arises in a two-dimensional quasi-geostrophic (planetary-type) flow, where particles can jump for very long time in the same direction performing a Levy flight (Castiglione et al., 2001 ). Moreover, two recent papers (Vulpiani, 1998; Solomon, 2001) show how, also in very simple two-dimensional, time and space periodic cellular flows,anomalous diffusive behaviours can appear. In this paper we present an experimental study of transport in an electromagnetically forced time periodic two-dimensional flow. The flow is generated by applying an electromagnetic forcing on a thin layer of an elec- trolyte solution and reveals in a square grid of alternating vortices. Time dependence can be easily obtained by changing the time dependence of the electric fields. In par- ticular, considering certain values of the imposed oscillation frequencies, particles can display very long jump. Particle Tracking Velocimetry (PTV) is used to measure the flow field. This technique is the most suitable for studying dispersion phenomena in a Lagrangian framework allowing the direct evaluation of particle displacements and related quantities (Cenedese, Querzoli; 2000). Moreover, due to the characteristics of the analyzed flow and to the improvement of the tracking procedure, we have been able to track a great number of particles for time intervals greater than the charac- teristic time-scales of the flow. In order to characterize the time correlations we will evaluate the so-called jumps probabilities with memory which represent the probabil- ities to jump in a given direction conditioned to having experienced jumps in the same direction at previous times. Such statistics will revealed very useful and suitable for detecting the onset of the aforementioned correlations. 2

  2. Two-dimensional numerical modelling of dissolved and particulate pollutant transport in the Three Gorges Reservoir

    Science.gov (United States)

    Hu, W.; Wang, L.-J.; Chen, H.; Holbach, A.; Zheng, B.-H.; Norra, S.; Westrich, B.

    2012-04-01

    After impoundment of the Three Gorges Reservoir (TGR) in 2003, hydrological regimes of the Yangtze River, upstream and downstream of the Three Gorges Dam, have been changed enormously, leading to significant environmental, ecological and social impacts. Nutrients and pollutants from agriculture, industry and municipalities are of concern due to their impact on the aquatic environment and hence, transport behavior of sediment associated pollutants must be modeled and analyzed to establish a sustainable water reservoir management. As part of the Chinese-German Yangtze-Project [1], two-dimensional numerical model TELEMAC is applied to study the dissolved and particulate pollutant transport at different locations of concern in the TGR. In-situ measurement campaigns for morphology and water quality data using mobile measuring device (MINIBAT) are carried out to provide detailed information for the different water bodies at different time. Additional morphological data are taken from cross-section profiles in the literature, the digital elevation model (DEM) of Shuttle Radar Topography Mission (SRTM) from CGIAR. Daily and hourly water level and discharge, suspended sediment concentration and pollutant loads are obtained from the authorities and extracted from literature. The model describes the spatial-temporal flow field, transport and dispersion of sediment associated pollutants with emphasis on the dynamic interaction and mutual influence of the river Yangtze, its major tributaries and adjacent lagoon-like dead water bodies due to the 30 meter annual reservoir water level fluctuation. Since algae bloom, especially in the tributaries and side arms of the mainstream, is one of the major issues occurred after 2003, the results of the numerical modeling together with the statistical analysis of the MINIBAT measurements are used for the eutrophication status analysis. Acknowledgments The Yangtze-Project is funded by the Federal Ministry of Education and Research (BMBF

  3. Mesoscopic current transport in two-dimensional materials with grain boundaries: Four-point probe resistance and Hall effect

    DEFF Research Database (Denmark)

    Lotz, Mikkel Rønne; Boll, Mads; Østerberg, Frederik Westergaard

    2016-01-01

    We have studied the behavior of micro four-point probe (M4PP) measurements on two-dimensional (2D) sheets composed of grains of varying size and grain boundary resistivity by Monte Carlo based finite element (FE) modelling. The 2D sheet of the FE model was constructed using Voronoi tessellation......-configurations depends on the dimensionality of the current transport (i.e., one- or two-dimensional). At low grain density or low grain boundary resistivity, two-dimensional transport is observed. In contrast, at moderate grain density and high grain resistivity, one-dimensional transport is seen. Ultimately......, this affects how measurements on defective systems should be interpreted in order to extract relevant sample parameters. The Hall effect response in all M4PP configurations was only significant for moderate grain densities and fairly large grain boundary resistivity....

  4. Two-Dimensional Core-Collapse Supernova Models with Multi-Dimensional Transport

    CERN Document Server

    Dolence, Joshua C; Zhang, Weiqun

    2014-01-01

    We present new two-dimensional (2D) axisymmetric neutrino radiation/hydrodynamic models of core-collapse supernova (CCSN) cores. We use the CASTRO code, which incorporates truly multi-dimensional, multi-group, flux-limited diffusion (MGFLD) neutrino transport, including all relevant $\\mathcal{O}(v/c)$ terms. Our main motivation for carrying out this study is to compare with recent 2D models produced by other groups who have obtained explosions for some progenitor stars and with recent 2D VULCAN results that did not incorporate $\\mathcal{O}(v/c)$ terms. We follow the evolution of 12, 15, 20, and 25 solar-mass progenitors to approximately 600 milliseconds after bounce and do not obtain an explosion in any of these models. Though the reason for the qualitative disagreement among the groups engaged in CCSN modeling remains unclear, we speculate that the simplifying ``ray-by-ray' approach employed by all other groups may be compromising their results. We show that ``ray-by-ray' calculations greatly exaggerate the ...

  5. Strain-modulated electronic and thermal transport properties of two-dimensional O-silica

    Science.gov (United States)

    Han, Yang; Qin, Guangzhao; Jungemann, Christoph; Hu, Ming

    2016-07-01

    Silica is one of the most abundant materials in the Earth’s crust and is a remarkably versatile and important engineering material in various modern science and technology. Recently, freestanding and well-ordered two-dimensional (2D) silica monolayers with octahedral (O-silica) building blocks were found to be theoretically stable by (Wang G et al 2015 J. Phys. Chem. C 119 15654-60). In this paper, by performing first-principles calculations, we systematically investigated the electronic and thermal transport properties of 2D O-silica and also studied how these properties can be tuned by simple mechanical stretching. Unstrained 2D O-silica is an insulator with an indirect band gap of 6.536 eV. The band gap decreases considerably with bilateral strain up to 29%, at which point a semiconductor-metal transition occurs. More importantly, the in-plane thermal conductivity of freestanding 2D O-silica is found to be unusually high, which is around 40 to 50 times higher than that of bulk α-quartz and more than two orders of magnitude higher than that of amorphous silica. The thermal conductivity of O-silica decreases by almost two orders of magnitude when the bilateral stretching strain reaches 10%. By analyzing the mode-dependent phonon properties and phonon-scattering channel, the phonon lifetime is found to be the dominant factor that leads to the dramatic decrease of the lattice thermal conductivity under strain. The very sensitive response of both band gap and phonon transport properties to the external mechanical strain will enable 2D O-silica to easily adapt to the different environment of realistic applications. Our study is expected to stimulate experimental exploration of further physical and chemical properties of 2D silica systems, and offers perspectives on modulating the electronic and thermal properties of related low-dimensional structures for applications such as thermoelectric, photovoltaic, and optoelectronic devices.

  6. Spin transport in the two-dimensional quantum disordered anisotropic Heisenberg model

    Energy Technology Data Exchange (ETDEWEB)

    Lima, L.S. [Departamento de Física e Matemática, Centro Federal de Educação Tecnológica de Minas Gerais, 30510-000 Belo Horizonte, MG (Brazil); Pires, A.S.T.; Costa, B.V. [Departamento de Física ICEx, UFMG, CP 702, 31270-901 Belo Horizonte, MG (Brazil)

    2014-12-15

    We use the self consistent harmonic approximation together with the Linear Response Theory to study the effect of nonmagnetic disorder on spin transport in the quantum diluted two-dimensional anisotropic Heisenberg model with spin S=1 in a square lattice. The model has a BKT transition at zero dilution. We calculate the regular part of the spin conductivity σ{sup reg}(ω) and the Drude weight D{sub S}(T) as a function of the non-magnetic concentration, x. Our calculations show that the spin conductivity drops abruptly to zero at x{sub c}{sup SCHA}≈0.5 indicating that the system changes from an ideal spin conductor state to an insulator. This value is far above the site percolation threshold x{sub c}{sup site}≈0.41. Although the SCHA fails in determining precisely the percolation threshold, both the spin conductivity and the Drude weight show a quite regular behavior inside 0≤x≤x{sub c}{sup SCHA} indicating that the transition stays in the same universality class all along the interval. - Highlights: • The site dilution generates a large influence on regular part of the spin conductivity, σ{sup reg}(ω), and in the Drude weight, D(T). • In a concentration of impurities about x≈0.5, the regular part of the spin conductivity and the Drude weight fall to zero. • In this point we have a change in the state of the system from an ideal spin conductor to a spin insulator.

  7. Charge Transport in Antiferromagnetic Insulating Phase of Two-Dimensional Organic Conductor λ-(BETS)2FeCl4

    Science.gov (United States)

    Sugiura, Shiori; Shimada, Kazuo; Tajima, Naoya; Nishio, Yutaka; Terashima, Taichi; Isono, Takayuki; Kobayashi, Akiko; Zhou, Biao; Kato, Reizo; Uji, Shinya

    2016-06-01

    Resistance and dielectric constants have been measured in the antiferromagnetic insulating phase of the quasi-two-dimensional organic conductor λ-(BETS)2FeCl4 to understand charge transport. Nonlinear current-voltage characteristics are observed at low temperatures, which are explained by a charge transport model based on the electric-field dependent Coulomb potential between the thermally excited electron and hole. A small dip in the magnetic field dependence of the resistance is found at 1.2 T, which is ascribed to a spin-flop transition. The large difference between the in-plane and out-of-plane dielectric constants shows the two-dimensionality of the Coulomb potential, which is consistent with the charge transport model. The angular dependence of the metal-insulator transition field is determined, which suggests that the Zeeman effect of the 3d spins of the Fe ions plays an essential role.

  8. The TUBES algorithm for the exact representation of advective transport in a two-dimensional discretized flow field

    Energy Technology Data Exchange (ETDEWEB)

    Costa-Cabral, M.C. [GKSS-Forschungszentrum Geesthacht GmbH (Germany). Inst. fuer Hydrophysik

    1999-07-01

    Current Lagrangian models for simulating advective transport of trace species in a discretized two-dimensional flow field use simplified descriptions of tracer sources, receptors and flow paths. When 'forward trajectories' are used, a diffuse source spread over a two-dimensional grid cell is treated as a single point source located at the cell's center, and its flow is projected in the downflow direction by a line. When 'backward trajectories' are used, each cell is treated as a point receptor and flow is projected back in time in the upflow direction by a line. In both cases, two-dimensional sources or receptors are treated as zero dimensional, and two-dimensional flow tubes are replaced by one-dimensional lines. While these simplifications may be acceptable in some cases, they can generate large errors when the flow field contains regions of considerable divergence of flow directions, or when fine scales are used. A new algorithm is introduced, called TUBES, which provides an exact solution to advective transport in a discretized two-dimensional flow field. TUBES uses two-dimensional flow tubes whose width expands and contracts over directionally divergent and convergent regions of the flow field, respectively. TUBES has applications in a wide variety of the earth sciences, including atmospheric science, oceanography, and surface and groundwater hydrology. (orig.) [German] Gegenwaertige Lagrange-Modelle zur Simulation advektiver Transporte von Tracern in einem diskretisierten zweidimensionalen Stroemungsfeld verwenden vereinfachte Beschreibungen der Quellen, Rezeptoren und Transportwege. Bei der Verwendung vorwaerts gerichteter Trajektorien ('forward trajectories') werden diffusive Quellen, die ueber eine zweidimensionale Gitterzelle verteilt sind, als Punktquelle behandelt, und der Transport mit der Stroemung erfolgt entlang einer Linie. Bei der Verwendung rueckwaerts gerichteter Trajektorien ('backward trajectories

  9. Electronic transport in two-dimensional systems in the quantum hall regime

    Science.gov (United States)

    Tarquini, Vinicio

    The integer and the fractional quantum Hall effects are essential to the exploration of quantum matters characterized by topological phases. A quantum Hall system hosts one-dimensional (1D) chiral edge channels that manifest zero magnetoresistance, dissipationless due to the broken time reversal symmetry, and quantized Hall resistance vhe2 with v being the topological invariant (or Chern number). The 1-1 correspondence between the conducting gapless edge channels to the gapped incompressible bulk states is a defining character of a topological insulator (TI). Understanding this correspondence in real systems, especially the origin of its robustness (in terms of the limit of breakdown), is important both fundamentally and practically (i.e. in relation to spintronics). However, the breakdown mechanism, especially in light of the edge-bulk correlation, is still an open question. We adopt GaAs two-dimensional (2D) high-mobility hole systems confined in a 20 nm wide (100)-GaAs quantum wells and have perform transport measurement for a range of charge densities between 4 and 5 x 1010 cm -2 with a carrier mobility of 2 - 4 x 106 cm 2/V·s down to millikelvin temperatures. Systematic characterization of the 2D systems through Shubnikov-de Haas (SdH) oscillations yields an effective mass between 0.30 and 0.50me, in good agreement with the cyclotron resonance results. We then modify a regular Hall bar system into a unique anti-Hall bar geometry that provides an extra set of independent chiral edge channels without altering the topological invariant. We perform systematic measurement of quantum oscillations via chiral edges while simultaneously probing the bulk dynamics, through measuring across independent edges, in respond to the edge excitations. The edge-bulk correspondence reveals a non-equilibrium dynamical development of the incompressible bulk states that leads to a novel asymmetrical 1-0 Hall potential distribution. Moreover, probing the breakdown via inner and outer

  10. Short-pulsed laser transport in two-dimensional scattering media by natural element method.

    Science.gov (United States)

    Zhang, Yong; Yi, Hong-Liang; Xie, Ming; Tan, He-Ping

    2014-04-01

    The natural element method (NEM) is extended to solve transient radiative transfer (TRT) in two-dimensional semitransparent media subjected to a collimated short laser irradiation. The least-squares (LS) weighted residuals approach is employed to spatially discretize the transient radiative heat transfer equation. First, for the case of the refractive index matched boundary, LSNEM solutions to TRT are validated by comparison with results reported in the literature. Effects of the incident angle on time-resolved signals of transmittance and reflectance are investigated. Afterward, the accuracy of this algorithm for the case of the refractive index mismatched boundary is studied. Finally, the LSNEM is extended to study the TRT in a two-dimensional semitransparent medium with refractive index discontinuity irradiated by the short pulse laser. The effects of scattering albedo, optical thickness, scattering phase function, and refractive index on transmittance and reflectance signals are investigated. Several interesting trends on the time-resolved signals are observed and analyzed.

  11. Electrical transport across metal/two-dimensional carbon junctions: Edge versus side contacts

    Directory of Open Access Journals (Sweden)

    Yihong Wu

    2012-03-01

    Full Text Available Metal/two-dimensional carbon junctions are characterized by using a nanoprobe in an ultrahigh vacuum environment. Significant differences were found in bias voltage (V dependence of differential conductance (dI/dV between edge- and side-contact; the former exhibits a clear linear relationship (i.e., dI/dV ∝ V, whereas the latter is characterized by a nonlinear dependence, dI/dV ∝ V3/2. Theoretical calculations confirm the experimental results, which are due to the robust two-dimensional nature of the carbon materials under study. Our work demonstrates the importance of contact geometry in graphene-based electronic devices.

  12. Modeling two-dimensional water flow and bromide transport in a heterogeneous lignitic mine soil

    Energy Technology Data Exchange (ETDEWEB)

    Buczko, U.; Gerke, H.H. [Brandenburg University of Technology, Cottbus (Germany)

    2006-02-15

    Water and solute fluxes in lignitic mine soils and in many other soils are often highly heterogeneous. Here, heterogeneity reflects dumping-induced inclined structures and embedded heterogeneous distributions of sediment mixtures and of lignitic fragments. Such two-scale heterogeneity effects may be analyzed through the application of two-dimensional models for calculating water and solute fluxes. The objective of this study was to gain more insight to what extent spatial heterogeneity of soil hydraulic parameters contributes to preferential flow at a lignitic mine soil. The simulations pertained to the 'Barenbrucker Hohe' site in Germany where previously water fluxes and applied tracers had been monitored with a cell lysimeter, and from where a soil block had been excavated for detailed two-dimensional characterization of the hydraulic parameters using pedotransfer functions. Based on those previous studies, scenarios with different distributions of hydraulic parameters were simulated. The results show that spatial variability of hydraulic parameters alone can hardly explain the observed flow patterns. The observed preferential flow at the site was probably caused by additional factors such as hydrophobicity, the presence of root channels, anisotropy in the hydraulic conductivity, and heterogeneous root distributions. To study the relative importance of these other factors by applying two-dimensional flow models to such sites, the experimental database must be improved. Single-continuum model approaches may be insufficient for such sites.

  13. Quantized transport for a skyrmion moving on a two-dimensional periodic substrate

    Science.gov (United States)

    Reichhardt, C.; Ray, D.; Reichhardt, C. J. Olson

    2015-03-01

    We examine the dynamics of a skyrmion moving over a two-dimensional periodic substrate utilizing simulations of a particle-based skyrmion model. We specifically examine the role of the nondissipative Magnus term on the driven motion and the resulting skyrmion velocity-force curves. In the overdamped limit, there is a depinning transition into a sliding state in which the skyrmion moves in the same direction as the external drive. When there is a finite Magnus component in the equation of motion, a skyrmion in the absence of a substrate moves at an angle with respect to the direction of the external driving force. When a periodic substrate is added, the direction of motion or Hall angle of the skyrmion is dependent on the amplitude of the external drive, only approaching the substrate-free limit for higher drives. Due to the underlying symmetry of the substrate the direction of skyrmion motion does not change continuously as a function of drive, but rather forms a series of discrete steps corresponding to integer or rational ratios of the velocity components perpendicular ( ) and parallel ( ) to the external drive direction: / =n /m , where n and m are integers. The skyrmion passes through a series of directional locking phases in which the motion is locked to certain symmetry directions of the substrate for fixed intervals of the drive amplitude. Within a given directionally locked phase, the Hall angle remains constant and the skyrmion moves in an orderly fashion through the sample. Signatures of the transitions into and out of these locked phases take the form of pronounced cusps in the skyrmion velocity versus force curves, as well as regions of negative differential mobility in which the net skyrmion velocity decreases with increasing external driving force. The number of steps in the transport curve increases when the relative strength of the Magnus term is increased. We also observe an overshoot phenomena in the directional locking, where the skyrmion motion

  14. Mesoscopic current transport in two-dimensional materials with grain boundaries: Four-point probe resistance and Hall effect

    Science.gov (United States)

    Lotz, Mikkel R.; Boll, Mads; Østerberg, Frederik W.; Hansen, Ole; Petersen, Dirch H.

    2016-10-01

    We have studied the behavior of micro four-point probe (M4PP) measurements on two-dimensional (2D) sheets composed of grains of varying size and grain boundary resistivity by Monte Carlo based finite element (FE) modelling. The 2D sheet of the FE model was constructed using Voronoi tessellation to emulate a polycrystalline sheet, and a square sample was cut from the tessellated surface. Four-point resistances and Hall effect signals were calculated for a probe placed in the center of the square sample as a function of grain density n and grain boundary resistivity ρ GB . We find that the dual configuration sheet resistance as well as the resistance measured between opposing edges of the square sample have a simple unique dependency on the dimension-less parameter √{ n } ρ GB G 0 , where G0 is the sheet conductance of a grain. The value of the ratio R A / R B between resistances measured in A- and B-configurations depends on the dimensionality of the current transport (i.e., one- or two-dimensional). At low grain density or low grain boundary resistivity, two-dimensional transport is observed. In contrast, at moderate grain density and high grain resistivity, one-dimensional transport is seen. Ultimately, this affects how measurements on defective systems should be interpreted in order to extract relevant sample parameters. The Hall effect response in all M4PP configurations was only significant for moderate grain densities and fairly large grain boundary resistivity.

  15. Validation and application of a two-dimensional model to simulate soil salt transport under mulched drip irrigation

    Science.gov (United States)

    Jiao, Huiqing; Zhao, Chengyi; Sheng, Yu; Chen, Yan; Shi, Jianchu; Li, Baoguo

    2017-04-01

    Water shortage and soil salinization increasingly become the main constraints for sustainable development of agriculture in Southern Xinjiang, China. Mulched drip irrigation, as a high-efficient water-saving irrigation method, has been widely applied in Southern Xinjiang for cotton production. In order to analyze the reasonability of describing the three-dimensional soil water and salt transport processes under mulched drip irrigation with a relatively simple two-dimensional model, a field experiment was conducted from 2007 to 2015 at Aksu of Southern Xinjiang, and soil water and salt transport processes were simulated through the three-dimensional and two-dimensional models based on COMSOL. Obvious differences were found between three-dimensional and two-dimensional simulations for soil water flow within the early 12 h of irrigation event and for soil salt transport in the area within 15 cm away from drip tubes during the whole irrigation event. The soil water and salt contents simulated by the two-dimensional model, however, agreed well with the mean values between two adjacent emitters simulated by the three-dimensional model, and also coincided with the measurements as corresponding RMSE less than 0.037 cm3 cm-3 and 1.80 g kg-1, indicating that the two-dimensional model was reliable for field irrigation management. Subsequently, the two-dimensional model was applied to simulate the dynamics of soil salinity for five numerical situations and for a widely adopted irrigation pattern in Southern Xinjiang (about 350 mm through mulched drip irrigation during growing season of cotton and total 400 mm through flooding irrigations before sowing and after harvesting). The simulation results indicated that the contribution of transpiration to salt accumulation in root layer was about 75% under mulched drip irrigation. Moreover, flooding irrigations before sowing and after harvesting were of great importance for salt leaching of arable layer, especially in bare strip where

  16. Two-dimensional modeling of electrochemical and transport phenomena in the porous structures of a PEMFC

    Energy Technology Data Exchange (ETDEWEB)

    Sahraoui, Melik [Institut Preparatoire aux Etudes d' Ingenieurs de Tunis (IPEIT) (Tunisia); Kharrat, Chafik; Halouani, Kamel [UR: Micro-Electro-Thermal Systems (METS-ENIS), Industrial Energy Systems Group, Institut Preparatoire aux Etudes d' Ingenieurs de Sfax (IPEIS), University of Sfax, B.P: 1172, 3018 Sfax (Tunisia)

    2009-04-15

    A two-dimensional CFD model of PEM fuel cell is developed by taking into account the electrochemical, mass and heat transfer phenomena occurring in all of its regions simultaneously. The catalyst layers and membrane are each considered as distinct regions with finite thickness and calculated properties such as permeability, local protonic conductivity, and local dissolved water diffusion. This finite thickness model enables to model accurately the protonic current in these regions with higher accuracy than using an infinitesimal interface. In addition, this model takes into account the effect of osmotic drag in the membrane and catalyst layers. General boundary conditions are implemented in a way taking into consideration any given species concentration at the fuel cell inlet, such as water vapor which is a very important parameter in determining the efficiency of fuel cells. Other operating parameters such as temperature, pressure and porosity of the porous structure are also investigated to characterize their effect on the fuel cell efficiency. (author)

  17. Fast transport, atom sample splitting, and single-atom qubit supply in two-dimensional arrays of optical microtraps

    CERN Document Server

    Schlosser, Malte; Gierl, Christian; Teichmann, Stephan; Tichelmann, Sascha; Birkl, Gerhard; 10.1088/1367-2630/14/12/123034

    2013-01-01

    Two-dimensional arrays of optical micro-traps created by microoptical elements present a versatile and scalable architecture for neutral atom quantum information processing, quantum simulation, and the manipulation of ultra-cold quantum gases. In this article, we demonstrate advanced capabilities of this approach by introducing novel techniques and functionalities as well as the combined operation of previously separately implemented functions. We introduce piezo-actuator based transport of atom ensembles over distances of more than one trap separation, examine the capabilities of rapid atom transport provided by acousto-optical beam steering, and analyze the adiabaticity limit for atom transport in these configurations. We implement a spatial light modulator with 8-bit transmission control for the per-site adjustment of the trap depth and the number of atoms loaded. We combine single-site addressing, trap depth control, and atom transport in one configuration for demonstrating the splitting of atom ensembles...

  18. An analytical discrete ordinates solution for a nodal model of a two-dimensional neutron transport problem

    Energy Technology Data Exchange (ETDEWEB)

    Filho, J. F. P. [Institute de Matematica, Estatistica e Fisica, Universidade Federal do Rio Grande, Av. Italia, s/n, 96203-900 Rio Grande, RS (Brazil); Barichello, L. B. [Institute de Matematica, Universidade Federal do Rio Grande do Sul, Av. Bento Goncalves, 9500, 91509-900 Porto Alegre, RS (Brazil)

    2013-07-01

    In this work, an analytical discrete ordinates method is used to solve a nodal formulation of a neutron transport problem in x, y-geometry. The proposed approach leads to an important reduction in the order of the associated eigenvalue systems, when combined with the classical level symmetric quadrature scheme. Auxiliary equations are proposed, as usually required for nodal methods, to express the unknown fluxes at the boundary introduced as additional unknowns in the integrated equations. Numerical results, for the problem defined by a two-dimensional region with a spatially constant and isotropically emitting source, are presented and compared with those available in the literature. (authors)

  19. Effects of engine emissions from high-speed civil transport aircraft: A two-dimensional modeling study, part 2

    Science.gov (United States)

    Ko, Malcolm K. W.; Weisenstein, Debra K.; Sze, Nein Dak; Shia, Run-Lie; Rodriguez, Jose M.; Heisey, Curtis

    1991-01-01

    The AER two-dimensional chemistry-transport model is used to study the effect of supersonic and subsonic aircraft operation in the 2010 atmosphere on stratospheric ozone (O3). The results show that: (1) the calculated O3 response is smaller in the 2010 atmosphere compared to previous calculations performed in the 1980 atmosphere; (2) with the emissions provided, the calculated decrease in O3 column is less than 1 percent; and (3) the effect of model grid resolution on O3 response is small provided that the physics is not modified.

  20. Diverse anisotropy of phonon transport in two-dimensional IV-VI compounds: A first-principles study

    CERN Document Server

    Qin, Guangzhao; Fang, Wu-Zhang; Zhang, Li-Chuan; Yue, Sheng-Ying; Yan, Qing-Bo; Hu, Ming; Su, Gang

    2016-01-01

    New class two-dimensional (2D) materials beyond graphene, including layered and non-layered, and their heterostructures, are currently attracting increasing interest due to their promising applications in nanoelectronics, optoelectronics and clean energy, where thermal transport property is one of the fundamental physical parameters. In this paper, we systematically investigated the phonon transport properties of 2D orthorhombic IV-VI compounds of $GeS$, $GeSe$, $SnS$ and $SnSe$ by solving the Boltzmann transport equation (BTE) based on first-principles calculations. Despite the similar puckered (hinge-like) structure along the armchair direction as phosphorene, the four monolayer compounds possess diverse anisotropic properties in many aspects, such as group velocity, Young's modulus and lattice thermal conductivity ($\\kappa$), etc. Especially, the $\\kappa$ along the zigzag and armchair directions of monolayer $GeS$ shows the strongest anisotropy while monolayer $SnS$ and $SnSe$ shows an almost isotropy in p...

  1. Two Dimensional Core-Collapse Supernova Explosions Aided by General Relativity with Multidimensional Neutrino Transport

    CERN Document Server

    O'Connor, Evan

    2015-01-01

    We present results from computational simulations of core-collapse supernovae in {\\tt FLASH} using a newly-implemented multidimensional neutrino transport scheme and a newly-implemented general relativistic (GR) treatment of gravity. For the neutrino transport, we use a two moment method with an analytic closure (so-called M1 transport). This transport is multienergy, multispecies and truly multidimensional since we do not assume the commonly used ray-by-ray approximation. Our GR gravity is implemented in our Newtonian hydrodynamics simulations via an effective relativistic potential that closely reproduces the GR structure of neutron stars and has been shown to match GR simulations of core collapse quite well. In axisymmetry, we simulate core-collapse supernovae with five different progenitor models in both Newtonian and GR gravity. We find that the more compact protoneutron star structure realized in simulations with GR gravity gives higher neutrino luminosities and higher neutrino energies. These differenc...

  2. Sensitivity analysis explains quasi-one-dimensional current transport in two-dimensional materials

    DEFF Research Database (Denmark)

    Boll, Mads; Lotz, Mikkel Rønne; Hansen, Ole;

    2014-01-01

    . The sensitivity analysis presents a formal definition of quasi-1D current transport, which was recently observed experimentally in chemical-vapor-deposition graphene. Our numerical model for calculating sensitivity is verified by comparing the model to analytical calculations based on conformal mapping...

  3. Transport at low electron density in the two-dimensional electron gas of silicon MOSFETs

    NARCIS (Netherlands)

    Heemskerk, Richard

    1998-01-01

    his thesis contains the result of an experimental study on the transport properties of high quality Si MOSFETs at low temperatures. A metalinsulator transition is found at a critical electron density. The electrons in the inversion layer of a silicon MOSFET are trapped in a potential well at the Si-

  4. A two-dimensional simulation of tritium transport in the vadose zone at the Nevada Test site

    Energy Technology Data Exchange (ETDEWEB)

    Ross, W.C.; Wheatcraft, S.W.

    1994-09-01

    The site of a 0.75-kiloton underground nuclear explosion, the Cambric event, was selected for the study of radionuclide transport in the hydrologic environment. Water samples from RNM-2S, a well located 91 m from Cambric, have been analyzed for tritium and other radionuclides since the initiation of pumping. Water from RNM-2S flows to Frenchman Lake via an unlined canal. Flume data indicate canal transmission losses of approximately 2m{sup 3}/day/meter of canal. To determine if infiltrating canal water might be recirculated by RNM-2S, and therefore provide an additional radionuclide input to water samples collected at RNM-2S, a two-dimensional variably saturated solute transport computer model (SATURN, Huyakorn et al., 1983) was used to simulate the movement of tritium from the canal to the water table. Results indicate that recirculated canal water has not had a significant effect on the breakthrough of tritium at RNM-2S.

  5. Two-dimensional modelling of benzene transport and biodegradation in a laboratory-scale aquifer.

    Science.gov (United States)

    Choi, N C; Choi, J W; Kim, S B; Park, S J; Kim, D J

    2009-01-01

    In this study biodegradation of aqueous benzene during transport in a laboratory-scale aquifer model was investigated by conducting a 2-D plume test and numerical modelling. Benzene biodegradation and transport was simulated with the 2-D numerical model developed for solute transport coupled with a Haldane-Andrews type function for inclusion of an inhibition constant which is effective for high concentrations. Experimental data revealed that in the early stages the benzene plume showed a rather clear shape but lost its shape with increased travel time. The mass recoveries of benzene at 9, 16, and 22 h were 37, 13 and 8%, respectively, showing that a significant mass reduction of aqueous benzene occurred in the model aquifer. The major processes responsible for the mass reduction were biodegradation and irreversible sorption. The modelling results also indicated that the simulation based on the microbial parameters from the batch experiments slightly overestimated the mass reduction of benzene during transport. The sensitivity analysis demonstrated that the benzene plume was sensitive to the maximum specific growth rate and slightly sensitive to the half-saturation constant of benzene but almost insensitive to the Haldane inhibition constant. The insensitivity to the Haldane inhibition constant was due to the rapid decline of the benzene peak concentration by natural attenuation such as hydrodynamic dispersion and irreversible sorption. An analysis of the model simulation also indicated that the maximum specific growth rate was the key parameter controlling the plume behaviour, but its impact on the plume was affected by competing parameter such as the irreversible sorption rate coefficient.

  6. Revealing origin of quasi-one dimensional current transport in defect rich two dimensional materials

    Energy Technology Data Exchange (ETDEWEB)

    Lotz, Mikkel R.; Boll, Mads; Bøggild, Peter; Petersen, Dirch H., E-mail: dirch.petersen@nanotech.dtu.dk [Center for Nanostructured Graphene (CNG), Department of Micro- and Nanotechnology, Technical University of Denmark, DTU Nanotech Building 345 East, DK-2800 Kgs. Lyngby (Denmark); Hansen, Ole [Department of Micro- and Nanotechnology, Technical University of Denmark, DTU Nanotech Building 345 East, DK-2800 Kgs. Lyngby (Denmark); Danish National Research Foundation' s Center for Individual Nanoparticle Functionality (CINF), Technical University of Denmark, DK-2800 Kgs. Lyngby (Denmark); Kjær, Daniel [Department of Micro- and Nanotechnology, Technical University of Denmark, DTU Nanotech Building 345 East, DK-2800 Kgs. Lyngby (Denmark); CAPRES A/S, Scion-DTU, Building 373, DK-2800 Kgs. Lyngby (Denmark)

    2014-08-04

    The presence of defects in graphene have for a long time been recognized as a bottleneck for its utilization in electronic and mechanical devices. We recently showed that micro four-point probes may be used to evaluate if a graphene film is truly 2D or if defects in proximity of the probe will lead to a non-uniform current flow characteristic of lower dimensionality. In this work, simulations based on a finite element method together with a Monte Carlo approach are used to establish the transition from 2D to quasi-1D current transport, when applying a micro four-point probe to measure on 2D conductors with an increasing amount of line-shaped defects. Clear 2D and 1D signatures are observed at low and high defect densities, respectively, and current density plots reveal the presence of current channels or branches in defect configurations yielding 1D current transport. A strong correlation is found between the density filling factor and the simulation yield, the fraction of cases with 1D transport and the mean sheet conductance. The upper transition limit is shown to agree with the percolation threshold for sticks. Finally, the conductance of a square sample evaluated with macroscopic edge contacts is compared to the micro four-point probe conductance measurements and we find that the micro four-point probe tends to measure a slightly higher conductance in samples containing defects.

  7. Characteristic length of phonon transport within periodic nanoporous thin films and two-dimensional materials

    Science.gov (United States)

    Hao, Qing; Xiao, Yue; Zhao, Hongbo

    2016-08-01

    In the past two decades, phonon transport within nanoporous thin films has attracted enormous attention for their potential applications in thermoelectrics and thermal insulation. Various computational studies have been carried out to explain the thermal conductivity reduction within these thin films. Considering classical phonon size effects, the lattice thermal conductivity can be predicted assuming diffusive pore-edge scattering of phonons and bulk phonon mean free paths. Following this, detailed phonon transport can be simulated for a given porous structure to find the lattice thermal conductivity [Hao et al., J. Appl. Phys. 106, 114321 (2009)]. However, such simulations are intrinsically complicated and cannot be used for the data analysis of general samples. In this work, the characteristic length Λ P o r e of periodic nanoporous thin films is extracted by comparing the predictions of phonon Monte Carlo simulations and the kinetic relationship using bulk phonon mean free paths modified by Λ P o r e . Under strong ballistic phonon transport, Λ P o r e is also extracted by the Monte Carlo ray-tracing method for graphene with periodic nanopores. The presented model can be widely used to analyze the measured thermal conductivities of such nanoporous structures.

  8. A two-dimensional model for the transport of pollutants in an urban basin

    Science.gov (United States)

    Liu, C. Y.; Goodin, W. R.

    1977-01-01

    The distribution of carbon monoxide emitted mainly from an automobile exhaust is investigated. Carbon monoxide is assumed to be chemically inert. The transport model, in analogy with the shallow-water theory in fluid dynamics, considers variation of all physical quantities in the horizontal direction below the temperature inversion layer. Pollutants are found to be carried primarily by the wind; turbulent diffusion in a normal day plays only a minor role. The concentration of CO predicted by the present model for the entire Los Angeles basin is compared with observed data at nine stations. Accuracy of four different numerical schemes, the effect of turbulent diffusivity, and the source strengths are examined.

  9. Improved non-local electron thermal transport model for two-dimensional radiation hydrodynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Duc; Moses, Gregory [University of Wisconsin—Madison, 1500 Engineering Drive, Madison, Wisconsin 53706 (United States); Delettrez, Jacques [Laboratory for Laser Energetics of the University of Rochester, 250 East River Road, Rochester, New York 14623 (United States)

    2015-08-15

    An implicit, non-local thermal conduction algorithm based on the algorithm developed by Schurtz, Nicolai, and Busquet (SNB) [Schurtz et al., Phys. Plasmas 7, 4238 (2000)] for non-local electron transport is presented and has been implemented in the radiation-hydrodynamics code DRACO. To study the model's effect on DRACO's predictive capability, simulations of shot 60 303 from OMEGA are completed using the iSNB model, and the computed shock speed vs. time is compared to experiment. Temperature outputs from the iSNB model are compared with the non-local transport model of Goncharov et al. [Phys. Plasmas 13, 012702 (2006)]. Effects on adiabat are also examined in a polar drive surrogate simulation. Results show that the iSNB model is not only capable of flux-limitation but also preheat prediction while remaining numerically robust and sacrificing little computational speed. Additionally, the results provide strong incentive to further modify key parameters within the SNB theory, namely, the newly introduced non-local mean free path. This research was supported by the Laboratory for Laser Energetics of the University of Rochester.

  10. MOFAT: A two-dimensional finite element program for multiphase flow and multicomponent transport. Program documentation and user's guide

    Science.gov (United States)

    Katyal, A. K.; Kaluarachchi, J. J.; Parker, J. C.

    1991-05-01

    The manual describes a two-dimensional finite element model for coupled multiphase flow and multicomponent transport in planar or radially symmetric vertical sections. Flow and transport of three fluid phases, including water, nonaqueous phase liquid (NAPL), and gas are considered by the program. The program can simulate flow only or coupled flow and transport. The flow module can be used to analyze two phases, water and NAPL, with the gas phase held at constant pressure, or explicit three-phase flow of water, NAPL, and gas at various pressures. The transport module can handle up to five components which partition among water, NAPL, gas and solid phases assuming either local equilibrium or first-order mass transfer. Three phase permeability-saturation-capillary pressure relations are defined by an extension of the van Genuchten model. The governing equations are solved using an efficient upstream-weighted finite element scheme. The required inputs for flow and transport analysis are described. Detailed instructions for creating data files needed to run the program and examples of input and output files are given in appendices.

  11. Diverse anisotropy of phonon transport in two-dimensional group IV-VI compounds: A comparative study

    Science.gov (United States)

    Qin, Guangzhao; Qin, Zhenzhen; Fang, Wu-Zhang; Zhang, Li-Chuan; Yue, Sheng-Ying; Yan, Qing-Bo; Hu, Ming; Su, Gang

    2016-05-01

    New classes of two-dimensional (2D) materials beyond graphene, including layered and non-layered, and their heterostructures, are currently attracting increasing interest due to their promising applications in nanoelectronics, optoelectronics and clean energy, where thermal transport is a fundamental physical parameter. In this paper, we systematically investigated the phonon transport properties of the 2D orthorhombic group IV-VI compounds of GeS, GeSe, SnS and SnSe by solving the Boltzmann transport equation (BTE) based on first-principles calculations. Despite their similar puckered (hinge-like) structure along the armchair direction as phosphorene, the four monolayer compounds possess diverse anisotropic properties in many aspects, such as phonon group velocity, Young's modulus and lattice thermal conductivity (κ), etc. Especially, the κ along the zigzag and armchair directions of monolayer GeS shows the strongest anisotropy while monolayer SnS and SnSe show almost isotropy in phonon transport. The origin of the diverse anisotropy is fully studied and the underlying mechanism is discussed in details. With limited size, the κ could be effectively lowered, and the anisotropy could be effectively modulated by nanostructuring, which would extend the applications to nanoscale thermoelectrics and thermal management. Our study offers fundamental understanding of the anisotropic phonon transport properties of 2D materials, and would be of significance for further study, modulation and applications in emerging technologies.

  12. Revealing origin of quasi-one dimensional current transport in defect rich two dimensional materials

    DEFF Research Database (Denmark)

    Lotz, Mikkel Rønne; Boll, Mads; Hansen, Ole;

    2014-01-01

    The presence of defects in graphene have for a long time been recognized as a bottleneck for its utilization in electronic and mechanical devices. We recently showed that micro four-point probes may be used to evaluate if a graphene film is truly 2D or if defects in proximity of the probe will lead...... to a non-uniform current flow characteristic of lower dimensionality. In this work, simulations based on a finite element method together with a Monte Carlo approach are used to establish the transition from 2D to quasi-1D current transport, when applying a micro four-point probe to measure on 2D...... contacts is compared to the micro four-point probe conductance measurements and we find that the micro four-point probe tends to measure a slightly higher conductance in samples containing defects. (C) 2014 AIP Publishing LLC....

  13. Two-Dimensional Dirac Fermions in a Topological Insulator: Transport in the Quantum Limit

    Energy Technology Data Exchange (ETDEWEB)

    Analytis, J.G.; /SIMES, Stanford /SLAC /Stanford U., Geballe Lab /Stanford U., Appl. Phys. Dept.; McDonald, R.D.; /Los Alamos; Riggs, S.C.; /Natl. High Mag. Field Lab.; Chu, J.-H.; /SIMES, Stanford /SLAC /Stanford U., Geballe Lab /Stanford U., Appl. Phys. Dept.; Boebinger, G.S.; /Natl. High Mag. Field Lab.; Fisher, I.R.; /SIMES, Stanford /SLAC /Stanford U., Geballe Lab /Stanford U., Appl. Phys. Dept.

    2011-08-12

    Pulsed magnetic fields of up to 55T are used to investigate the transport properties of the topological insulator Bi{sub 2}Se{sub 3} in the extreme quantum limit. For samples with a bulk carrier density of n = 2.9 x 10{sup 16} cm{sup -3}, the lowest Landau level of the bulk 3D Fermi surface is reached by a field of 4T. For fields well beyond this limit, Shubnikov-de Haas oscillations arising from quantization of the 2D surface state are observed, with the {nu} = 1 Landau level attained by a field of {approx} 35T. These measurements reveal the presence of additional oscillations which occur at fields corresponding to simple rational fractions of the integer Landau indices.

  14. Temperature and magnetic field effects on electron transport through DNA molecules in a two-dimensional four-channel system.

    Science.gov (United States)

    Joe, Yong S; Lee, Sun H; Hedin, Eric R; Kim, Young D

    2013-06-01

    We utilize a two-dimensional four-channel DNA model, with a tight-binding (TB) Hamiltonian, and investigate the temperature and the magnetic field dependence of the transport behavior of a short DNA molecule. Random variation of the hopping integrals due to the thermal structural disorder, which partially destroy phase coherence of electrons and reduce quantum interference, leads to a reduction of the localization length and causes suppressed overall transmission. We also incorporate a variation of magnetic field flux density into the hopping integrals as a phase factor and observe Aharonov-Bohm (AB) oscillations in the transmission. It is shown that for non-zero magnetic flux, the transmission zero leaves the real-energy axis and moves up into the complex-energy plane. We also point out that the hydrogen bonds between the base pair with flux variations play a role to determine the periodicity of AB oscillations in the transmission.

  15. Air pollutant transport in a coastal environment. Part 1: Two-dimensional simulations of sea-breeze and mountain effects

    Science.gov (United States)

    Lu, Rong; Turco, Richard P.

    1994-01-01

    Over the southern California coastal region, observations of the vertical distributions of pollutants show that maximum concentrations can occur within temperature inversion layers well above the surface. A mesoscale model is used to study the dynamical phenomena that cause such layers, including sea breezes and mountain flows, and to study the characteristics of air pollutant transport in a coastal environment capped by a temperature inversion. The mathematical and physical structure of the model is described. Two-dimensional simulations corresponding to four configurations of coastal plains and mountains are discussed. The simulations reveal that pollutant transport over a coastal plain is strongly influenced by the topographic configuration, including the height of coastal mountains and their distance from the coastline. Sea breezes induced by land-sea thermal contrasts, as well as upslope winds induced along mountain flanks, both create vertical transport that can lead to the formation of elevated pollution layers. The sea-breeze circulation generates pollution layers by undercutting the mixed layer and lofting pollutants into the stable layer. Heating of mountain slopes acts to vent pollutants above the mountain ridge during the day; during the evening, pollutants can be injected directly into the inversion layer from the decaying upslope flows. In a land-sea configuration with mountains close to the coastline, the sea breeze and heated-mountain flow are strongly coupled. In the afternoon, this interaction can produce upslope flow from which polluted air is detrained into the inversion layer as a return circulation. When the mountains lie farther inland, however, pollutants may be trapped aloft when the mixed layer stabilizes in the late afternoon. As the nocturnal boundary layer forms over the coast in the evening, polluted mixed-layer air is effectively left behind in the inversion layer. In the Los Angeles Basin, the formation mechanism for elevated

  16. A comparison of the transport properties of bilayer graphene,monolayer graphene, and two-dimensional electron gas

    Institute of Scientific and Technical Information of China (English)

    Sun Li-Feng; Dong Li-Min; Wu Zhi-Fang; Fang Chao

    2013-01-01

    we studied and compared the transport properties of charge carriers in bilayer graphene,monolayer graphene,and the conventional semiconductors (the two-dimensional electron gas (2DEG)).It is elucidated that the normal incidence transmission in the bilayer graphene is identical to that in the 2DEG but totally different from that in the monolayer graphene.However,resonant peaks appear in the non-normal incidence transmission profile for a high barrier in the bilayer graphene,which do not occur in the 2DEG.Furthermore,there are tunneling and forbidden regions in the transmission spectrum for each material,and the division of the two regions has been given in the work.The tunneling region covers a wide range of the incident energy for the two graphene systems,but only exists under specific conditions for the 2DEG.The counterparts of the transmission in the conductance profile are also given for the three materials,which may be used as high-performance devices based on the bilayer graphene.

  17. Effect of polarization roughness scattering (PRS) on two-dimensional electron transport of MgZnO/ZnO heterostructures

    Science.gov (United States)

    Wang, Ping; Guo, Lixin; Song, Zhenjie; Yang, Yintang; Shang, Tao; Li, Jing; Huang, Feng; Zheng, Qinghong

    2013-12-01

    Quantum transport properties of two-dimensional electron gas (2DEG) in undoped MgZnO/ZnO heterostructures with polarization charge effect have been investigated theoretically. Polarization roughness scattering (PRS) combining polarization charge and interface roughness scattering was proposed as a new scattering mechanism. It was found that the carriers confined in the heterostructures (HSs) would be scattered from polarization charges when they were moving along the in-plane and PRS played a very important role for the low-temperature electron mobility when the electron density Ns exceeded 1.0e11 cm-2, especially in a higher electron density region. With PRS, the experimental data on the density dependence of 2DEG mobility in the MgZnO/ZnO HSs under study can be well reproduced. The study indicates that the improved processing techniques providing a smooth interface and a good separation between the 2DEG electrons and the polarization charges should be significant for the quantum device’s performance.

  18. Exciton delocalization and transport in photosystem I of cyanobacteria Synechococcus elongates: simulation study of coherent two-dimensional optical signals.

    Science.gov (United States)

    Abramavicius, Darius; Mukamel, Shaul

    2009-04-30

    Electronic excitations and the optical properties of the photosynthetic complex PSI are analyzed using an effective exciton model developed by Vaitekonis et al. [Photosynth. Res. 2005, 86, 185]. States of the reaction center, the linker states, the highly delocalized antenna states and the red states are identified and assigned in absorption and circular dichroism spectra by taking into account the spectral distribution of density of exciton states, exciton delocalization length, and participation ratio in the reaction center. Signatures of exciton cooperative dynamics in nonchiral and chirality-induced two-dimensional (2D) photon-echo signals are identified. Nonchiral signals show resonances associated with the red, the reaction center, and the bulk antenna states as well as transport between them. Spectrally overlapping contributions of the linker and the delocalized antenna states are clearly resolved in the chirality-induced signals. Strong correlations are observed between the delocalized antenna states, the linker states, and the RC states. The active space of the complex covering the RC, the linker, and the delocalized antenna states is common to PSI complexes in bacteria and plants.

  19. Effect of phase transition on quantum transport in group-IV two-dimensional U-shape device

    Energy Technology Data Exchange (ETDEWEB)

    Sadi, Mohammad Abdullah; Gupta, Gaurav, E-mail: a0089293@nus.edu.sg; Liang, Gengchiau [Department of Electrical and Computer Engineering, National University of Singapore, Singapore 117576 (Singapore)

    2014-10-21

    The effect of phase-transition from the quantum-spin-hall to the band-insulator phase on the transport through a three-terminal U-shape spin-separator has been computationally investigated via non-equilibrium green function formalism. Two-dimensional group-IV elements have been comprehensively appraised as the device material. The device separates the unpolarized current injected at the source-terminal into nearly 100% spin-polarized currents of the opposite polarities at the two drain terminals. The phase-transition activated by the electric-field orthogonal to the device is shown to extensively influence the current magnitude and its spin-polarization, and the effect is stronger for materials with smaller intrinsic spin-orbit coupling. Moreover, the device length and the area under field are shown to critically affect the device characteristics on phase change. It is shown that the same device can be operated as a spin-filter by inducing phase-transition selectively in the channel. The results are important for designing spin-devices from Group-IV monolayers.

  20. Ab initio electronic transport study of two-dimensional silicon carbide-based p–n junctions

    Science.gov (United States)

    Zhou, Hanming; Lin, Xiao; Guo, Hongwei; Lin, Shisheng; Sun, Yiwei; Xu, Yang

    2017-03-01

    Two-dimensional silicon carbide (2d-SiC) is a viable material for next generation electronics due to its moderate, direct bandgap with huge potential. In particular, its potential for p–n junctions is yet to be explored. In this paper, three types of 2d-SiC-based p–n junctions with different doping configuration are modeled. The doping configurations refer to partially replacing carbon with boron or nitrogen atoms along the zigzag or armchair direction, respectively. By employing density functional theory, we calculate the transport properties of the SiC based p–n junctions and obtain negative differential resistance and high rectification ratio. We also find that the junction along the zigzag direction with lower doping density exhibits optimized rectification performance. Our study suggests that 2d-SiC is a promising candidate as a material platform for future nano-devices. Project supported by the National Science Foundation of China (Nos. 61474099, 61674127) and the ZJ-NSF (No. Z17F04003).

  1. Explicit formulation of a nodal transport method for discrete ordinates calculations in two-dimensional fixed-source problems

    Energy Technology Data Exchange (ETDEWEB)

    Tres, Anderson [Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil). Programa de Pos-Graduacao em Matematica Aplicada; Becker Picoloto, Camila [Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil). Programa de Pos-Graduacao em Engenharia Mecanica; Prolo Filho, Joao Francisco [Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil). Inst de Matematica, Estatistica e Fisica; Dias da Cunha, Rudnei; Basso Barichello, Liliane [Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil). Inst de Matematica

    2014-04-15

    In this work a study of two-dimensional fixed-source neutron transport problems, in Cartesian geometry, is reported. The approach reduces the complexity of the multidimensional problem using a combination of nodal schemes and the Analytical Discrete Ordinates Method (ADO). The unknown leakage terms on the boundaries that appear from the use of the derivation of the nodal scheme are incorporated to the problem source term, such as to couple the one-dimensional integrated solutions, made explicit in terms of the x and y spatial variables. The formulation leads to a considerable reduction of the order of the associated eigenvalue problems when combined with the usual symmetric quadratures, thereby providing solutions that have a higher degree of computational efficiency. Reflective-type boundary conditions are introduced to represent the domain on a simpler form than that previously considered in connection with the ADO method. Numerical results obtained with the technique are provided and compared to those present in the literature. (orig.)

  2. The Role of Interfacial Electronic Properties on Phonon Transport in Two-Dimensional MoS2 on Metal Substrates.

    Science.gov (United States)

    Yan, Zhequan; Chen, Liang; Yoon, Mina; Kumar, Satish

    2016-12-07

    We investigate the role of interfacial electronic properties on the phonon transport in two-dimensional MoS2 adsorbed on metal substrates (Au and Sc) using first-principles density functional theory and the atomistic Green's function method. Our study reveals that the different degree of orbital hybridization and electronic charge distribution between MoS2 and metal substrates play a significant role in determining the overall phonon-phonon coupling and phonon transmission. The charge transfer caused by the adsorption of MoS2 on Sc substrate can significantly weaken the Mo-S bond strength and change the phonon properties of MoS2, which result in a significant change in thermal boundary conductance (TBC) from one lattice-stacking configuration to another for same metallic substrate. In a lattice-stacking configuration of MoS2/Sc, weakening of the Mo-S bond strength due to charge redistribution results in decrease in the force constant between Mo and S atoms and substantial redistribution of phonon density of states to low-frequency region which affects overall phonon transmission leading to 60% decrease in TBC compared to another configuration of MoS2/Sc. Strong chemical coupling between MoS2 and the Sc substrate leads to a significantly (∼19 times) higher TBC than that of the weakly bound MoS2/Au system. Our findings demonstrate the inherent connection among the interfacial electronic structure, the phonon distribution, and TBC, which helps us understand the mechanism of phonon transport at the MoS2/metal interfaces. The results provide insights for the future design of MoS2-based electronics and a way of enhancing heat dissipation at the interfaces of MoS2-based nanoelectronic devices.

  3. Two-dimensional time-dependent model of the transport of minor species in the Venus night side upper atmosphere

    Science.gov (United States)

    Collet, Arnaud; Cox, Cédric; Gérard, Jean-Claude

    2010-12-01

    We present a numerical tool developed to quantify the role of processes controlling the spatio-temporal distribution of the NO ultraviolet and O2(Δg1) infrared nightglows in the Venus night side upper atmosphere, observed with the VIRTIS and SPICAV instruments on board Venus Express. This numerical tool consists in a two-dimensional chemical-transport time-dependent model which computes in a hypothetical rectangular solving domain the spatio-temporal distributions of the number densities of the four minor species at play in these two nightglow emissions. The coupled nonlinear system of the four partial differential equations, describing the spatio-temporal variations of the minor species, has been solved using a finite volume method with a forward Euler method for the time integration scheme. As an application, we have first simulated a time-constant supply of atoms through the upper boundary of the solving domain. The fluxes are inhomogeneous relative to its horizontal direction, in order to simulate regions of enhanced downward flow of oxygen and nitrogen giving rise to NO and O 2 brightening. Given that these two emissions show large time variations, we have also simulated a time-dependent downward flux of O and N atoms. It results from these simulations that the lack of correlation between the NO and O2(Δg1) nightglows largely result from to the coupling between horizontal and vertical transport processes and the very different chemical lifetimes of the two species. In particular, we have quantified the role of each process generating spatio-temporal de-correlations between the NO and O2(Δg1) nightglows.

  4. Semiclassical electron transport at the edge of a two-dimensional topological insulator: Interplay of protected and unprotected modes

    Science.gov (United States)

    Khalaf, E.; Skvortsov, M. A.; Ostrovsky, P. M.

    2016-03-01

    We study electron transport at the edge of a generic disordered two-dimensional topological insulator, where some channels are topologically protected from backscattering. Assuming the total number of channels is large, we consider the edge as a quasi-one-dimensional quantum wire and describe it in terms of a nonlinear sigma model with a topological term. Neglecting localization effects, we calculate the average distribution function of transmission probabilities as a function of the sample length. We mainly focus on the two experimentally relevant cases: a junction between two quantum Hall (QH) states with different filling factors (unitary class) and a relatively thick quantum well exhibiting quantum spin Hall (QSH) effect (symplectic class). In a QH sample, the presence of topologically protected modes leads to a strong suppression of diffusion in the other channels already at scales much shorter than the localization length. On the semiclassical level, this is accompanied by the formation of a gap in the spectrum of transmission probabilities close to unit transmission, thereby suppressing shot noise and conductance fluctuations. In the case of a QSH system, there is at most one topologically protected edge channel leading to weaker transport effects. In order to describe `topological' suppression of nearly perfect transparencies, we develop an exact mapping of the semiclassical limit of the one-dimensional sigma model onto a zero-dimensional sigma model of a different symmetry class, allowing us to identify the distribution of transmission probabilities with the average spectral density of a certain random-matrix ensemble. We extend our results to other symmetry classes with topologically protected edges in two dimensions.

  5. In situ analysis of size distribution of nano-particles in reactive plasmas using two dimensional laser light scattering method

    Science.gov (United States)

    Kamataki, K.; Morita, Y.; Shiratani, M.; Koga, K.; Uchida, G.; Itagaki, N.

    2012-04-01

    We have developed a simple in-situ method for measuring the size distribution (the mean size (mean diameter) and size dispersion) of nano-particles generated in reactive plasmas using the 2 dimensional laser light scattering (2DLLS) method. The principle of the method is based on thermal coagulation of the nano-particles, which occurs after the discharge is turned off, and the size and density of the nano-particles can then be deduced. We first determined the 2D spatial distribution of the density and size of the nano-particles in smaller particle size (a few nm) range than ones deduced from the conventional 2DLLS method. From this 2D dataset, we have for the first time been able to determine the size distribution of nano-particles generated in a reactive plasma without ex-situ measurements.

  6. An analytical approach for a nodal formulation of a two-dimensional fixed-source neutron transport problem in heterogeneous medium

    Energy Technology Data Exchange (ETDEWEB)

    Basso Barichello, Liliane; Dias da Cunha, Rudnei [Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil). Inst. de Matematica; Becker Picoloto, Camila [Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil). Programa de Pos-Graduacao em Engenharia Mecanica; Tres, Anderson [Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil). Programa de Pos-Graduacao em Matematica Aplicada

    2015-05-15

    A nodal formulation of a fixed-source two-dimensional neutron transport problem, in Cartesian geometry, defined in a heterogeneous medium, is solved by an analytical approach. Explicit expressions, in terms of the spatial variables, are derived for averaged fluxes in each region in which the domain is subdivided. The procedure is an extension of an analytical discrete ordinates method, the ADO method, for the solution of the two-dimensional homogeneous medium case. The scheme is developed from the discrete ordinates version of the two-dimensional transport equation along with the level symmetric quadrature scheme. As usual for nodal schemes, relations between the averaged fluxes and the unknown angular fluxes at the contours are introduced as auxiliary equations. Numerical results are in agreement with results available in the literature.

  7. Framework for reactive mass transport

    DEFF Research Database (Denmark)

    Jensen, Mads Mønster; Johannesson, Björn; Geiker, Mette Rica

    2014-01-01

    description is coupled to the system. The mass transport is solved by using the finite element method where the chemical equilibrium is solved explicitly by an operator splitting method. The IPHREEQC library is used as chemical equilibrium solver. The equation system, solved by IPHREEQC, is explained...... simulation, showing multi-species ingress with formation of new solid phases in the domain is described and calculated. It is shown that the numerical solution method is capable of solving the reactive mass transport system for the examples considered. (C) 2014 Elsevier B.V. All rights reserved....

  8. Two-dimensional sediment transport modeling for reservoir sediment management: Reventazón River, Costa Rica

    Science.gov (United States)

    Dubinski, I. M.

    2012-12-01

    Sedimentation is an ongoing concern for reservoirs that may be addressed using a variety of sediment management options. Sedimentation in reservoirs reduces reservoir storage and alters the sediment supply downstream. The objective of this study is to estimate the spatial and temporal distribution of deposited sediment in a proposed reservoir in the Reventazón River, Costa Rica over long-term operation (40 years) under different sediment management scenarios. The two-dimensional sediment transport model MIKE 21C by DHI is used to simulate sediment deposition for the base case (i.e., no sediment management) and assess the anticipated effectiveness of two sediment management strategies (i.e., full drawdown flushing and partial drawdown flushing). Incoming total sediment load is estimated using measured and estimated suspended sediment load combined with bed load estimated using the BAGS model with the Wilcock and Crowe (2003) equation. The base case simulation indicates that the anticipated storage loss in the absence of sediment management would amount to about 35% of the total and 33% of the active storage volume over a 40-year period. The predicted storage losses are significantly less when the performance of full drawdown flushing and partial drawdown flushing was simulated. In the case of full drawdown flushing the total anticipated storage loss is about 22%, while the loss in active storage is only 7%. In the case of partial drawdown flushing the predicted loss in total storage is 26%, while the anticipated loss in active storage is 8% after 40 years of operation. The simulations indicate that flushing is a viable and sustainable sediment management option for maintaining active storage in the proposed reservoir and passing through sediment.

  9. Contaminant transport in the sub-surface soil of an uncontrolled landfill site in China: site investigation and two-dimensional numerical analysis.

    Science.gov (United States)

    Xie, Haijian; Chen, Yunmin; Thomas, Hywel R; Sedighi, Majid; Masum, Shakil A; Ran, Qihua

    2016-02-01

    A field investigation of contaminant transport beneath and around an uncontrolled landfill site in Huainan in China is presented in this paper. The research aimed at studying the migration of some chemicals present in the landfill leachate into the surrounding clayey soils after 17 years of landfill operation. The concentrations of chloride and sodium ions in the pore water of soil samples collected at depths up to 15 m were obtained through an extensive site investigation. The contents of organic matter in the soil samples were also determined. A two-dimensional numerical study of the reactive transport of sodium and chloride ion in the soil strata beneath and outside the landfill is also presented. The numerical modelling approach adopted is based on finite element/finite difference techniques. The domain size of approximately 300 × 30 m has been analysed and major chemical transport parameters/mechanisms are established via a series of calibration exercises. Numerical simulations were then performed to predict the long-term behaviour of the landfill in relation to the chemicals studied. The lateral migration distance of the chloride ions was more than 40 m which indicates that the advection and mechanical dispersion are the dominant mechanism controlling the contaminant transport at this site. The results obtained from the analysis of chloride and sodium migration also indicated a non-uniform advective flow regime of ions with depth, which were localised in the first few metres of the soil beneath the disposal site. The results of long-term simulations of contaminant transport indicated that the concentrations of ions can be 10 to 30 times larger than that related to the allowable limit of concentration values. The results of this study may be of application and interest in the assessment of potential groundwater and soil contamination at this site with a late Pleistocene clayey soil. The obtained transport properties of the soils and the contaminant transport

  10. The role of lipids and salts in two-dimensional crystallization of the glycine-betaine transporter BetP from Corynebacterium glutamicum

    DEFF Research Database (Denmark)

    Tsai, Ching-Ju; Ejsing, Christer S.; Shevchenko, Andrej;

    2007-01-01

    The osmoregulated and chill-sensitive glycine-betaine transporter (BetP) from Corynebacterium glutamicum was reconstituted into lipids to form two-dimensional (2D) crystals. The sensitivity of BetP partly bases on its interaction with lipids. Here we demonstrate that lipids and salts influence...

  11. Modeling reactive flow and transport in natural systems

    Energy Technology Data Exchange (ETDEWEB)

    Lichtner, P.C. [Center for Nuclear Waste Regulatory Analyses, S.Antonio, TX (United States)

    1998-12-31

    A general formulation of reactive transport equations in a porous medium has been presented including homogeneous reactions of aqueous species, heterogenous reactions of minerals, and microbiological processes. The canonical form of chemical reactions was introduced and the transformation between primary or basis species derived. The use of parallel linearly-dependent reactions was discussed for incorporating different reaction rate mechanisms. It was demonstrated how the electron may be used in reactive transport equations with redox reactions formulated in terms of half-cell reactions. A single component system was investigated for both a one-dimensional porous medium and a two-dimensional geometry incorporating fracture-matrix interaction. Finally two multicomponent examples were considered using the computer code MULTIFLO of in situ leaching of copper ore and acid mine drainage.

  12. Similarity between the superconductivity in the graphene with the spin transport in the two-dimensional antiferromagnet in the honeycomb lattice

    Science.gov (United States)

    Lima, L. S.

    2017-02-01

    We have used the Dirac's massless quasi-particles together with the Kubo's formula to study the spin transport by electrons in the graphene monolayer. We have calculated the electric conductivity and verified the behavior of the AC and DC currents of this system, that is a relativistic electron plasma. Our results show that the AC conductivity tends to infinity in the limit ω → 0 , similar to the behavior obtained for the spin transport in the two-dimensional frustrated antiferromagnet in the honeycomb lattice. We have made a diagrammatic expansion for the Green's function and we have not gotten significative change in the results.

  13. Two-dimensional MoTe2 materials: From synthesis, identification, and charge transport to electronics applications

    Science.gov (United States)

    Chang, Yuan-Ming; Lin, Che-Yi; Lin, Yen-Fu; Tsukagoshi, Kazuhito

    2016-11-01

    We present a review of recent developments in the synthesis, thickness identification, electronic properties, and possible applications of layered MoTe2 flakes. Special emphasis is made on two-dimensional (2D) MoTe2 semiconductors and the extensive research in recent years on their applications in electronics. Layered MoTe2 flakes have been the focus of substantial interest in the research community because of their fascinating characteristics, including an appropriate band gap and a simple fabrication method (exfoliation) to form layered nanomaterials. Our aim is to provide the readers an overview of layered MoTe2 flakes and to understand their properties, which may lead to their applications in micro- and nanoelectronics.

  14. Coupled One and Two Dimensional Model for River Network Flow and Sediment Transport%一二维耦合河网水沙模型研究

    Institute of Scientific and Technical Information of China (English)

    吕文丽; 张旭

    2011-01-01

    Based on previous research, a new one and two-dimensional coupled model of river water and sediment was proposed.With reference to the three-level solution for one-dimensional river network water mode, the two-dimensional river section will be generalized to river section within the river network.One and two dimensional coupled river network sediment model will be established with the balance of flow amount and sediment transport.The model sets up the chasing relationship between variables of water level and sediment content at the end and first section to further establish matrix equations of the whole one and two-dimensional river network node water level and sediment content.Though the verification and calculation for generalized river network from Datong to Zhenjiang in the lower reaches of the Yangtze River, it is found that the model is of great practical value.%借鉴河网水流的三级解法,将二维河段概化为河网内部河段,通过河网节点流量和输沙量的平衡,建立一二维耦合河网水沙模型.模型采用全隐式方法建立二维河段以首末断面的水位和含沙量为中间变量的矩阵追赶关系,进而建立整个一二维河网的节点水位及含沙量的矩阵方程组.对方程组的求解,可实现一二维水沙模型的耦合求解.通过对长江下游大通至镇江概化河网的验证计算,表明模型具有很好的实用价值.

  15. A depth-averaged two-dimensional sediment transport model for environmental studies in the Scheldt Estuary and tidal river network

    Science.gov (United States)

    Gourgue, O.; Baeyens, W.; Chen, M. S.; de Brauwere, A.; de Brye, B.; Deleersnijder, E.; Elskens, M.; Legat, V.

    2013-12-01

    This paper presents the sediment module designed for the two-dimensional depth-averaged and one-dimensional section-averaged components of the finite-element model SLIM (Second-generation Louvain-la-Neuve Ice-ocean Model) in the framework of its application to the tidal part of the Scheldt Basin. This sediment transport module focuses on fine-grained, cohesive sediments. It is a necessary tool to undertake environmental biogeochemical studies, in which fine sediment dynamics play a crucial role.

  16. Sediment transport, light and algal growth in the Markermeer : a two-dimensional water quality model for a shallow lake

    NARCIS (Netherlands)

    Duin, van E.H.S.

    1992-01-01

    This thesis reports on a study of the water quality in the Markermeer, focusing on the relationships between sediment transport, the light field and the growth of Oscillatoria agardhii . The study comprises two aspects: an extensive data collection program with the data

  17. Transport properties of the two-dimensional electron gas in GaN/AlGaN heterostructures grown by ammonia molecular-beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Pogosov, A.G.; Budantsev, M.V.; Lavrov, R.A.; Mansurov, V.G.; Nikitin, A.Yu.; Preobrazhenskii, V.V.; Zhuravlev, K.S. [Institute of Semiconductor Physics, 13 Lavrentiev Avenue, 630090 Novosibirsk (Russian Federation)

    2006-07-15

    Transport properties of the two-dimensional electron gas in AlGaN/GaN heterostructures grown by ammonia molecular-beam epitaxy are experimentally investigated. Conventional Hall and Shubnikov-de Haas measurements as well as investigations of quantum transport phenomena are reported. It is found that negative magnetoresistance (NMR) caused by weak localization demonstrates an unusual behavior at low temperature (1.8 K). The observed NMR cannot be described by the ordinary theory of quantum corrections to conductivity based on a single phase breaking time {tau}{sub {phi}}. The anomalous NMR behavior can be explained by the presence of two occupied quantum subbands, characterized by their own phase breaking times {tau} {sub {phi}} {sub 1} and {tau} {sub {phi}} {sub 2}. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. Reactive transport codes for subsurface environmental simulation

    NARCIS (Netherlands)

    Steefel, C.I.; Appelo, C.A.J.; Arora, B.; Kalbacher, D.; Kolditz, O.; Lagneau, V.; Lichtner, P.C.; Mayer, K.U.; Meeussen, J.C.L.; Molins, S.; Moulton, D.; Shao, D.; Simunek, J.; Spycher, N.; Yabusaki, S.B.; Yeh, G.T.

    2015-01-01

    A general description of the mathematical and numerical formulations used in modern numerical reactive transport codes relevant for subsurface environmental simulations is presented. The formulations are followed by short descriptions of commonly used and available subsurface simulators that conside

  19. MOFAT: A two-dimensional finite-element program for multiphase flow and multicomponent transport. Program documentation and user's guide

    Energy Technology Data Exchange (ETDEWEB)

    Katyal, A.K.; Kaluarachchi, J.J.; Parker, J.C.

    1991-05-01

    The manual describes a two-dimensional finite element model for coupled multiphase flow and multicomponent transport in planar or radially symmetric vertical sections. Flow and transport of three fluid phases, including water, nonaqueous phase liquid (NAPL), and gas are considered by the program. The program can simulate flow only or coupled flow and transport. The flow module can be used to analyze two phases, water and NAPL, with the gas phase held at constant pressure, or explicit three-phase flow of water, NAPL, and gas at various pressures. The transport module can handle up to five components which partition among water, NAPL, gas and solid phases assuming either local equilibrium or first-order mass transfer. Three phase permeability-saturation-capillary pressure relations are defined by an extension of the van Genuchten model. The governing equations are solved using an efficient upstream-weighted finite element scheme. The report describes the required inputs for flow analysis and transport analysis. Time dependent boundary conditions for flow and transport analysis can be handled by the program and are described in the report. Detailed instructions for creating data files needed to run the program and example input and output files are given in appendices.

  20. Two-dimensional coupled mathematical modeling of fluvial processes with intense sediment transport and rapid bed evolution

    Institute of Scientific and Technical Information of China (English)

    YUE ZhiYuan; CAO ZhiXian; LI Xin; CHE Tao

    2008-01-01

    Alluvial rivers may experience intense sediment transport and rapid bed evolution under a high flow regime, for which traditional decoupled mathematical river mod-els based on simplified conservation equations are not applicable. A two-dimen-sional coupled mathematical model is presented, which is generally applicable to the fluvial processes with either intense or weak sediment transport. The governing equations of the model comprise the complete shallow water hydrodynamic equa-tions closed with Manning roughness for boundary resistance and empirical rela-tionships for sediment exchange with the erodible bed. The second-order Total-Variation-Diminishing version of the Weighted-Average-Flux method, along with the HLLC approximate Riemann Solver, is adapted to solve the governing equations, which can properly resolve shock waves and contact discontinuities. The model is applied to the pilot study of the flooding due to a sudden outburst of a real glacial-lake.

  1. Molecular reorganization in organic field-effect transistors and its effect on two-dimensional charge transport pathways.

    Science.gov (United States)

    Liscio, Fabiola; Albonetti, Cristiano; Broch, Katharina; Shehu, Arian; Quiroga, Santiago David; Ferlauto, Laura; Frank, Christian; Kowarik, Stefan; Nervo, Roberto; Gerlach, Alexander; Milita, Silvia; Schreiber, Frank; Biscarini, Fabio

    2013-02-26

    Charge transport in organic thin film transistors takes place in the first few molecular layers in contact with the gate dielectric. Here we demonstrate that the charge transport pathways in these devices are extremely sensitive to the orientational defects of the first monolayers, which arise from specific growth conditions. Although these defects partially heal during the growth, they cause depletion of charge carriers in the first monolayer, and drive the current to flow in the monolayers above the first one. Moreover, the residual defects induce lower crystalline order and charge mobility. These results, which are not intuitively explained by electrostatics arguments, have been obtained by combining in situ real time structural and electrical characterization together with ex situ AFM measurements, on thin films of a relevant n-type organic semiconductor, N,N'-bis(n-octyl)-dicyanoperylene-3,4:9,10-bis dicarboximide grown by sublimation in a quasi-layer-by-layer mode at different substrate temperatures.

  2. Two-dimensional coupled mathematical modeling of fluvial processes with intense sediment transport and rapid bed evolution

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Alluvial rivers may experience intense sediment transport and rapid bed evolution under a high flow regime,for which traditional decoupled mathematical river mod-els based on simplified conservation equations are not applicable. A two-dimen-sional coupled mathematical model is presented,which is generally applicable to the fluvial processes with either intense or weak sediment transport. The governing equations of the model comprise the complete shallow water hydrodynamic equa-tions closed with Manning roughness for boundary resistance and empirical rela-tionships for sediment exchange with the erodible bed. The second-order Total-Variation-Diminishing version of the Weighted-Average-Flux method,along with the HLLC approximate Riemann Solver,is adapted to solve the governing equations,which can properly resolve shock waves and contact discontinuities. The model is applied to the pilot study of the flooding due to a sudden outburst of a real glacial-lake.

  3. Two-Dimensional Hydrodynamic Core-Collapse Supernova Simulations with Spectral Neutrino Transport II. Models for Different Progenitor Stars

    CERN Document Server

    Buras, R; Rampp, M; Kifonidis, K

    2005-01-01

    1D and 2D supernova simulations for stars between 11 and 25 solar masses are presented, making use of the Prometheus/Vertex neutrino-hydrodynamics code, which employs a full spectral treatment of the neutrino transport. Multi-dimensional transport aspects are treated by the ``ray-by-ray plus'' approximation described in Paper I. Our set of models includes a 2D calculation for a 15 solar mass star whose iron core is assumed to rotate rigidly with an angular frequency of 0.5 rad/s before collapse. No important differences were found depending on whether random seed perturbations for triggering convection are included already during core collapse, or whether they are imposed on a 1D collapse model shortly after bounce. Convection below the neutrinosphere sets in about 40 ms p.b. at a density above 10**12 g/cm^3 in all 2D models, and encompasses a layer of growing mass as time goes on. It leads to a more extended proto-neutron star structure with accelerated lepton number and energy loss and significantly higher ...

  4. Spin dynamics, electronic, and thermal transport properties of two-dimensional CrPS{sub 4} single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Pei, Q. L.; Luo, X., E-mail: xluo@issp.ac.cn, E-mail: ypsun@issp.ac.cn; Lin, G. T.; Song, J. Y.; Hu, L.; Song, W. H.; Lu, W. J. [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); Zou, Y. M.; Yu, L.; Tong, W. [High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230031 (China); Sun, Y. P., E-mail: xluo@issp.ac.cn, E-mail: ypsun@issp.ac.cn [High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230031 (China); Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093 (China)

    2016-01-28

    2-Dimensional (2D) CrPS{sub 4} single crystals have been grown by the chemical vapor transport method. The crystallographic, magnetic, electronic, and thermal transport properties of the single crystals were investigated by the room-temperature X-ray diffraction, electrical resistivity ρ(T), specific heat C{sub P}(T), and the electronic spin response (ESR) measurements. CrPS{sub 4} crystals crystallize into a monoclinic structure. The electrical resistivity ρ(T) shows a semiconducting behavior with an energy gap E{sub a} = 0.166 eV. The antiferromagnetic transition temperature is about T{sub N} = 36 K. The spin flipping induced by the applied magnetic field is observed along the c axis. The magnetic phase diagram of CrPS{sub 4} single crystal has been discussed. The extracted magnetic entropy at T{sub N} is about 10.8 J/mol K, which is consistent with the theoretical value R ln(2S + 1) for S = 3/2 of the Cr{sup 3+} ion. Based on the mean-field theory, the magnetic exchange constants J{sub 1} and J{sub c} corresponding to the interactions of the intralayer and between layers are about 0.143 meV and −0.955 meV are obtained based on the fitting of the susceptibility above T{sub N}, which agree with the results obtained from the ESR measurements. With the help of the strain for tuning the magnetic properties, monolayer CrPS{sub 4} may be a promising candidate to explore 2D magnetic semiconductors.

  5. Impact of mineralogical heterogeneity on reactive transport modelling

    Science.gov (United States)

    Liu, Min; Shabaninejad, Mehdi; Mostaghimi, Peyman

    2017-07-01

    Impact of mineralogical heterogeneity of rocks in reactive modelling is investigated by applying a pore scale model based on the Lattice Boltzmann and Finite Volume Methods. Mass transport, chemical reaction and solid structure modification are included in the model. A two-dimensional mineral map of a sandstone rock is acquired using the imaging technique of QEMSCAN SEM with Energy-Dispersive X-ray Spectroscopy (EDS). The mineralogical heterogeneity is explored by conducting multi-mineral reaction simulations on images containing various minerals. The results are then compared with the prediction of single mineral dissolution modelling. Dissolution patterns and permeability variations of multi-mineral and single mineral reactions are presented. The errors of single mineral reaction modelling are also estimated. Numerical results show that mineralogical heterogeneity can cause significant errors in permeability prediction, if a uniform mineral distribution is assumed. The errors are smaller in high Péclet regimes than in low Péclet regimes in this sample.

  6. Soliton assisted control of source to drain electron transport along natural channels - crystallographic axes - in two-dimensional triangular crystal lattices

    Science.gov (United States)

    Chetverikov, A. P.; Ebeling, W.; Velarde, M. G.

    2016-09-01

    We present computational evidence of the possibility of fast, supersonic or subsonic, nearly loss-free ballistic-like transport of electrons bound to lattice solitons (a form of electron surfing on acoustic waves) along crystallographic axes in two-dimensional anharmonic crystal lattices. First we study the structural changes a soliton creates in the lattice and the time lapse of recovery of the lattice. Then we study the behavior of one electron in the polarization field of one and two solitons with crossing pathways with suitably monitored delay. We show how an electron surfing on a lattice soliton may switch to surf on the second soliton and hence changing accordingly the direction of its path. Finally we discuss the possibility to control the way an excess electron proceeds from a source at a border of the lattice to a selected drain at another border by following appropriate straight pathways on crystallographic axes.

  7. Numerical study of the effect of disorder and magnetic field on the quantum transport of two-dimensional nanostructures modeled by tight-binding approximation

    Directory of Open Access Journals (Sweden)

    E Taghizdehsiskht

    2013-09-01

    Full Text Available  In recent years, semiconductor nanostructures have become the model systems of choice for investigation of electrical conduction on short length scales. Quantum transport is studied in a two dimensional electron gas because of the combination of a large Fermi wavelength and large mean free path. In the present work, a numerical method is implemented in order to contribute to the understanding of quantum transport in narrow channels in different conditions of disorder and magnetic fields. We have used an approach that has proved to be very useful in describing mesoscopic transport. We have assumed zero temperature and phase coherent transport. By using the trick that a conductor connected to infinite leads can be replaced by a finite conductor with the effect of the leads incorporated through a 'self-energy' function, a convenient method was provided for evaluating the Green's function of the whole device numerically. Then, Fisher-Lee relations was used for calculating the transmission coefficients through coherent mesoscopic conductors. Our calculations were done in a model system with Hard-wall boundary conditions in the transverse direction, and the Anderson model of disorder was used in disordered samples. We have presented the results of quantum transport for different strengths of disorder and introduced magnetic fields. Our results confirmed the Landauer formalism for calculation of electronic transport. We observed that weak localization effect can be removed by application of a weak perpendicular magnetic field. Finally, we numerically showed the transition to the integral quantum Hall effect regime through the suppression of backscattering on a disordered model system by calculating the two­ terminal conductance of a quasi-one-dimensional quantum conductor as a strong magnetic field is applied. Our results showed that this regime is entered when there is a negligible overlap between electron edge states localized at opposite sides of

  8. OS3D/GIMRT software for modeling multicomponent-multidimensional reactive transport

    Energy Technology Data Exchange (ETDEWEB)

    CI Steefel; SB Yabusaki

    2000-05-17

    OS3D/GIMRT is a numerical software package for simulating multicomponent reactive transport in porous media. The package consists of two principal components: (1) the code OS3D (Operator Splitting 3-Dimensional Reactive Transport) which simulates reactive transport by either splitting the reaction and transport steps in time, i.e., the classic time or operator splitting approach, or by iterating sequentially between reactions and transport, and (2) the code GIMRT (Global Implicit Multicomponent Reactive Transport) which treats up to two dimensional reactive transport with a one step or global implicit approach. Although the two codes do not yet have totally identical capabilities, they can be run from the same input file, allowing comparisons to be made between the two approaches in many cases. The advantages and disadvantages of the two approaches are discussed more fully below, but in general OS3D is designed for simulation of transient concentration fronts, particularly under high Peclet number transport conditions, because of its use of a total variation diminishing or TVD transport algorithm. GIMRT is suited for simulating water-rock alteration over long periods of time where the aqueous concentration field is at or close to a quasi-stationary state and the numerical transport errors are less important. Where water-rock interaction occurs over geological periods of time, GIMRT may be preferable to OS3D because of its ability to take larger time steps.

  9. Predictive DFT-based approaches to charge and spin transport in single-molecule junctions and two-dimensional materials: successes and challenges.

    Science.gov (United States)

    Quek, Su Ying; Khoo, Khoong Hong

    2014-11-18

    CONSPECTUS: The emerging field of flexible electronics based on organics and two-dimensional (2D) materials relies on a fundamental understanding of charge and spin transport at the molecular and nanoscale. It is desirable to make predictions and shine light on unexplained experimental phenomena independently of experimentally derived parameters. Indeed, density functional theory (DFT), the workhorse of first-principles approaches, has been used extensively to model charge/spin transport at the nanoscale. However, DFT is essentially a ground state theory that simply guarantees correct total energies given the correct charge density, while charge/spin transport is a nonequilibrium phenomenon involving the scattering of quasiparticles. In this Account, we critically assess the validity and applicability of DFT to predict charge/spin transport at the nanoscale. We also describe a DFT-based approach, DFT+Σ, which incorporates corrections to Kohn-Sham energy levels based on many-electron calculations. We focus on single-molecule junctions and then discuss how the important considerations for DFT descriptions of transport can differ in 2D materials. We conclude that when used appropriately, DFT and DFT-based approaches can play an important role in making predictions and gaining insight into transport in these materials. Specifically, we shall focus on the low-bias quasi-equilibrium regime, which is also experimentally most relevant for single-molecule junctions. The next question is how well can the scattering of DFT Kohn-Sham particles approximate the scattering of true quasiparticles in the junction? Quasiparticles are electrons (holes) that are surrounded by a constantly changing cloud of holes (electrons), but Kohn-Sham particles have no physical significance. However, Kohn-Sham particles can often be used as a qualitative approximation to quasiparticles. The errors in standard DFT descriptions of transport arise primarily from errors in the Kohn-Sham energy levels

  10. Two-dimensional calculus

    CERN Document Server

    Osserman, Robert

    2011-01-01

    The basic component of several-variable calculus, two-dimensional calculus is vital to mastery of the broader field. This extensive treatment of the subject offers the advantage of a thorough integration of linear algebra and materials, which aids readers in the development of geometric intuition. An introductory chapter presents background information on vectors in the plane, plane curves, and functions of two variables. Subsequent chapters address differentiation, transformations, and integration. Each chapter concludes with problem sets, and answers to selected exercises appear at the end o

  11. Two dimensional vernier

    Science.gov (United States)

    Juday, Richard D. (Inventor)

    1992-01-01

    A two-dimensional vernier scale is disclosed utilizing a cartesian grid on one plate member with a polar grid on an overlying transparent plate member. The polar grid has multiple concentric circles at a fractional spacing of the spacing of the cartesian grid lines. By locating the center of the polar grid on a location on the cartesian grid, interpolation can be made of both the X and Y fractional relationship to the cartesian grid by noting which circles coincide with a cartesian grid line for the X and Y direction.

  12. Two-dimensional tracer transport: Derivation of residual mean circulation and eddy transport tensor from a 3-D model data set

    Science.gov (United States)

    Pitari, Giovanni; Visconti, Guido

    1985-08-01

    Two-dimensional distributions for long-lived species, N2O, CFCl3, and CF2Cl2, have been calculated by using a 2-D model extending from the ground to 70 km. The model utilizes a residual mean meridional circulation and a set of eddy diffusion coefficients. Both these fields have been obtained from the output of the MIT-GIT three-dimensional general circulation model of the stratosphere. The calculation of the residual mean circulation takes into account consistent fields of temperature and diabatic heating, meridional temperature advection, and vertical eddy fluxes. The diffusion tensor is obtained following Holton (1981) and utilizes the eddy field that is an output of the 3-D model. The chemical source term is treated by introducing an additional tensor, following the suggestion by Tung (1982). This approach has the advantage of using the same matrix for all the chemical compounds. Values obtained for the residual mean meridional mass flux are in good agreement with similar results. The trace gas distributions obtained show a fairly good agreement in the equatorial regions but overpredict the concentration in the mid-latitude stratosphere. This is a common modeling problem, especially with fluorocarbons, and is attributed, in our case, to values of the Kyy and Kzz components that are too large in the lower stratosphere. This particular result is probably due to the heating parameterization adopted in the original general circulation model.

  13. Benchmarking reactive transport models at a hillslope scale

    Science.gov (United States)

    Kalbacher, T.; He, W.; Nixdorf, E.; Jang, E.; Fleckenstein, J. H.; Kolditz, O.

    2015-12-01

    The hillslope scale is an important transition between the field scale and the catchment scale. The water flow in the unsaturated zone of a hillslope can be highly dynamic, which can lead to dynamic changes of groundwater flow or stream outflow. Additionally, interactions among host rock formation, soil properties and recharge water from precipitation or anthropogenic activities (mining, agriculture etc.) can influence the water quality of groundwater and stream in the long term. To simulate reactive transport processes at such a scale is a challenging task. On the one hand, simulation of water flow in a coupled soil-aquifer system often involves solving of highly non-linear PDEs such as Richards equation; on the other hand, one has to consider complicated biogeochemical reactions (e.g. water-rock interactions, biological degradation, redox reactions). Both aspects are computationally expensive and have high requirements on the numerical precision and stabilities of the employed code. The primary goals of this study are as follows: i) Identify the bottlenecks and quantitatively analyse their influence on simulation of biogeochemical reactions at a hillslope scale; ii) find or suggest practical strategies to deal with these bottlenecks, thus to provide detailed hints for future improvements of reactive transport simulators. To achieve these goals, the parallelized reactive transport simulator OGS#IPhreeqc has been applied to simulate two benchmark examples. The first example is about uranium leaching based on Šimůnek et al. (2012), which considers the leaching of uranium from a mill tailing and accompanied mineral dissolution/precipitation. The geochemical system is then extended to include redox reactions in the second example. Based on these examples, the numerical stability and parallel performance of the tool is analysed. ReferenceŠimůnek, J., Jacques, D., Šejna, M., van Genuchten, M. T.: The HP2 program for HYDRUS (2D/3D), A coupled code for simulating two-dimensional

  14. Two-dimensional optical spectroscopy

    CERN Document Server

    Cho, Minhaeng

    2009-01-01

    Discusses the principles and applications of two-dimensional vibrational and optical spectroscopy techniques. This book provides an account of basic theory required for an understanding of two-dimensional vibrational and electronic spectroscopy.

  15. Filtered density function approach for reactive transport in groundwater

    Science.gov (United States)

    Suciu, Nicolae; Schüler, Lennart; Attinger, Sabine; Knabner, Peter

    2016-04-01

    . Randomness is induced by the stochastic parameterization of the hydraulic conductivity, characterized by short range correlations and small variance. The objective is to infer the statistics of the random concentration sampled at the plume center of mass, integrated over the transverse dimension of a two-dimensional spatial domain. The FDF problem is therefore formulated in a two-dimensional domain as well, one spatial dimension and one in the concentration space. Upscaled drift and diffusion coefficients describing the transport of the FDF in the physical space are estimated on single-trajectories of diffusion in velocity fields with short-range correlations, owing to their self-averaging property. The mixing coefficients describing the transport in concentration spaces are parameterized by the trend and the noise inferred from the statistical analysis of an ensemble of simulated concentration time series, as well as by the classical "interaction by exchange of the mean" (IEM) mixing model. A Gaussian spatial filter applied to a Kraichnan velocity field generator is used to construct CGS-FDF simulations. We obtain highly accurate solutions for the mean concentration. At moderately large times, we find that the cumulative distribution function converges to the reference Monte Carlo solution. Instead, the FDF itself agrees with the Monte Carlo results only at small times. The analysis of the CGS-FDF simulations indicates that an IEM mixing model with variable characteristic time parameter could improve the FDF results.

  16. Reactive Chemical Transport Under Multiphase System

    Science.gov (United States)

    Fang, Y.; Yeh, G.

    2001-12-01

    A numerical model, HYDROBIOGEOCHEM, is developed for modeling reactive chemical transport under multiphase flow systems. The chemistry part of this model is derived from BIOGEOCHEM, which is a general computer code that simulates biogeochemial processes from a reaction-based mechanistic point of view. To reduce primary dependent variables (PDVs), Gauss-Jordan decomposition is applied to the governing matrix equations for transport, resulting in mobile components and mobile kinetic variables as PDVs. Options of sequential iteration approach (SIA), predictor corrector and operator splitting method are incorporated in the code to make it versatile. The model is a practical tool for assessing migration of subsurface contamination and proper designing of remediation technologies. Examples are presented to demonstrate the capability of the new model.

  17. A Uranium Bioremediation Reactive Transport Benchmark

    Energy Technology Data Exchange (ETDEWEB)

    Yabusaki, Steven B.; Sengor, Sevinc; Fang, Yilin

    2015-06-01

    A reactive transport benchmark problem set has been developed based on in situ uranium bio-immobilization experiments that have been performed at a former uranium mill tailings site in Rifle, Colorado, USA. Acetate-amended groundwater stimulates indigenous microorganisms to catalyze the reduction of U(VI) to a sparingly soluble U(IV) mineral. The interplay between the flow, acetate loading periods and rates, microbially-mediated and geochemical reactions leads to dynamic behavior in metal- and sulfate-reducing bacteria, pH, alkalinity, and reactive mineral surfaces. The benchmark is based on an 8.5 m long one-dimensional model domain with constant saturated flow and uniform porosity. The 159-day simulation introduces acetate and bromide through the upgradient boundary in 14-day and 85-day pulses separated by a 10 day interruption. Acetate loading is tripled during the second pulse, which is followed by a 50 day recovery period. Terminal electron accepting processes for goethite, phyllosilicate Fe(III), U(VI), and sulfate are modeled using Monod-type rate laws. Major ion geochemistry modeled includes mineral reactions, as well as aqueous and surface complexation reactions for UO2++, Fe++, and H+. In addition to the dynamics imparted by the transport of the acetate pulses, U(VI) behavior involves the interplay between bioreduction, which is dependent on acetate availability, and speciation-controlled surface complexation, which is dependent on pH, alkalinity and available surface complexation sites. The general difficulty of this benchmark is the large number of reactions (74), multiple rate law formulations, a multisite uranium surface complexation model, and the strong interdependency and sensitivity of the reaction processes. Results are presented for three simulators: HYDROGEOCHEM, PHT3D, and PHREEQC.

  18. Reactive transport benchmarks for subsurface environmental simulation

    Energy Technology Data Exchange (ETDEWEB)

    Steefel, Carl I.; Yabusaki, Steven B.; Mayer, K. U.

    2015-06-01

    Over the last 20 years, we have seen firsthand the evolution of multicomponent reactive transport modeling and the expanding range and increasing complexity of subsurface applications it is being used to address. There is a growing reliance on reactive transport modeling (RTM) to address some of the most compelling issues facing our planet: climate change, nuclear waste management, contaminant remediation, and pollution prevention. While these issues are motivating the development of new and improved capabilities for subsurface environmental modeling using RTM (e.g., biogeochemistry from cell-scale physiology to continental-scale terrestrial ecosystems, nonisothermal multiphase conditions, coupled geomechanics), there remain longstanding challenges in characterizing the natural variability of hydrological, biological, and geochemical properties in subsurface environments and limited success in transferring models between sites and across scales. An equally important trend over the last 20 years is the evolution of modeling from a service sought out after data has been collected to a multifaceted research approach that provides (1) an organizing principle for characterization and monitoring activities; (2) a systematic framework for identifying knowledge gaps, developing and integrating new knowledge; and (3) a mechanistic understanding that represents the collective wisdom of the participating scientists and engineers. There are now large multidisciplinary projects where the research approach is model-driven, and the principal product is a holistic predictive simulation capability that can be used as a test bed for alternative conceptualizations of processes, properties, and conditions. Much of the future growth and expanded role for RTM will depend on its continued ability to exploit technological advancements in the earth and environmental sciences. Advances in measurement technology, particularly in molecular biology (genomics), isotope fractionation, and high

  19. Quantum transport in two dimensional electron gas/p-wave superconductor junction with Rashba spin–orbit coupling at the interface and in the normal layer

    Energy Technology Data Exchange (ETDEWEB)

    Mohammadkhani, R., E-mail: rmkhani@znu.ac.ir; Hassanloo, Gh.

    2014-11-01

    We have studied the tunneling conductance of a clean two dimensional electron gas/p- wave superconductor junction with Rashba spin–orbit coupling (RSOC) which is present in the normal layer and at the interface. Using the extended Blonder–Tinkham–Klapwijk formalism we have found that the subgap conductance peaks are shifted to a nonzero bias by RSOC at the interface which are the same as Ref. [1]. It is shown that for low insulating barrier and in the absence of the interface RSOC, the tunneling conductance decreases within energy gap with increasing of the RSOC in the normal layer while for high insulating barrier it enhances by increase of the RSOC. We have also shown that the RSOC inside the normal cannot affect the location of the subgap conductance peaks shifted by the interface RSOC.

  20. Exposure-time based modeling of nonlinear reactive transport in porous media subject to physical and geochemical heterogeneity

    Science.gov (United States)

    Sanz-Prat, Alicia; Lu, Chuanhe; Amos, Richard T.; Finkel, Michael; Blowes, David W.; Cirpka, Olaf A.

    2016-09-01

    Transport of reactive solutes in groundwater is affected by physical and chemical heterogeneity of the porous medium, leading to complex spatio-temporal patterns of concentrations and reaction rates. For certain cases of bioreactive transport, it could be shown that the concentrations of reactive constituents in multi-dimensional domains are approximately aligned with isochrones, that is, lines of identical travel time, provided that the chemical properties of the matrix are uniform. We extend this concept to combined physical and chemical heterogeneity by additionally considering the time that a water parcel has been exposed to reactive materials, the so-called exposure time. We simulate bioreactive transport in a one-dimensional domain as function of time and exposure time, rather than space. Subsequently, we map the concentrations to multi-dimensional heterogeneous domains by means of the mean exposure time at each location in the multi-dimensional domain. Differences in travel and exposure time at a given location are accounted for as time difference. This approximation simplifies reactive-transport simulations significantly under conditions of steady-state flow when reactions are restricted to specific locations. It is not expected to be exact in realistic applications because the underlying assumption, such as neglecting transverse mixing altogether, may not hold. We quantify the error introduced by the approximation for the hypothetical case of a two-dimensional, binary aquifer made of highly-permeable, non-reactive and low-permeable, reactive materials releasing dissolved organic matter acting as electron donor for aerobic respiration and denitrification. The kinetically controlled reactions are catalyzed by two non-competitive bacteria populations, enabling microbial growth. Even though the initial biomass concentrations were uniform, the interplay between transport, non-uniform electron-donor supply, and bio-reactions led to distinct spatial patterns of

  1. Exposure-time based modeling of nonlinear reactive transport in porous media subject to physical and geochemical heterogeneity.

    Science.gov (United States)

    Sanz-Prat, Alicia; Lu, Chuanhe; Amos, Richard T; Finkel, Michael; Blowes, David W; Cirpka, Olaf A

    2016-09-01

    Transport of reactive solutes in groundwater is affected by physical and chemical heterogeneity of the porous medium, leading to complex spatio-temporal patterns of concentrations and reaction rates. For certain cases of bioreactive transport, it could be shown that the concentrations of reactive constituents in multi-dimensional domains are approximately aligned with isochrones, that is, lines of identical travel time, provided that the chemical properties of the matrix are uniform. We extend this concept to combined physical and chemical heterogeneity by additionally considering the time that a water parcel has been exposed to reactive materials, the so-called exposure time. We simulate bioreactive transport in a one-dimensional domain as function of time and exposure time, rather than space. Subsequently, we map the concentrations to multi-dimensional heterogeneous domains by means of the mean exposure time at each location in the multi-dimensional domain. Differences in travel and exposure time at a given location are accounted for as time difference. This approximation simplifies reactive-transport simulations significantly under conditions of steady-state flow when reactions are restricted to specific locations. It is not expected to be exact in realistic applications because the underlying assumption, such as neglecting transverse mixing altogether, may not hold. We quantify the error introduced by the approximation for the hypothetical case of a two-dimensional, binary aquifer made of highly-permeable, non-reactive and low-permeable, reactive materials releasing dissolved organic matter acting as electron donor for aerobic respiration and denitrification. The kinetically controlled reactions are catalyzed by two non-competitive bacteria populations, enabling microbial growth. Even though the initial biomass concentrations were uniform, the interplay between transport, non-uniform electron-donor supply, and bio-reactions led to distinct spatial patterns of

  2. Modeling variably saturated multispecies reactive groundwater solute transport with MODFLOW-UZF and RT3D

    Science.gov (United States)

    Bailey, Ryan T.; Morway, Eric D.; Niswonger, Richard G.; Gates, Timothy K.

    2013-01-01

    A numerical model was developed that is capable of simulating multispecies reactive solute transport in variably saturated porous media. This model consists of a modified version of the reactive transport model RT3D (Reactive Transport in 3 Dimensions) that is linked to the Unsaturated-Zone Flow (UZF1) package and MODFLOW. Referred to as UZF-RT3D, the model is tested against published analytical benchmarks as well as other published contaminant transport models, including HYDRUS-1D, VS2DT, and SUTRA, and the coupled flow and transport modeling system of CATHY and TRAN3D. Comparisons in one-dimensional, two-dimensional, and three-dimensional variably saturated systems are explored. While several test cases are included to verify the correct implementation of variably saturated transport in UZF-RT3D, other cases are included to demonstrate the usefulness of the code in terms of model run-time and handling the reaction kinetics of multiple interacting species in variably saturated subsurface systems. As UZF1 relies on a kinematic-wave approximation for unsaturated flow that neglects the diffusive terms in Richards equation, UZF-RT3D can be used for large-scale aquifer systems for which the UZF1 formulation is reasonable, that is, capillary-pressure gradients can be neglected and soil parameters can be treated as homogeneous. Decreased model run-time and the ability to include site-specific chemical species and chemical reactions make UZF-RT3D an attractive model for efficient simulation of multispecies reactive transport in variably saturated large-scale subsurface systems.

  3. Evaluating CALIOP Nighttime Level 2 Aerosol Profile Retrievals Using a Global Transport Model Equipped with Two-Dimensional Variational Data Assimilation and Ground-Based Lidar Measurements

    Science.gov (United States)

    Campbell, J. R.; Tackett, J. L.; Reid, J. S.; Zhang, J.; Westphal, D. L.; Vaughan, M.; Winker, D. M.; Welton, E. J.; Prospero, J. M.; Shimizu, A.; Sugimoto, N.

    2011-12-01

    Launched in 2006, the Cloud Aerosol Lidar with Orthogonal Polarization instrument (CALIOP) flown aboard the NASA/CNES Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO) satellite has collected the first high-resolution global, inter-seasonal and multi-year measurements of aerosol structure. Profiles for aerosol particle extinction coefficient and column-integrated optical depth (AOD) are unique and highly synergistic satellite measurements, given the limitations of passive aerosol remote sensors from resolving information vertically. However, accurate value-added (Level 2.0) CALIOP aerosol products require comprehensive validation of retrieval techniques and calibration stability. Daytime Level 2.0 CALIOP AOD retrievals have been evaluated versus co-located NASA Moderate Resolution Imaging Spectroradiometer (MODIS-AQUA) data. To date, no corresponding investigation of nighttime retrieval performance has been conducted from a lack of requisite global nighttime validation datasets. In this paper, Version 3.01 CALIOP 5-km retrievals of nighttime 0.532 μm AOD from 2007 are evaluated versus corresponding 0.550 μm AOD analyses derived with the global 1° x 1° U. S. Navy Aerosol Analysis and Prediction System (NAAPS). Mean regional profiles of CALIOP nighttime 0.532 μm extinction coefficient are assessed versus NASA Micropulse Lidar Network and NIES Skynet Lidar Network measurements. NAAPS features a two-dimensional variational assimilation procedure for quality-assured MODIS and NASA Multi-angle Imaging Spectroradiometer (MISR) AOD products. Whereas NAAPS nighttime AOD datasets represent a nominal 12-hr forecast field, from lack of MODIS/MISR retrievals for assimilation in the dark sector of the model, evaluation of NAAPS 00-hr analysis and 24-hr forecast skill versus MODIS and NASA Aerosol Robotic Network (AERONET) indicates adequate stability for conducting this study. Corresponding daytime comparisons of CALIOP retrievals with NAAPS

  4. Effect of {sup 60}Co gamma-irradiation on two-dimensional electron gas transport and device characteristics of AlGaN/GaN HEMTs

    Energy Technology Data Exchange (ETDEWEB)

    Umana-Membreno, G.A.; Dell, J.M.; Parish, G.; Nener, B.D.; Faraone, L. [School of Electrical, Electronic and Computer Engineering, The University ofWestern Australia, Crawley WA 6009 (Australia); Ventury, R.; Mishra, U.K. [Dept. of Electrical and Computer Engineering, University of California, Santa Barbara, CA 93106 (United States)

    2005-05-01

    The effect of {sup 60}Co gamma-irradiation on Al{sub 0.33}Ga{sub 0.67}N/GaN high-electron-mobility transistors (HEMTs) has been investigated using DC and geometrical magnetoresistance measurements. The devices studied were of similar epitaxial structure, yet differed in the doping levels of the Al{sub 0.33}Ga{sub 0.67}N barrier layer: (A) nominally undoped and (B) Si-doped with SiN{sub x} passivation. Exposure to cumulative gamma-ray doses up to 20 Mrad(Si) is shown to induce significant changes in drain-current level, threshold voltage and gate leakage current level. Analysis of magnetoresistance characteristics measured at 80 K indicated that irradiation induced an increase in two-dimensional electron-gas (2DEG) density, which leads to negative threshold voltage shifts observable in the drain current versus gate voltage characteristics, attributable to the introduction of defect centers in the Al{sub 0.33}Ga{sub 0.67}N layer and/or at the gate-AlGaN interface. The 2DEG mobility-concentration profiles are shown to remain approximately unchanged for doses up to 20 Mrad(Si). Device failure, evidenced as loss of gate control over the channel and/or excessive gate leakage, occurred after exposure to 30 Mrad(Si) for device A, whereas sample B failed after 20 Mrad(Si) total dose due to failure of half of the gate contact. Degradation of gate and source/drain contacts characteristics with total dose appears to limit the tolerance of the studied HEMTs to {sup 60}Co gamma-irradiation. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  5. Quantum and Transport Mobilities of a Two-Dimensional Electron Gas in the Presence of the Rashba Spin-Orbit Interaction

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    A systematic theoretical approach is developed to study the electronic and transport properties of a twodimensional electron gas (2DEG) in the presence of spin-orbit interactions induced by the Rashba effect. The standard random-phase approximation is employed to calculate the screening length caused by electron-electron interaction in different transition channels. The quantum and transport mobilities in different spin branches are evaluated using the momentum-balance equation derived from the Boltzmann equation,in which the electron interactions with both the remote and background impurities are taken into account in an InAlAs/InGaAs heterojunction at low-temperatures.

  6. Two-dimensional liquid chromatography

    DEFF Research Database (Denmark)

    Græsbøll, Rune

    of this thesis is on online comprehensive two-dimensional liquid chromatography (online LC×LC) with reverse phase in both dimensions (online RP×RP). Since online RP×RP has not been attempted before within this research group, a significant part of this thesis consists of knowledge and experience gained...

  7. Predictive two-dimensional scrape-off layer plasma transport modeling of phase-I operations of tokamak SST-1 using SOLPS5

    Science.gov (United States)

    Himabindu, M.; Tyagi, Anil; Sharma, Devendra; Deshpande, Shishir P.; Bonnin, Xavier

    2014-02-01

    Computational analysis of coupled plasma and neutral transport in the Scrape-Off Layer (SOL) region of the Steady-State Superconducting Tokamak (SST-1) is done using SOLPS for Phase-I of double-null divertor plasma operations. An optimum set of plasma parameters is explored computationally for the first phase operations with the central objective of achieving an effective control over particle and power exhaust. While the transport of plasma species is treated using a fluid model in the B2.5 code, a full kinetic description is provided by the EIRENE code for the neutral particle transport in a realistic geometry. Cases with and without external gas puffing are analyzed for finding regimes where an effective control of plasma operations can be exercised by controlling the SOL plasma conditions over a range of heating powers. In the desired parameter range, a reasonable neutral penetration across the SOL is observed, capable of causing a variation of up to 15% of the total input power, in the power deposited on the divertors. Our computational characterization of the SOL plasma with input power 1 MW and lower hybrid current drive, for the separatrix density up to 1019 m-3, indicates that there will be access to high recycling operations producing reduction in the temperature and the peak heat flux at the divertor targets. This indicates that a control of the core plasma density and temperature would be achievable. A power balance analysis done using the kinetic neutral transport code EIRENE indicates about 60%-75% of the total power diverted to the targets, providing quantitative estimates for the relative power loading of the targets and the rest of the plasma facing components.

  8. Finite differences numerical method for two-dimensional superlattice Boltzmann transport equation and case comparison of CPU(C) and GPGPU(CUDA) implementations

    CERN Document Server

    Priimak, Dmitri

    2014-01-01

    We present finite differences numerical algorithm for solving 2D spatially homogeneous Boltzmann transport equation for semiconductor superlattices (SL) subject to time dependant electric field along SL axis and constant perpendicular magnetic field. Algorithm is implemented in C language targeted to CPU and in CUDA C language targeted to commodity NVidia GPUs. We compare performance and merits of one implementation versus another and discuss various methods of optimization.

  9. Transport properties of a quasi-two-dimensional electron system formed in LaAlO3/EuTiO3/SrTiO3 heterostructures

    Science.gov (United States)

    De Luca, G. M.; Di Capua, R.; Di Gennaro, E.; Granozio, F. Miletto; Stornaiuolo, D.; Salluzzo, M.; Gadaleta, A.; Pallecchi, I.; Marrè, D.; Piamonteze, C.; Radovic, M.; Ristic, Z.; Rusponi, S.

    2014-06-01

    We study the structural, magnetic, and transport properties of LaAlO3/EuTiO3/SrTiO3 heterostructures grown by pulsed laser deposition. The samples are characterized in situ by electron diffraction and scanning probe microscopy and ex situ by transport measurements and x-ray absorption spectroscopy. LaAlO3/EuTiO3/SrTiO3 films show a ferromagnetic transition at T ≤7.5 K, related to the ordering of Eu2+ spins, even in samples characterized by just two EuTiO3 unit cells. A finite metallic conductivity is observed only in the case of samples composed by one or two EuTiO3 unit cells and, simultaneously, by a LaAlO3 thickness greater than or equal to four unit cells. The effect of ferromagnetic EuTiO3 on the transport properties of δ-doped LaAlO3/EuTiO3/SrTiO3 is critically discussed.

  10. Assessing the performance of a permeable reactive barrier-aquifer system using a dual-domain solute transport model

    Science.gov (United States)

    Chen, Jui-Sheng; Hsu, Shao-Yiu; Li, Ming-Hsu; Liu, Chen-Wuing

    2016-12-01

    Transport behavior through a permeable reactive barrier (PRB)-aquifer system is complicated because of the different physical and chemical properties of the PRB and the aquifer. Dual-domain solute transport models are efficient tools for better understanding the various processes and mechanisms of reactive solute transport through a PRB-aquifer system. This study develops a dual-domain analytical model to assess the physical and chemical processes of two-dimensional reactive solute transport through a PRB-aquifer system. The dispersion processes of a dual-domain system on the solute transport are investigated. The results show that the dispersion parameters in a dual-domain system synchronously govern the dynamic shape of the contaminant plume. The low longitudinal and transverse dispersion coefficients of a dual-domain system may restrict the spreading of the plume and elevate the plume's concentration level. The derived analytical solution is applied to explore how the different reactive transport processes affect the performance of a PRB-aquifer system. The results show that the first-order decay rate constant of the PRB has a critical effect on the performance of the PRB-aquifer system, whereas the effects of the physical dispersion properties on PRB performance are less significant.

  11. Exploring Two-Dimensional Transport Phenomena in Metal Oxide Heterointerfaces for Next-Generation, High-Performance, Thin-Film Transistor Technologies.

    Science.gov (United States)

    Labram, John G; Lin, Yen-Hung; Anthopoulos, Thomas D

    2015-11-04

    In the last decade, metal oxides have emerged as a fascinating class of electronic material, exhibiting a wide range of unique and technologically relevant characteristics. For example, thin-film transistors formed from amorphous or polycrystalline metal oxide semiconductors offer the promise of low-cost, large-area, and flexible electronics, exhibiting performances comparable to or in excess of incumbent silicon-based technologies. Atomically flat interfaces between otherwise insulating or semiconducting complex oxides, are also found to be highly conducting, displaying 2-dimensional (2D) charge transport properties, strong correlations, and even superconductivity. Field-effect devices employing such carefully engineered interfaces are hoped to one day compete with traditional group IV or III-V semiconductors for use in the next-generation of high-performance electronics. In this Concept article we provide an overview of the different metal oxide transistor technologies and potential future research directions. In particular, we look at the recent reports of multilayer oxide thin-film transistors and the possibility of 2D electron transport in these disordered/polycrystalline systems and discuss the potential of the technology for applications in large-area electronics.

  12. Comparison of Average Transport and Dispersion Among a Gaussian Model, a Two-Dimensional Model and a Three-Dimensional Model

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, J A; Molenkamp, C R; Bixler, N E; Morrow, C W; Ramsdell, Jr., J V

    2004-05-10

    The Nuclear Regulatory Commission uses MACCS2 (MELCOR Accident Consequence Code System, Version 2) for regulatory purposes such as planning for emergencies and cost-benefit analyses. MACCS2 uses a straight-line Gaussian model for atmospheric transport and dispersion. This model has been criticized as being overly simplistic, although only expected values of metrics of interest are used in the regulatory arena. To test the assumption that averaging numerous weather results adequately compensates for the loss of structure in the meteorology that occurs away from the point of release, average MACCS2 results have been compared with average results from a state-of-the-art, 3-dimensional LODI (Lagrangian Operational Dispersion Integrator)/ADAPT (Atmospheric Data Assimilation and Parameterization Technique) and a Lagrangian trajectory, Gaussian puff transport and dispersion model from RASCAL (Radiological Assessment System for consequence Analysis). The weather sample included 610 weather trials representing conditions for a hypothetical release at the Central Facility of the Department of Energy's Atmospheric Radiation Measurement site. The values compared were average ground concentrations and average surface-level air concentrations at several distances out to 100 miles (160.9 km) from the assumed release site.

  13. Magneto-transport Spectroscopy of the First and Second Two-dimensional Subbands in Al0.25Ga0.75N/GaN Quantum Point Contacts

    Science.gov (United States)

    Lu, Fangchao; Tang, Ning; Shang, Liangliang; Guan, Hongming; Xu, Fujun; Ge, Weikun; Shen, Bo

    2017-01-01

    Magnetic transport spectroscopy is investigated in quantum point contacts (QPCs) fabricated in Al0.25Ga0.75N/GaN heterostructures. The magnetic field perpendicular to the two-dimensional electron gas (2DEG) is shown to depopulate the quasi-one-dimensional energy levels in the first two-dimensional (2D) subband faster than those in the second one. In GaN based heterostructures, the energy levels in the second 2D subband is generally concealed in the fast course of depletion and hence rarely detected. The perpendicular magnetic field facilitates the observation of the second 2D subband, and provides a method to study the properties of these energy levels. A careful analysis on the rate of the magnetic depletion with respect to the level index and confinement is carried out, from which the profile of the lateral confinement in GaN based QPCs is found to be triangular. The stability diagram at T shows the energy separation between the first and second 2D subband to be in the range of 32 to 42 meV. PMID:28225042

  14. Magneto-transport studies on curved two-dimensional electron gases in InGaAs-microscrolls; Magneto-Transportuntersuchungen an gekruemmten zweidimensionalen Elektronengasen in InGaAs-Mikroroellchen

    Energy Technology Data Exchange (ETDEWEB)

    Schumacher, O.

    2007-07-20

    In this thesis magneto-resistance studies on evenly curved two-dimensional electron systems in cylindric geometry are presented and discussed. A principle first introduced by Prinz and co-workers in 1998 enables us to roll up thin semiconductor layer systems by taking advantage of internal elastic strain. The radius of such a semiconductor tube can be adjusted ranging from a few nanometers up to several micrometers. The tubes' shape and place on the substrate can be defined by lithographic methods which are presented in this work. Furthermore, we show rolled-up structures containing a two-dimensional electron system in the tube wall. With a special lithographic procedure we are able to structure, to contact and to roll up these 2D-electron-gases in Hall geometry. As a result, a cylindric two-dimensional electron system is produced, which experiences a modulation of the perpendicular magnetic field component. The radius of curvature of our structures is about 10 {mu}m, the carrier mobility is optimized to values up to 125,000 cm{sup 2}/Vs. In transport experiments on curved Hall bars containing two dimensional electron systems two Hall bar orientations, with respect to the curvature, may be distinguished. In this work both orientations, i.e. with a Hall bar along the tube curvature as well as a Hall bar along the tube axis, are presented and discussed. Measurements on Hall bars along the curvature show signatures in the longitudinal resistance, which can be understood with the help of the Landauer-Buttiker-formalism and the model of magnetic barriers. For Hall bars oriented along the tube axis the perpendicular magnetic field component averaged over the width of the bar defines the minimum position of the Shubnikov-de Haas-oscillations as well as the slope of the Hall resistance. Furthermore, measurements on so-called van the Pauw-lamellas are presented. In this geometry the magneto-resistance shows a slope which refers to highly mobile conditions at the zero

  15. Two-dimensional hydrodynamic core-collapse supernova simulations with spectral neutrino transport. I. Numerical method and results for a 15 M_sun star

    CERN Document Server

    Buras, R; Janka, H T; Kifonidis, K

    2005-01-01

    Supernova models with a full spectral treatment of the neutrino transport are presented, employing the Prometheus/Vertex neutrino-hydrodynamics code with a ``ray-by-ray plus'' approximation for treating two- (or three-) dimensional problems. The method is described in detail and critically assessed with respect to its capabilities, limitations, and inaccuracies in the context of supernova simulations. In this first paper of a series, 1D and 2D core-collapse calculations for a (nonrotating) 15 M_sun star are discussed, uncertainties in the treatment of the equation of state -- numerical and physical -- are tested, Newtonian results are compared with simulations using a general relativistic potential, bremsstrahlung and interactions of neutrinos of different flavors are investigated, and the standard approximation in neutrino-nucleon interactions with zero energy transfer is replaced by rates that include corrections due to nucleon recoil, thermal motions, weak magnetism, and nucleon correlations. Models with t...

  16. Anisotropic electrical transport properties of a two-dimensional electron gas at SrTiO3-LaAlO3 interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Brinks, Peter [University of Twente, Enschede, Netherlands; Siemons, Wolter [ORNL; Kleibeuker, Josee [University of Twente, Enschede, Netherlands; Koster, Gertjan [University of Twente, Enschede, Netherlands; Rijnders, Guus [MESA+ University of Twente, Enschede, Netherlands; Huijben, Mark [University of Twente, Enschede, Netherlands

    2011-01-01

    Experimental evidence of strong in-plane anisotropy in electrical properties of the confined electron gas at the SrTiO{sub 3}-LaAlO{sub 3} interface on top of (LaAlO{sub 3}){sub 0.3}(Sr{sub 2}AlTaO{sub 3}){sub 0.7} substrates is provided by detailed transport measurements. Structured measurement geometries in multiple directions are used to show dependence of the sheet resistance with the in-plane angle {theta}, which is fitted with a sine function with a period of 180{sup o}. The carrier density remains constant and a directional dependence of the carrier mobility of more than one order of magnitude is determined with respect to the orientation of the unit cell height steps present at the SrTiO{sub 3}-LaAlO{sub 3} interface.

  17. Origin of the enhancement in transport properties on polycrystalline SnSe with compositing two-dimensional material MoSe2

    Science.gov (United States)

    Huang, Xue-Qin; Chen, Yue-Xing; Yin, Meijie; Feng, Dan; He, Jiaqing

    2017-03-01

    P-type SnSe compositing with 2D MoSe2 materials have been prepared by the solid solution method followed by the spark plasma sintering technique. The total thermal conductivities of SnSe/MoSe2 composites were found to be higher than for pristineSnSe at room temperature; and the disparity between them becomes smaller at higher temperatures, where the low thermal conductivities remained. Both the carrier concentration and the carrier mobility were significantly improved after MoSe2 was introduced into the SnSe matrix along the direction perpendicular to the pressing direction, leading to an extraordinary enhancement in electrical transport performance. The maximum ZT of 0.5 was obtained at 773 K for SnSe + 1.5%MoSe2 along the direction perpendicular to the pressing direction; this value is 1.5 times as large as that of the pristine SnSe.

  18. Two dimensional unstable scar statistics.

    Energy Technology Data Exchange (ETDEWEB)

    Warne, Larry Kevin; Jorgenson, Roy Eberhardt; Kotulski, Joseph Daniel; Lee, Kelvin S. H. (ITT Industries/AES Los Angeles, CA)

    2006-12-01

    This report examines the localization of time harmonic high frequency modal fields in two dimensional cavities along periodic paths between opposing sides of the cavity. The cases where these orbits lead to unstable localized modes are known as scars. This paper examines the enhancements for these unstable orbits when the opposing mirrors are both convex and concave. In the latter case the construction includes the treatment of interior foci.

  19. Two-Dimensional Vernier Scale

    Science.gov (United States)

    Juday, Richard D.

    1992-01-01

    Modified vernier scale gives accurate two-dimensional coordinates from maps, drawings, or cathode-ray-tube displays. Movable circular overlay rests on fixed rectangular-grid overlay. Pitch of circles nine-tenths that of grid and, for greatest accuracy, radii of circles large compared with pitch of grid. Scale enables user to interpolate between finest divisions of regularly spaced rule simply by observing which mark on auxiliary vernier rule aligns with mark on primary rule.

  20. Reactive transport and the genesis of kimberlites

    DEFF Research Database (Denmark)

    Pilbeam, Llewellyn; Nielsen, Troels; Waight, Tod Earle

    When studying the bulk rock analysis of kimberlites a significant correction for visible xenocrysts must be made [1,2]. Such studies concluded that olivine in kimberlite has a xenocrystic core and cognate margin. Previously, material entrained by the melt and dissolved during transport has only...... transects. Diffusion between homogeneous olivine grains and melt was also eliminated. The data was replicated using a combination of growth and minor later diffusion. Growth was modeled using AFC equations [4]. Later diffusive equilibration between core and margin was minor. Since kimberlite transport time...

  1. Phonon hydrodynamics in two-dimensional materials.

    Science.gov (United States)

    Cepellotti, Andrea; Fugallo, Giorgia; Paulatto, Lorenzo; Lazzeri, Michele; Mauri, Francesco; Marzari, Nicola

    2015-03-06

    The conduction of heat in two dimensions displays a wealth of fascinating phenomena of key relevance to the scientific understanding and technological applications of graphene and related materials. Here, we use density-functional perturbation theory and an exact, variational solution of the Boltzmann transport equation to study fully from first-principles phonon transport and heat conductivity in graphene, boron nitride, molybdenum disulphide and the functionalized derivatives graphane and fluorographene. In all these materials, and at variance with typical three-dimensional solids, normal processes keep dominating over Umklapp scattering well-above cryogenic conditions, extending to room temperature and more. As a result, novel regimes emerge, with Poiseuille and Ziman hydrodynamics, hitherto typically confined to ultra-low temperatures, characterizing transport at ordinary conditions. Most remarkably, several of these two-dimensional materials admit wave-like heat diffusion, with second sound present at room temperature and above in graphene, boron nitride and graphane.

  2. Post Audit of a Field Scale Reactive Transport Model of Uranium at a Former Mill Site

    Science.gov (United States)

    Curtis, G. P.

    2015-12-01

    Reactive transport of hexavalent uranium (U(VI)) in a shallow alluvial aquifer at a former uranium mill tailings site near Naturita CO has been monitored for nearly 30 years by the US Department of Energy and the US Geological Survey. Groundwater at the site has high concentrations of chloride, alkalinity and U(VI) as a owing to ore processing at the site from 1941 to 1974. We previously calibrated a multicomponent reactive transport model to data collected at the site from 1986 to 2001. A two dimensional nonreactive transport model used a uniform hydraulic conductivity which was estimated from observed chloride concentrations and tritium helium age dates. A reactive transport model for the 2km long site was developed by including an equilibrium U(VI) surface complexation model calibrated to laboratory data and calcite equilibrium. The calibrated model reproduced both nonreactive tracers as well as the observed U(VI), pH and alkalinity. Forward simulations for the period 2002-2015 conducted with the calibrated model predict significantly faster natural attenuation of U(VI) concentrations than has been observed by the persistent high U(VI) concentrations at the site. Alternative modeling approaches are being evaluating evaluated using recent data to determine if the persistence can be explained by multirate mass transfer models developed from experimental observations at the column scale(~0.2m), the laboratory tank scale (~2m), the field tracer test scale (~1-4m) or geophysical observation scale (~1-5m). Results of this comparison should provide insight into the persistence of U(VI) plumes and improved management options.

  3. Two-dimensional liquid chromatography

    DEFF Research Database (Denmark)

    Græsbøll, Rune

    Two-dimensional liquid chromatography has received increasing interest due to the rise in demand for analysis of complex chemical mixtures. Separation of complex mixtures is hard to achieve as a simple consequence of the sheer number of analytes, as these samples might contain hundreds or even...... dimensions. As a consequence of the conclusions made within this thesis, the research group has, for the time being, decided against further development of online LC×LC systems, since it was not deemed ideal for the intended application, the analysis of the polar fraction of oil. Trap-and...

  4. Two-dimensional capillary origami

    Energy Technology Data Exchange (ETDEWEB)

    Brubaker, N.D., E-mail: nbrubaker@math.arizona.edu; Lega, J., E-mail: lega@math.arizona.edu

    2016-01-08

    We describe a global approach to the problem of capillary origami that captures all unfolded equilibrium configurations in the two-dimensional setting where the drop is not required to fully wet the flexible plate. We provide bifurcation diagrams showing the level of encapsulation of each equilibrium configuration as a function of the volume of liquid that it contains, as well as plots representing the energy of each equilibrium branch. These diagrams indicate at what volume level the liquid drop ceases to be attached to the endpoints of the plate, which depends on the value of the contact angle. As in the case of pinned contact points, three different parameter regimes are identified, one of which predicts instantaneous encapsulation for small initial volumes of liquid. - Highlights: • Full solution set of the two-dimensional capillary origami problem. • Fluid does not necessarily wet the entire plate. • Global energy approach provides exact differential equations satisfied by minimizers. • Bifurcation diagrams highlight three different regimes. • Conditions for spontaneous encapsulation are identified.

  5. Modeling of flow and reactive transport in IPARS

    KAUST Repository

    Wheeler, Mary Fanett

    2012-03-11

    In this work, we describe a number of efficient and locally conservative methods for subsurface flow and reactive transport that have been or are currently being implemented in the IPARS (Integrated Parallel and Accurate Reservoir Simulator). For flow problems, we consider discontinuous Galerkin (DG) methods and mortar mixed finite element methods. For transport problems, we employ discontinuous Galerkin methods and Godunov-mixed methods. For efficient treatment of reactive transport simulations, we present a number of state-of-the-art dynamic mesh adaptation strategies and implementations. Operator splitting approaches and iterative coupling techniques are also discussed. Finally, numerical examples are provided to illustrate the capability of IPARS to treat general biogeochemistry as well as the effectivity of mesh adaptations with DG for transport. © 2012 Bentham Science Publishers. All rights reserved.

  6. Reactive dispersive contaminant transport in coastal aquifers: numerical simulation of a reactive Henry problem.

    Science.gov (United States)

    Nick, H M; Raoof, A; Centler, F; Thullner, M; Regnier, P

    2013-02-01

    The reactive mixing between seawater and terrestrial water in coastal aquifers influences the water quality of submarine groundwater discharge. While these waters come into contact at the seawater groundwater interface by density driven flow, their chemical components dilute and react through dispersion. A larger interface and wider mixing zone may provide favorable conditions for the natural attenuation of contaminant plumes. It has been claimed that the extent of this mixing is controlled by both, porous media properties and flow conditions. In this study, the interplay between dispersion and reactive processes in coastal aquifers is investigated by means of numerical experiments. Particularly, the impact of dispersion coefficients, the velocity field induced by density driven flow and chemical component reactivities on reactive transport in such aquifers is studied. To do this, a hybrid finite-element finite-volume method and a reactive simulator are coupled, and model accuracy and applicability are assessed. A simple redox reaction is considered to describe the degradation of a contaminant which requires mixing of the contaminated groundwater and the seawater containing the terminal electron acceptor. The resulting degradation is observed for different scenarios considering different magnitudes of dispersion and chemical reactivity. Three reactive transport regimes are found: reaction controlled, reaction-dispersion controlled and dispersion controlled. Computational results suggest that the chemical components' reactivity as well as dispersion coefficients play a significant role on controlling reactive mixing zones and extent of contaminant removal in coastal aquifers. Further, our results confirm that the dilution index is a better alternative to the second central spatial moment of a plume to describe the mixing of reactive solutes in coastal aquifers.

  7. Reactive dispersive contaminant transport in coastal aquifers: Numerical simulation of a reactive Henry problem

    KAUST Repository

    Nick, H.M.

    2013-02-01

    The reactive mixing between seawater and terrestrial water in coastal aquifers influences the water quality of submarine groundwater discharge. While these waters come into contact at the seawater groundwater interface by density driven flow, their chemical components dilute and react through dispersion. A larger interface and wider mixing zone may provide favorable conditions for the natural attenuation of contaminant plumes. It has been claimed that the extent of this mixing is controlled by both, porous media properties and flow conditions. In this study, the interplay between dispersion and reactive processes in coastal aquifers is investigated by means of numerical experiments. Particularly, the impact of dispersion coefficients, the velocity field induced by density driven flow and chemical component reactivities on reactive transport in such aquifers is studied. To do this, a hybrid finite-element finite-volume method and a reactive simulator are coupled, and model accuracy and applicability are assessed. A simple redox reaction is considered to describe the degradation of a contaminant which requires mixing of the contaminated groundwater and the seawater containing the terminal electron acceptor. The resulting degradation is observed for different scenarios considering different magnitudes of dispersion and chemical reactivity. Three reactive transport regimes are found: reaction controlled, reaction-dispersion controlled and dispersion controlled. Computational results suggest that the chemical components\\' reactivity as well as dispersion coefficients play a significant role on controlling reactive mixing zones and extent of contaminant removal in coastal aquifers. Further, our results confirm that the dilution index is a better alternative to the second central spatial moment of a plume to describe the mixing of reactive solutes in coastal aquifers. © 2012 Elsevier B.V.

  8. Two-dimensional quantum repeaters

    Science.gov (United States)

    Wallnöfer, J.; Zwerger, M.; Muschik, C.; Sangouard, N.; Dür, W.

    2016-11-01

    The endeavor to develop quantum networks gave rise to a rapidly developing field with far-reaching applications such as secure communication and the realization of distributed computing tasks. This ultimately calls for the creation of flexible multiuser structures that allow for quantum communication between arbitrary pairs of parties in the network and facilitate also multiuser applications. To address this challenge, we propose a two-dimensional quantum repeater architecture to establish long-distance entanglement shared between multiple communication partners in the presence of channel noise and imperfect local control operations. The scheme is based on the creation of self-similar multiqubit entanglement structures at growing scale, where variants of entanglement swapping and multiparty entanglement purification are combined to create high-fidelity entangled states. We show how such networks can be implemented using trapped ions in cavities.

  9. Two-dimensional capillary origami

    Science.gov (United States)

    Brubaker, N. D.; Lega, J.

    2016-01-01

    We describe a global approach to the problem of capillary origami that captures all unfolded equilibrium configurations in the two-dimensional setting where the drop is not required to fully wet the flexible plate. We provide bifurcation diagrams showing the level of encapsulation of each equilibrium configuration as a function of the volume of liquid that it contains, as well as plots representing the energy of each equilibrium branch. These diagrams indicate at what volume level the liquid drop ceases to be attached to the endpoints of the plate, which depends on the value of the contact angle. As in the case of pinned contact points, three different parameter regimes are identified, one of which predicts instantaneous encapsulation for small initial volumes of liquid.

  10. Two-dimensional cubic convolution.

    Science.gov (United States)

    Reichenbach, Stephen E; Geng, Frank

    2003-01-01

    The paper develops two-dimensional (2D), nonseparable, piecewise cubic convolution (PCC) for image interpolation. Traditionally, PCC has been implemented based on a one-dimensional (1D) derivation with a separable generalization to two dimensions. However, typical scenes and imaging systems are not separable, so the traditional approach is suboptimal. We develop a closed-form derivation for a two-parameter, 2D PCC kernel with support [-2,2] x [-2,2] that is constrained for continuity, smoothness, symmetry, and flat-field response. Our analyses, using several image models, including Markov random fields, demonstrate that the 2D PCC yields small improvements in interpolation fidelity over the traditional, separable approach. The constraints on the derivation can be relaxed to provide greater flexibility and performance.

  11. Assessment of parametric uncertainty for groundwater reactive transport modeling,

    Science.gov (United States)

    Shi, Xiaoqing; Ye, Ming; Curtis, Gary P.; Miller, Geoffery L.; Meyer, Philip D.; Kohler, Matthias; Yabusaki, Steve; Wu, Jichun

    2014-01-01

    The validity of using Gaussian assumptions for model residuals in uncertainty quantification of a groundwater reactive transport model was evaluated in this study. Least squares regression methods explicitly assume Gaussian residuals, and the assumption leads to Gaussian likelihood functions, model parameters, and model predictions. While the Bayesian methods do not explicitly require the Gaussian assumption, Gaussian residuals are widely used. This paper shows that the residuals of the reactive transport model are non-Gaussian, heteroscedastic, and correlated in time; characterizing them requires using a generalized likelihood function such as the formal generalized likelihood function developed by Schoups and Vrugt (2010). For the surface complexation model considered in this study for simulating uranium reactive transport in groundwater, parametric uncertainty is quantified using the least squares regression methods and Bayesian methods with both Gaussian and formal generalized likelihood functions. While the least squares methods and Bayesian methods with Gaussian likelihood function produce similar Gaussian parameter distributions, the parameter distributions of Bayesian uncertainty quantification using the formal generalized likelihood function are non-Gaussian. In addition, predictive performance of formal generalized likelihood function is superior to that of least squares regression and Bayesian methods with Gaussian likelihood function. The Bayesian uncertainty quantification is conducted using the differential evolution adaptive metropolis (DREAM(zs)) algorithm; as a Markov chain Monte Carlo (MCMC) method, it is a robust tool for quantifying uncertainty in groundwater reactive transport models. For the surface complexation model, the regression-based local sensitivity analysis and Morris- and DREAM(ZS)-based global sensitivity analysis yield almost identical ranking of parameter importance. The uncertainty analysis may help select appropriate likelihood

  12. Fluid-rock interaction: A reactive transport approach

    Energy Technology Data Exchange (ETDEWEB)

    Steefel, C.; Maher, K.

    2009-04-01

    Fluid-rock interaction (or water-rock interaction, as it was more commonly known) is a subject that has evolved considerably in its scope over the years. Initially its focus was primarily on interactions between subsurface fluids of various temperatures and mostly crystalline rocks, but the scope has broadened now to include fluid interaction with all forms of subsurface materials, whether they are unconsolidated or crystalline ('fluid-solid interaction' is perhaps less euphonious). Disciplines that previously carried their own distinct names, for example, basin diagenesis, early diagenesis, metamorphic petrology, reactive contaminant transport, chemical weathering, are now considered to fall under the broader rubric of fluid-rock interaction, although certainly some of the key research questions differ depending on the environment considered. Beyond the broadening of the environments considered in the study of fluid-rock interaction, the discipline has evolved in perhaps an even more important way. The study of water-rock interaction began by focusing on geochemical interactions in the absence of transport processes, although a few notable exceptions exist (Thompson 1959; Weare et al. 1976). Moreover, these analyses began by adopting a primarily thermodynamic approach, with the implicit or explicit assumption of equilibrium between the fluid and rock. As a result, these early models were fundamentally static rather than dynamic in nature. This all changed with the seminal papers by Helgeson and his co-workers (Helgeson 1968; Helgeson et al. 1969) wherein the concept of an irreversible reaction path was formally introduced into the geochemical literature. In addition to treating the reaction network as a dynamically evolving system, the Helgeson studies introduced an approach that allowed for the consideration of a multicomponent geochemical system, with multiple minerals and species appearing as both reactants and products, at least one of which could be

  13. Classifying Two-dimensional Hyporeductive Triple Algebras

    CERN Document Server

    Issa, A Nourou

    2010-01-01

    Two-dimensional real hyporeductive triple algebras (h.t.a.) are investigated. A classification of such algebras is presented. As a consequence, a classification of two-dimensional real Lie triple algebras (i.e. generalized Lie triple systems) and two-dimensional real Bol algebras is given.

  14. Perspective: Two-dimensional resonance Raman spectroscopy

    Science.gov (United States)

    Molesky, Brian P.; Guo, Zhenkun; Cheshire, Thomas P.; Moran, Andrew M.

    2016-11-01

    Two-dimensional resonance Raman (2DRR) spectroscopy has been developed for studies of photochemical reaction mechanisms and structural heterogeneity in complex systems. The 2DRR method can leverage electronic resonance enhancement to selectively probe chromophores embedded in complex environments (e.g., a cofactor in a protein). In addition, correlations between the two dimensions of the 2DRR spectrum reveal information that is not available in traditional Raman techniques. For example, distributions of reactant and product geometries can be correlated in systems that undergo chemical reactions on the femtosecond time scale. Structural heterogeneity in an ensemble may also be reflected in the 2D spectroscopic line shapes of both reactive and non-reactive systems. In this perspective article, these capabilities of 2DRR spectroscopy are discussed in the context of recent applications to the photodissociation reactions of triiodide and myoglobin. We also address key differences between the signal generation mechanisms for 2DRR and off-resonant 2D Raman spectroscopies. Most notably, it has been shown that these two techniques are subject to a tradeoff between sensitivity to anharmonicity and susceptibility to artifacts. Overall, recent experimental developments and applications of the 2DRR method suggest great potential for the future of the technique.

  15. Measurements and models of reactive transport in geological media

    Science.gov (United States)

    Berkowitz, Brian; Dror, Ishai; Hansen, Scott K.; Scher, Harvey

    2016-12-01

    Reactive chemical transport plays a key role in geological media across scales, from pore scale to aquifer scale. Systems can be altered by changes in solution chemistry and a wide variety of chemical transformations, including precipitation/dissolution reactions that cause feedbacks that directly affect the flow and transport regime. The combination of these processes with advective-dispersive-diffusive transport in heterogeneous media leads to a rich spectrum of complex dynamics. The principal challenge in modeling reactive transport is to account for the subtle effects of fluctuations in the flow field and species concentrations; spatial or temporal averaging generally suppresses these effects. Moreover, it is critical to ground model conceptualizations and test model outputs against laboratory experiments and field measurements. This review emphasizes the integration of these aspects, considering carefully designed and controlled experiments at both laboratory and field scales, in the context of development and solution of reactive transport models based on continuum-scale and particle tracking approaches. We first discuss laboratory experiments and field measurements that define the scope of the phenomena and provide data for model comparison. We continue by surveying models involving advection-dispersion-reaction equation and continuous time random walk formulations. The integration of measurements and models is then examined, considering a series of case studies in different frameworks. We delineate the underlying assumptions, and strengths and weaknesses, of these analyses, and the role of probabilistic effects. We also show the key importance of quantifying the spreading and mixing of reactive species, recognizing the role of small-scale physical and chemical fluctuations that control the initiation of reactions.

  16. Two-dimensional function photonic crystals

    CERN Document Server

    Wu, Xiang-Yao; Liu, Xiao-Jing; Liang, Yu

    2016-01-01

    In this paper, we have firstly proposed two-dimensional function photonic crystals, which the dielectric constants of medium columns are the functions of space coordinates $\\vec{r}$, it is different from the two-dimensional conventional photonic crystals constituting by the medium columns of dielectric constants are constants. We find the band gaps of two-dimensional function photonic crystals are different from the two-dimensional conventional photonic crystals, and when the functions form of dielectric constants are different, the band gaps structure should be changed, which can be designed into the appropriate band gaps structures by the two-dimensional function photonic crystals.

  17. Modeling Reactive Transport in Coupled Groundwater-Conduit Systems

    Science.gov (United States)

    Spiessl, S. M.; Sauter, M.; Zheng, C.; Viswanathan, H. S.

    2002-05-01

    Modeling reactive transport in coupled groundwater-conduit systems requires consideration of two transport time scales in the flow and transport models. Consider for example a subsurface mine consisting of a network of highly conductive shafts, drifts or ventilation raises (i.e., conduits) within the considerably less permeable ore material (i.e., matrix). In the conduits, potential contaminants can travel much more rapidly than in the background aquifer (matrix). Since conduits cannot necessarily be regarded as a continuum, double continuum models are only of limited use for simulation of contaminant transport in such coupled groundwater-conduit systems. This study utilizes a "hybrid" flow and transport model in which contaminants can in essence be transported at a slower time scale in the matrix and at a faster time scale in the conduits. The hybrid flow model uses an approach developed by Clemens et al. (1996), which is based on the modelling of flow in a discrete pipe network, coupled to a continuum representing the low-permeability inter-conduit matrix blocks. Laminar or turbulent flow can be simulated in the different pipes depending on the flow conditions in the model domain. The three-dimensional finite-difference groundwater flow model MODFLOW (Harbaugh and McDonald, 1996) is used to simulate flow in the continuum. Contaminant transport within the matrix is simulated with a continuum approach using the three-dimensional multi-species solute transport model MT3DMS (Zheng and Wang, 1999), while that in the conduit system is simulated with a one-dimensional advective transport model. As a first step for reactive transport modeling in such systems, only equilibrium reactions among multiple species are considered by coupling the hybrid transport model to a geochemical speciation package. An idealized mine network developed by Viswanathan and Sauter (2001) is used as a test problem in this study. The numerical experiment is based on reference date collected from

  18. Interpreting the cross-sectional flow field in a river bank based on a genetic-algorithm two-dimensional heat-transport method (GA-VS2DH)

    Science.gov (United States)

    Su, Xiaoru; Shu, Longcang; Chen, Xunhong; Lu, Chengpeng; Wen, Zhonghui

    2016-12-01

    Interactions between surface waters and groundwater are of great significance for evaluating water resources and protecting ecosystem health. Heat as a tracer method is widely used in determination of the interactive exchange with high precision, low cost and great convenience. The flow in a river-bank cross-section occurs in vertical and lateral directions. In order to depict the flow path and its spatial distribution in bank areas, a genetic algorithm (GA) two-dimensional (2-D) heat-transport nested-loop method for variably saturated sediments, GA-VS2DH, was developed based on Microsoft Visual Basic 6.0. VS2DH was applied to model a 2-D bank-water flow field and GA was used to calibrate the model automatically by minimizing the difference between observed and simulated temperatures in bank areas. A hypothetical model was developed to assess the reliability of GA-VS2DH in inverse modeling in a river-bank system. Some benchmark tests were conducted to recognize the capability of GA-VS2DH. The results indicated that the simulated seepage velocity and parameters associated with GA-VS2DH were acceptable and reliable. Then GA-VS2DH was applied to two field sites in China with different sedimentary materials, to verify the reliability of the method. GA-VS2DH could be applied in interpreting the cross-sectional 2-D water flow field. The estimates of horizontal hydraulic conductivity at the Dawen River and Qinhuai River sites are 1.317 and 0.015 m/day, which correspond to sand and clay sediment in the two sites, respectively.

  19. Interpreting the cross-sectional flow field in a river bank based on a genetic-algorithm two-dimensional heat-transport method (GA-VS2DH)

    Science.gov (United States)

    Su, Xiaoru; Shu, Longcang; Chen, Xunhong; Lu, Chengpeng; Wen, Zhonghui

    2016-08-01

    Interactions between surface waters and groundwater are of great significance for evaluating water resources and protecting ecosystem health. Heat as a tracer method is widely used in determination of the interactive exchange with high precision, low cost and great convenience. The flow in a river-bank cross-section occurs in vertical and lateral directions. In order to depict the flow path and its spatial distribution in bank areas, a genetic algorithm (GA) two-dimensional (2-D) heat-transport nested-loop method for variably saturated sediments, GA-VS2DH, was developed based on Microsoft Visual Basic 6.0. VS2DH was applied to model a 2-D bank-water flow field and GA was used to calibrate the model automatically by minimizing the difference between observed and simulated temperatures in bank areas. A hypothetical model was developed to assess the reliability of GA-VS2DH in inverse modeling in a river-bank system. Some benchmark tests were conducted to recognize the capability of GA-VS2DH. The results indicated that the simulated seepage velocity and parameters associated with GA-VS2DH were acceptable and reliable. Then GA-VS2DH was applied to two field sites in China with different sedimentary materials, to verify the reliability of the method. GA-VS2DH could be applied in interpreting the cross-sectional 2-D water flow field. The estimates of horizontal hydraulic conductivity at the Dawen River and Qinhuai River sites are 1.317 and 0.015 m/day, which correspond to sand and clay sediment in the two sites, respectively.

  20. Enhanced two dimensional electron gas transport characteristics in Al{sub 2}O{sub 3}/AlInN/GaN metal-oxide-semiconductor high-electron-mobility transistors on Si substrate

    Energy Technology Data Exchange (ETDEWEB)

    Freedsman, J. J., E-mail: freedy54@gmail.com; Watanabe, A.; Urayama, Y. [Research Center for Nano-Devices and Advanced Materials, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466 8555 (Japan); Egawa, T., E-mail: egawa.takashi@nitech.ac.jp [Research Center for Nano-Devices and Advanced Materials, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466 8555 (Japan); Innovation Center for Multi-Business of Nitride Semiconductors, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466 8555 (Japan)

    2015-09-07

    The authors report on Al{sub 2}O{sub 3}/Al{sub 0.85}In{sub 0.15}N/GaN Metal-Oxide-Semiconductor High-Electron-Mobility Transistor (MOS-HEMT) on Si fabricated by using atomic layer deposited Al{sub 2}O{sub 3} as gate insulator and passivation layer. The MOS-HEMT with the gate length of 2 μm exhibits excellent direct-current (dc) characteristics with a drain current maximum of 1270 mA/mm at a gate bias of 3 V and an off-state breakdown voltage of 180 V for a gate-drain spacing of 4 μm. Also, the 1 μm-gate MOS-HEMT shows good radio-frequency (rf) response such as current gain and maximum oscillation cut-off frequencies of 10 and 34 GHz, respectively. The capacitance-voltage characteristics at 1 MHz revealed significant increase in two-dimensional electron gas (2DEG) density for the MOS-HEMT compared to conventional Schottky barrier HEMTs. Analyses using drain-source conductivity measurements showed improvements in 2DEG transport characteristics for the MOS-HEMT. The enhancements in dc and rf performances of the Al{sub 2}O{sub 3}/Al{sub 0.85}In{sub 0.15}N/GaN MOS-HEMT are attributed to the improvements in 2DEG characteristics.

  1. Fluid-rock interaction: A reactive transport approach

    Energy Technology Data Exchange (ETDEWEB)

    Steefel, C.; Maher, K.

    2009-04-01

    Fluid-rock interaction (or water-rock interaction, as it was more commonly known) is a subject that has evolved considerably in its scope over the years. Initially its focus was primarily on interactions between subsurface fluids of various temperatures and mostly crystalline rocks, but the scope has broadened now to include fluid interaction with all forms of subsurface materials, whether they are unconsolidated or crystalline ('fluid-solid interaction' is perhaps less euphonious). Disciplines that previously carried their own distinct names, for example, basin diagenesis, early diagenesis, metamorphic petrology, reactive contaminant transport, chemical weathering, are now considered to fall under the broader rubric of fluid-rock interaction, although certainly some of the key research questions differ depending on the environment considered. Beyond the broadening of the environments considered in the study of fluid-rock interaction, the discipline has evolved in perhaps an even more important way. The study of water-rock interaction began by focusing on geochemical interactions in the absence of transport processes, although a few notable exceptions exist (Thompson 1959; Weare et al. 1976). Moreover, these analyses began by adopting a primarily thermodynamic approach, with the implicit or explicit assumption of equilibrium between the fluid and rock. As a result, these early models were fundamentally static rather than dynamic in nature. This all changed with the seminal papers by Helgeson and his co-workers (Helgeson 1968; Helgeson et al. 1969) wherein the concept of an irreversible reaction path was formally introduced into the geochemical literature. In addition to treating the reaction network as a dynamically evolving system, the Helgeson studies introduced an approach that allowed for the consideration of a multicomponent geochemical system, with multiple minerals and species appearing as both reactants and products, at least one of which could be

  2. Hadamard States and Two-dimensional Gravity

    CERN Document Server

    Salehi, H

    2001-01-01

    We have used a two-dimensional analog of the Hadamard state-condition to study the local constraints on the two-point function of a linear quantum field conformally coupled to a two-dimensional gravitational background. We develop a dynamical model in which the determination of the state of the quantum field is essentially related to the determination of a conformal frame. A particular conformal frame is then introduced in which a two-dimensional gravitational equation is established.

  3. Topological defects in two-dimensional crystals

    OpenAIRE

    Chen, Yong; Qi, Wei-Kai

    2008-01-01

    By using topological current theory, we study the inner topological structure of the topological defects in two-dimensional (2D) crystal. We find that there are two elementary point defects topological current in two-dimensional crystal, one for dislocations and the other for disclinations. The topological quantization and evolution of topological defects in two-dimensional crystals are discussed. Finally, We compare our theory with Brownian-dynamics simulations in 2D Yukawa systems.

  4. Reactive solute transport in physically and chemically heterogeneous porous media with multimodal reactive mineral facies: The Lagrangian approach

    CERN Document Server

    Soltanian, Mohamad Reza; Dai, Zhenxue; Huang, Chaocheng

    2014-01-01

    Physical and chemical heterogeneities have a large impact on reactive transport in porous media. Examples of heterogeneous attributes affecting reactive mass transport are the hydraulic conductivity (K), and the equilibrium sorption distribution coefficient (Kd). This paper uses the Deng et al. (2013) conceptual model for multimodal reactive mineral facies and a Lagrangian-based stochastic theory in order to analyze the reactive solute dispersion in three-dimensional anisotropic heterogeneous porous media with hierarchical organization of reactive minerals. An example based on real field data is used to illustrate the time evolution trends of reactive solute dispersion. The results show that the correlation between the hydraulic conductivity and the equilibrium sorption distribution coefficient does have a significant effect on reactive solute dispersion. The anisotropy ratio does not have a significant effect on reactive solute dispersion. Furthermore, through a sensitivity analysis we investigate the impact...

  5. Phase conjugated Andreev backscattering in two-dimensional ballistic cavities

    NARCIS (Netherlands)

    Morpurgo, A.F.; Holl, S.; Wees, B.J.van; Klapwijk, T.M; Borghs, G.

    1997-01-01

    We have experimentally investigated transport in two-dimensional ballistic cavities connected to a point contact and to two superconducting electrodes with a tunable macroscopic phase difference. The point contact resistance oscillates as a function of the phase difference in a way which reflects

  6. A Coupled Model of Multiphase Flow, Reactive Biogeochemical Transport, Thermal Transport and Geo-Mechanics.

    Science.gov (United States)

    Tsai, C. H.; Yeh, G. T.

    2015-12-01

    In this investigation, a coupled model of multiphase flow, reactive biogeochemical transport, thermal transport and geo-mechanics in subsurface media is presented. It iteratively solves the mass conservation equation for fluid flow, thermal transport equation for temperature, reactive biogeochemical transport equations for concentration distributions, and solid momentum equation for displacement with successive linearization algorithm. With species-based equations of state, density of a phase in the system is obtained by summing up concentrations of all species. This circumvents the problem of having to use empirical functions. Moreover, reaction rates of all species are incorporated in mass conservation equation for fluid flow. Formation enthalpy of all species is included in the law of energy conservation as a source-sink term. Finite element methods are used to discretize the governing equations. Numerical experiments are presented to examine the accuracy and robustness of the proposed model. The results demonstrate the feasibility and capability of present model in subsurface media.

  7. Strongly interacting two-dimensional Dirac fermions

    NARCIS (Netherlands)

    Lim, L.K.; Lazarides, A.; Hemmerich, Andreas; de Morais Smith, C.

    2009-01-01

    We show how strongly interacting two-dimensional Dirac fermions can be realized with ultracold atoms in a two-dimensional optical square lattice with an experimentally realistic, inherent gauge field, which breaks time reversal and inversion symmetries. We find remarkable phenomena in a temperature

  8. Topology optimization of two-dimensional waveguides

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard; Sigmund, Ole

    2003-01-01

    In this work we use the method of topology optimization to design two-dimensional waveguides with low transmission loss.......In this work we use the method of topology optimization to design two-dimensional waveguides with low transmission loss....

  9. Representing Microbial Processes in Environmental Reactive Transport Models

    Science.gov (United States)

    van Cappellen, P.

    2009-04-01

    Microorganisms play a key role in the biogeochemical functioning of the earth's surface and shallow subsurface. In the context of reactive transport modeling, a major challenge is to derive, parameterize, calibrate and verify mathematical expressions for microbially-mediated reactions in the environmental. This is best achieved by combining field observations, laboratory experiments, theoretical principles and modeling. Here, I will illustrate such an integrated approach for the case of microbial respiration processes in aquatic sediments. Important issues that will be covered include experimental design, model consistency and performance, as well as the bioenergetics and transient behavior of geomicrobial reaction systems.

  10. Transport of secondary electrons and reactive species in ion tracks

    CERN Document Server

    Surdutovich, Eugene

    2015-01-01

    The transport of reactive species brought about by ions traversing tissue-like medium is analysed analytically. Secondary electrons ejected by ions are capable of ionizing other molecules; the transport of these generations of electrons is studied using the random walk approximation until these electrons remain ballistic. Then, the distribution of solvated electrons produced as a result of interaction of low-energy electrons with water molecules is obtained. The radial distribution of energy loss by ions and secondary electrons to the medium yields the initial radial dose distribution, which can be used as initial conditions for the predicted shock waves. The formation, diffusion, and chemical evolution of hydroxyl radicals in liquid water are studied as well.

  11. Langevin model for reactive transport in porous media

    Science.gov (United States)

    Tartakovsky, Alexandre M.

    2010-08-01

    Existing continuum models for reactive transport in porous media tend to overestimate the extent of solute mixing and mixing-controlled reactions because the continuum models treat both the mechanical and diffusive mixings as an effective Fickian process. Recently, we have proposed a phenomenological Langevin model for flow and transport in porous media [A. M. Tartakovsky, D. M. Tartakovsky, and P. Meakin, Phys. Rev. Lett. 101, 044502 (2008)10.1103/PhysRevLett.101.044502]. In the Langevin model, the fluid flow in a porous continuum is governed by a combination of a Langevin equation and a continuity equation. Pore-scale velocity fluctuations, the source of mechanical dispersion, are represented by the white noise. The advective velocity (the solution of the Langevin flow equation) causes the mechanical dispersion of a solute. Molecular diffusion and sub-pore-scale Taylor-type dispersion are modeled by an effective stochastic advection-diffusion equation. Here, we propose a method for parameterization of the model for a synthetic porous medium, and we use the model to simulate multicomponent reactive transport in the porous medium. The detailed comparison of the results of the Langevin model with pore-scale and continuum (Darcy) simulations shows that: (1) for a wide range of Peclet numbers the Langevin model predicts the mass of reaction product more accurately than the Darcy model; (2) for small Peclet numbers predictions of both the Langevin and the Darcy models agree well with a prediction of the pore-scale model; and (3) the accuracy of the Langevin and Darcy model deteriorates with the increasing Peclet number but the accuracy of the Langevin model decreases more slowly than the accuracy of the Darcy model. These results show that the separate treatment of advective and diffusive mixing in the stochastic transport model is more accurate than the classical advection-dispersion theory, which uses a single effective diffusion coefficient (the dispersion

  12. Two-dimensional topological photonic systems

    Science.gov (United States)

    Sun, Xiao-Chen; He, Cheng; Liu, Xiao-Ping; Lu, Ming-Hui; Zhu, Shi-Ning; Chen, Yan-Feng

    2017-09-01

    The topological phase of matter, originally proposed and first demonstrated in fermionic electronic systems, has drawn considerable research attention in the past decades due to its robust transport of edge states and its potential with respect to future quantum information, communication, and computation. Recently, searching for such a unique material phase in bosonic systems has become a hot research topic worldwide. So far, many bosonic topological models and methods for realizing them have been discovered in photonic systems, acoustic systems, mechanical systems, etc. These discoveries have certainly yielded vast opportunities in designing material phases and related properties in the topological domain. In this review, we first focus on some of the representative photonic topological models and employ the underlying Dirac model to analyze the edge states and geometric phase. On the basis of these models, three common types of two-dimensional topological photonic systems are discussed: 1) photonic quantum Hall effect with broken time-reversal symmetry; 2) photonic topological insulator and the associated pseudo-time-reversal symmetry-protected mechanism; 3) time/space periodically modulated photonic Floquet topological insulator. Finally, we provide a summary and extension of this emerging field, including a brief introduction to the Weyl point in three-dimensional systems.

  13. Conservative and reactive solute transport in constructed wetlands

    Science.gov (United States)

    Keefe, S.H.; Barber, L.B.; Runkel, R.L.; Ryan, J.N.; McKnight, Diane M.; Wass, R.D.

    2004-01-01

    The transport of bromide, a conservative tracer, and rhodamine WT (RWT), a photodegrading tracer, was evaluated in three wastewater-dependent wetlands near Phoenix, Arizona, using a solute transport model with transient storage. Coupled sodium bromide and RWT tracer tests were performed to establish conservative transport and reactive parameters in constructed wetlands with water losses ranging from (1) relatively impermeable (15%), (2) moderately leaky (45%), and (3) significantly leaky (76%). RWT first-order photolysis rates and sorption coefficients were determined from independent field and laboratory experiments. Individual wetland hydraulic profiles influenced the extent of transient storage interaction in stagnant water areas and consequently RWT removal. Solute mixing and transient storage interaction occurred in the impermeable wetland, resulting in 21% RWT mass loss from main channel and storage zone photolysis (10%) and sorption (11%) reactions. Advection and dispersion governed solute transport in the leaky wetland, limiting RWT photolysis removal (1.2%) and favoring main channel sorption (3.6%). The moderately leaky wetland contained islands parallel to flow, producing channel flow and minimizing RWT losses (1.6%).

  14. Adaptive Mesh Refinement in Reactive Transport Modeling of Subsurface Environments

    Science.gov (United States)

    Molins, S.; Day, M.; Trebotich, D.; Graves, D. T.

    2015-12-01

    Adaptive mesh refinement (AMR) is a numerical technique for locally adjusting the resolution of computational grids. AMR makes it possible to superimpose levels of finer grids on the global computational grid in an adaptive manner allowing for more accurate calculations locally. AMR codes rely on the fundamental concept that the solution can be computed in different regions of the domain with different spatial resolutions. AMR codes have been applied to a wide range of problem including (but not limited to): fully compressible hydrodynamics, astrophysical flows, cosmological applications, combustion, blood flow, heat transfer in nuclear reactors, and land ice and atmospheric models for climate. In subsurface applications, in particular, reactive transport modeling, AMR may be particularly useful in accurately capturing concentration gradients (hence, reaction rates) that develop in localized areas of the simulation domain. Accurate evaluation of reaction rates is critical in many subsurface applications. In this contribution, we will discuss recent applications that bring to bear AMR capabilities on reactive transport problems from the pore scale to the flood plain scale.

  15. Airborne Observations of Reactive Bromine Transport in the Arctic

    Science.gov (United States)

    Peterson, P.; Sihler, H.; Pöhler, D.; Zielcke, J.; General, S.; Friess, U.; Platt, U.; Simpson, W. R.; Nghiem, S. V.; Shepson, P. B.; Stirm, B. H.; Wagner, T.; Caulton, D.; Fuentes, J. D.; Pratt, K.

    2016-12-01

    The return of sunlight in the polar spring leads to production of reactive halogen species from surface snowpacks, altering the chemical composition of the Arctic atmospheric boundary layer. In particular, bromine chemistry is implicated in boundary layer ozone depletion events (ODEs) and altered oxidation of atmospheric pollutants. Currently, many uncertainties exist regarding the vertical extent of this chemistry, as well as the transport and sustained recycling of these halogens aloft. Here, we present airborne BrO and aerosol particle measurements obtained during the 2012 Bromine Ozone Mercury EXperiment on 13 March near Barrow, AK. Airborne differential optical absorption spectroscopy (DOAS) observations showed a bromine monoxide (BrO) plume, disconnected from the surface, moving with the wind. The amount of BrO observed in the lofted plume remained constant over the course of the three hour flight, indicating heterogeneous recycling of reactive bromine was taking place. Concurrent in-situ measurements of size-resolved aerosol number concentrations, together with DOAS retrievals of aerosol particle extinction profiles, indicated this lofted bromine plume was transported and maintained at elevated levels through reactions on supermicron aerosol particles, independently of surface snowpack bromine chemistry.

  16. End-Member Formulation of Solid Solutions and Reactive Transport

    Energy Technology Data Exchange (ETDEWEB)

    Lichtner, Peter C. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-09-01

    A model for incorporating solid solutions into reactive transport equations is presented based on an end-member representation. Reactive transport equations are solved directly for the composition and bulk concentration of the solid solution. Reactions of a solid solution with an aqueous solution are formulated in terms of an overall stoichiometric reaction corresponding to a time-varying composition and exchange reactions, equivalent to reaction end-members. Reaction rates are treated kinetically using a transition state rate law for the overall reaction and a pseudo-kinetic rate law for exchange reactions. The composition of the solid solution at the onset of precipitation is assumed to correspond to the least soluble composition, equivalent to the composition at equilibrium. The stoichiometric saturation determines if the solid solution is super-saturated with respect to the aqueous solution. The method is implemented for a simple prototype batch reactor using Mathematica for a binary solid solution. Finally, the sensitivity of the results on the kinetic rate constant for a binary solid solution is investigated for reaction of an initially stoichiometric solid phase with an undersaturated aqueous solution.

  17. ESCRIPT-RT: Reactive transport simulation in PYTHON using ESCRIPT

    Science.gov (United States)

    Poulet, T.; Gross, L.; Georgiev, D.; Cleverley, J.

    2012-08-01

    We present ESCRIPT-RT, a new reactive transport simulation code for fully saturated porous media which is based on a finite element method (FEM) combined with three other components: (i) a Gibbs minimisation solver for equilibrium modelling of fluid-rock interactions, (ii) an equation of state for pure water to calculate fluid properties and (iii) a thermodynamically consistent material database to determine rocks' material properties. Using decoupling of most of the standard governing equations, this code solves sequentially for temperature, pressure, mass transport and chemical equilibrium. In contrast, pressure and Darcy flow velocities are solved as a coupled system. The reactive transport itself is performed using the masses of chemical elements instead of chemical species. In such way it requires less computing memory and time than the majority of other packages. The code is based on ESCRIPT, a parallelised platform which supports efficient stepwise simulation of realistic geodynamic scenarios at multiple scales. It is particularly suitable to analyse hydrothermal systems involving geometrically complex geological structures with strong permeability contrasts and subject to complex fluid-rock chemical interactions. The modular architecture of the code and its high level Python interface also provide flexibility for modellers who can easily modify or add new feedbacks between the different physical processes. In addition, the implemented abstract user interface allows geologists to run the code without knowledge of the underlying numerical implementation. As an example we show the simulation of hydrothermal gold precipitation in a granite-greenstone geological sequence, which illustrates the important coupling between thermal response and mass transfer to the localisation of gold.

  18. Modelling reactive transport in a phosphogypsum dump, Venezia, Italia

    Science.gov (United States)

    Calcara, Massimo; Borgia, Andrea; Cattaneo, Laura; Bartolo, Sergio; Clemente, Gianni; Glauco Amoroso, Carlo; Lo Re, Fabio; Tozzato, Elena

    2013-04-01

    We develop a reactive-transport porous media flow model for a phosphogypsum dump located on the intertidal deposits of the Venetian Lagoon: 1. we construct a complex conceptual and geologic model from field data using the GMS™ graphical user interface; 2. the geological model is mapped onto a rectangular MODFLOW grid; 3. using the TMT2 FORTRAN90 code we translate this grid into the MESH, INCON and GENER input files for the TOUGH2 series of codes; 4. we run TOUGH-REACT to model flow and reactive transport in the dump and the sediments below it. The model includes 3 different dump materials (phosphogypsum, bituminous and hazardous wastes) with the pores saturated by specific fluids. The sediments below the dump are formed by an intertidal sequence of calcareous sands and silts, in addition to clays and organic deposits, all of which are initially saturated with lagoon salty waters. The recharge rain-water dilutes the dump fluids. In turn, the percolates from the dump react with the underlying sediments and the sea water that saturates them. Simulation results have been compared with chemical sampled analyses. In fact, in spite of the simplicity of our model we are able to show how the pH becomes neutral at a short distance below the dump, a fact observed during aquifer monitoring. The spatial and temporal evolution of dissolution and precipitation reactions occur in our model much alike reality. Mobility of some elements, such as divalent iron, are reduced by specific and concurrent conditions of pH from near-neutrality to moderately high values and positive redox potential; opposite conditions favour mobility of potentially toxic metals such as Cr, As Cd and Pb. Vertical movement are predominant. Trend should be therefore heavily influenced by pH and Eh values. If conditions are favourable to mobility, concentration of these substances in the bottom strata could be high. However, simulation suggest that the sediments tend to reduce the transport potential of

  19. Two Dimensional Plasmonic Cavities on Moire Surfaces

    Science.gov (United States)

    Balci, Sinan; Kocabas, Askin; Karabiyik, Mustafa; Kocabas, Coskun; Aydinli, Atilla

    2010-03-01

    We investigate surface plasmon polariton (SPP) cavitiy modes on two dimensional Moire surfaces in the visible spectrum. Two dimensional hexagonal Moire surface can be recorded on a photoresist layer using Interference lithography (IL). Two sequential exposures at slightly different angles in IL generate one dimensional Moire surfaces. Further sequential exposure for the same sample at slightly different angles after turning the sample 60 degrees around its own axis generates two dimensional hexagonal Moire cavity. Spectroscopic reflection measurements have shown plasmonic band gaps and cavity states at all the azimuthal angles (omnidirectional cavity and band gap formation) investigated. The plasmonic band gap edge and the cavity states energies show six fold symmetry on the two dimensional Moire surface as measured in reflection measurements.

  20. Two-dimensional function photonic crystals

    Science.gov (United States)

    Liu, Xiao-Jing; Liang, Yu; Ma, Ji; Zhang, Si-Qi; Li, Hong; Wu, Xiang-Yao; Wu, Yi-Heng

    2017-01-01

    In this paper, we have studied two-dimensional function photonic crystals, in which the dielectric constants of medium columns are the functions of space coordinates , that can become true easily by electro-optical effect and optical kerr effect. We calculated the band gap structures of TE and TM waves, and found the TE (TM) wave band gaps of function photonic crystals are wider (narrower) than the conventional photonic crystals. For the two-dimensional function photonic crystals, when the dielectric constant functions change, the band gaps numbers, width and position should be changed, and the band gap structures of two-dimensional function photonic crystals can be adjusted flexibly, the needed band gap structures can be designed by the two-dimensional function photonic crystals, and it can be of help to design optical devices.

  1. Two-Dimensional Planetary Surface Lander

    Science.gov (United States)

    Hemmati, H.; Sengupta, A.; Castillo, J.; McElrath, T.; Roberts, T.; Willis, P.

    2014-06-01

    A systems engineering study was conducted to leverage a new two-dimensional (2D) lander concept with a low per unit cost to enable scientific study at multiple locations with a single entry system as the delivery vehicle.

  2. Kinetic theory of transport processes in partially ionized reactive plasma, II: Electron transport properties

    Science.gov (United States)

    Zhdanov, V. M.; Stepanenko, A. A.

    2016-11-01

    The previously obtained in (Zhdanov and Stepanenko, 2016) general transport equations for partially ionized reactive plasma are employed for analysis of electron transport properties in molecular and atomic plasmas. We account for both elastic and inelastic interaction channels of electrons with atoms and molecules of plasma and also the processes of electron impact ionization of neutral particles and three-body ion-electron recombination. The system of scalar transport equations for electrons is discussed and the expressions for non-equilibrium corrections to electron ionization and recombination rates and the diagonal part of the electron pressure tensor are derived. Special attention is paid to analysis of electron energy relaxation during collisions with plasma particles having internal degrees of freedom and the expression for the electron coefficient of inelastic energy losses is deduced. We also derive the expressions for electron vector and tensorial transport fluxes and the corresponding transport coefficients for partially ionized reactive plasma, which represent a generalization of the well-known results obtained by Devoto (1967). The results of numerical evaluation of contribution from electron inelastic collisions with neutral particles to electron transport properties are presented for a series of molecular and atomic gases.

  3. Reactive transport of aqueous protons in porous media

    KAUST Repository

    McNeece, Colin J.

    2016-10-09

    The sorption of protons determines the surface charge of natural media and is therefore a first-order control on contaminant transport. Significant effort has been extended to develop chemical models that quantify the sorption of protons at the mineral surface. To compare these models’ effect on predicted proton transport, we present analytic solutions for column experiments through silica sand. Reaction front morphology is controlled by the functional relationship between the total sorbed and total aqueous proton concentrations. An inflection point in this function near neutral pH leads to a reversal in the classic front formation mechanism under basic conditions, such that proton desorption leads to a self-sharpening front, while adsorption leads to a spreading front. A composite reaction front comprising both a spreading and self-sharpening segment can occur when the injected and initial concentrations straddle the inflection point. This behavior is unique in single component reactive transport and arises due to the auto-ionization of water rather than electrostatic interactions at the mineral surface. We derive a regime diagram illustrating conditions under which different fronts occur, highlighting areas where model predictions diverge. Chemical models are then compared and validated against a systematic set of column experiments.

  4. AN IN-SITU PERMEABLE REACTIVE BARRIER FOR THE TREATMENT OF HEXAVALENT CHROMIUM AND TRICHLOROETHYLENE IN GROUNDWATER: VOLUME 3 MULTICOMPONENT REACTIVE TRANSPORT MODELING

    Science.gov (United States)

    Reactive transport modeling has been conducted to describe the performance of the permeable reactive barrier at the Coast Guard Support Center near Elizabeth City, NC. The reactive barrier was installed to treat groundwater contaminated by hexavalent chromium and chlorinated org...

  5. Folding two dimensional crystals by swift heavy ion irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Ochedowski, Oliver; Bukowska, Hanna [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany); Freire Soler, Victor M. [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany); Departament de Fisica Aplicada i Optica, Universitat de Barcelona, E08028 Barcelona (Spain); Brökers, Lara [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany); Ban-d' Etat, Brigitte; Lebius, Henning [CIMAP (CEA-CNRS-ENSICAEN-UCBN), 14070 Caen Cedex 5 (France); Schleberger, Marika, E-mail: marika.schleberger@uni-due.de [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany)

    2014-12-01

    Ion irradiation of graphene, the showcase model of two dimensional crystals, has been successfully applied to induce various modifications in the graphene crystal. One of these modifications is the formation of origami like foldings in graphene which are created by swift heavy ion irradiation under glancing incidence angle. These foldings can be applied to locally alter the physical properties of graphene like mechanical strength or chemical reactivity. In this work we show that the formation of foldings in two dimensional crystals is not restricted to graphene but can be applied for other materials like MoS{sub 2} and hexagonal BN as well. Further we show that chemical vapour deposited graphene forms foldings after swift heavy ion irradiation while chemical vapour deposited MoS{sub 2} does not.

  6. Modeling Biodegradation and Reactive Transport: Analytical and Numerical Models

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Y; Glascoe, L

    2005-06-09

    The computational modeling of the biodegradation of contaminated groundwater systems accounting for biochemical reactions coupled to contaminant transport is a valuable tool for both the field engineer/planner with limited computational resources and the expert computational researcher less constrained by time and computer power. There exists several analytical and numerical computer models that have been and are being developed to cover the practical needs put forth by users to fulfill this spectrum of computational demands. Generally, analytical models provide rapid and convenient screening tools running on very limited computational power, while numerical models can provide more detailed information with consequent requirements of greater computational time and effort. While these analytical and numerical computer models can provide accurate and adequate information to produce defensible remediation strategies, decisions based on inadequate modeling output or on over-analysis can have costly and risky consequences. In this chapter we consider both analytical and numerical modeling approaches to biodegradation and reactive transport. Both approaches are discussed and analyzed in terms of achieving bioremediation goals, recognizing that there is always a tradeoff between computational cost and the resolution of simulated systems.

  7. Interpolation by two-dimensional cubic convolution

    Science.gov (United States)

    Shi, Jiazheng; Reichenbach, Stephen E.

    2003-08-01

    This paper presents results of image interpolation with an improved method for two-dimensional cubic convolution. Convolution with a piecewise cubic is one of the most popular methods for image reconstruction, but the traditional approach uses a separable two-dimensional convolution kernel that is based on a one-dimensional derivation. The traditional, separable method is sub-optimal for the usual case of non-separable images. The improved method in this paper implements the most general non-separable, two-dimensional, piecewise-cubic interpolator with constraints for symmetry, continuity, and smoothness. The improved method of two-dimensional cubic convolution has three parameters that can be tuned to yield maximal fidelity for specific scene ensembles characterized by autocorrelation or power-spectrum. This paper illustrates examples for several scene models (a circular disk of parametric size, a square pulse with parametric rotation, and a Markov random field with parametric spatial detail) and actual images -- presenting the optimal parameters and the resulting fidelity for each model. In these examples, improved two-dimensional cubic convolution is superior to several other popular small-kernel interpolation methods.

  8. Large-scale modeling of reactive solute transport in fracture zones of granitic bedrocks

    Science.gov (United States)

    Molinero, Jorge; Samper, Javier

    2006-01-01

    Final disposal of high-level radioactive waste in deep repositories located in fractured granite formations is being considered by several countries. The assessment of the safety of such repositories requires using numerical models of groundwater flow, solute transport and chemical processes. These models are being developed from data and knowledge gained from in situ experiments such as the Redox Zone Experiment carried out at the underground laboratory of Äspö in Sweden. This experiment aimed at evaluating the effects of the construction of the access tunnel on the hydrogeological and hydrochemical conditions of a fracture zone intersected by the tunnel. Most chemical species showed dilution trends except for bicarbonate and sulphate which unexpectedly increased with time. Molinero and Samper [Molinero, J. and Samper, J. Groundwater flow and solute transport in fracture zones: an improved model for a large-scale field experiment at Äspö (Sweden). J. Hydraul. Res., 42, Extra Issue, 157-172] presented a two-dimensional water flow and solute transport finite element model which reproduced measured drawdowns and dilution curves of conservative species. Here we extend their model by using a reactive transport which accounts for aqueous complexation, acid-base, redox processes, dissolution-precipitation of calcite, quartz, hematite and pyrite, and cation exchange between Na + and Ca 2+. The model provides field-scale estimates of cation exchange capacity of the fracture zone and redox potential of groundwater recharge. It serves also to identify the mineral phases controlling the solubility of iron. In addition, the model is useful to test the relevance of several geochemical processes. Model results rule out calcite dissolution as the process causing the increase in bicarbonate concentration and reject the following possible sources of sulphate: (1) pyrite dissolution, (2) leaching of alkaline sulphate-rich waters from a nearby rock landfill and (3) dissolution of

  9. PFLOTRAN: Recent Developments Facilitating Massively-Parallel Reactive Biogeochemical Transport

    Science.gov (United States)

    Hammond, G. E.

    2015-12-01

    With the recent shift towards modeling carbon and nitrogen cycling in support of climate-related initiatives, emphasis has been placed on incorporating increasingly mechanistic biogeochemistry within Earth system models to more accurately predict the response of terrestrial processes to natural and anthropogenic climate cycles. PFLOTRAN is an open-source subsurface code that is specialized for simulating multiphase flow and multicomponent biogeochemical transport on supercomputers. The object-oriented code was designed with modularity in mind and has been coupled with several third-party simulators (e.g. CLM to simulate land surface processes and E4D for coupled hydrogeophysical inversion). Central to PFLOTRAN's capabilities is its ability to simulate tightly-coupled reactive transport processes. This presentation focuses on recent enhancements to the code that enable the solution of large parameterized biogeochemical reaction networks with numerous chemical species. PFLOTRAN's "reaction sandbox" is described, which facilitates the implementation of user-defined reaction networks without the need for a comprehensive understanding of PFLOTRAN software infrastructure. The reaction sandbox is written in modern Fortran (2003-2008) and leverages encapsulation, inheritance, and polymorphism to provide the researcher with a flexible workspace for prototyping reactions within a massively parallel flow and transport simulation framework. As these prototypical reactions mature into well-accepted implementations, they can be incorporated into PFLOTRAN as native biogeochemistry capability. Users of the reaction sandbox are encouraged to upload their source code to PFLOTRAN's main source code repository, including the addition of simple regression tests to better ensure the long-term code compatibility and validity of simulation results.

  10. Modeling reactive transport with particle tracking and kernel estimators

    Science.gov (United States)

    Rahbaralam, Maryam; Fernandez-Garcia, Daniel; Sanchez-Vila, Xavier

    2015-04-01

    Groundwater reactive transport models are useful to assess and quantify the fate and transport of contaminants in subsurface media and are an essential tool for the analysis of coupled physical, chemical, and biological processes in Earth Systems. Particle Tracking Method (PTM) provides a computationally efficient and adaptable approach to solve the solute transport partial differential equation. On a molecular level, chemical reactions are the result of collisions, combinations, and/or decay of different species. For a well-mixed system, the chem- ical reactions are controlled by the classical thermodynamic rate coefficient. Each of these actions occurs with some probability that is a function of solute concentrations. PTM is based on considering that each particle actually represents a group of molecules. To properly simulate this system, an infinite number of particles is required, which is computationally unfeasible. On the other hand, a finite number of particles lead to a poor-mixed system which is limited by diffusion. Recent works have used this effect to actually model incomplete mix- ing in naturally occurring porous media. In this work, we demonstrate that this effect in most cases should be attributed to a defficient estimation of the concentrations and not to the occurrence of true incomplete mixing processes in porous media. To illustrate this, we show that a Kernel Density Estimation (KDE) of the concentrations can approach the well-mixed solution with a limited number of particles. KDEs provide weighting functions of each particle mass that expands its region of influence, hence providing a wider region for chemical reactions with time. Simulation results show that KDEs are powerful tools to improve state-of-the-art simulations of chemical reactions and indicates that incomplete mixing in diluted systems should be modeled based on alternative conceptual models and not on a limited number of particles.

  11. Simulation of reactive processes related to biodegradation in aquifers. 1. Structure of the three-dimensional reactive transport model

    Science.gov (United States)

    Schäfer, Dirk; Schäfer, Wolfgang; Kinzelbach, Wolfgang

    1998-05-01

    The reactive transport model TBC (transport, biochemistry, and chemistry) numerically solves the equations for reactive transport in three-dimensional saturated groundwater flow. A finite element approximation and a standard Galerkin method are used. Solute transport is coupled to microbially mediated organic carbon degradation. Microbial growth is assumed to follow Monod-type kinetics. Substrate consumption and release of metabolic products is coupled to microbial growth via yield coefficients and stoichiometric relations. Additionally, the effects of microbial activity on selected inorganic chemical species in the aquifer can be considered. TBC allows the user to specify a wide range of possible biochemical and chemical reactions in the input file. This makes TBC a powerful and flexible simulation tool. It was developed to simulate reactive processes related to in situ bioremediation, but further fields of application are laboratory column studies on redox processes coupled to organic carbon degradation, field cases of intrinsic biodegradation, and early diagenetic processes in sediments.

  12. TWO-DIMENSIONAL TOPOLOGY OF COSMOLOGICAL REIONIZATION

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yougang; Xu, Yidong; Chen, Xuelei [Key Laboratory of Computational Astrophysics, National Astronomical Observatories, Chinese Academy of Sciences, Beijing, 100012 China (China); Park, Changbom [School of Physics, Korea Institute for Advanced Study, 85 Hoegiro, Dongdaemun-gu, Seoul 130-722 (Korea, Republic of); Kim, Juhan, E-mail: wangyg@bao.ac.cn, E-mail: cbp@kias.re.kr [Center for Advanced Computation, Korea Institute for Advanced Study, 85 Hoegiro, Dongdaemun-gu, Seoul 130-722 (Korea, Republic of)

    2015-11-20

    We study the two-dimensional topology of the 21-cm differential brightness temperature for two hydrodynamic radiative transfer simulations and two semi-numerical models. In each model, we calculate the two-dimensional genus curve for the early, middle, and late epochs of reionization. It is found that the genus curve depends strongly on the ionized fraction of hydrogen in each model. The genus curves are significantly different for different reionization scenarios even when the ionized faction is the same. We find that the two-dimensional topology analysis method is a useful tool to constrain the reionization models. Our method can be applied to the future observations such as those of the Square Kilometre Array.

  13. Two dimensional topology of cosmological reionization

    CERN Document Server

    Wang, Yougang; Xu, Yidong; Chen, Xuelei; Kim, Juhan

    2015-01-01

    We study the two-dimensional topology of the 21-cm differential brightness temperature for two hydrodynamic radiative transfer simulations and two semi-numerical models. In each model, we calculate the two dimensional genus curve for the early, middle and late epochs of reionization. It is found that the genus curve depends strongly on the ionized fraction of hydrogen in each model. The genus curves are significantly different for different reionization scenarios even when the ionized faction is the same. We find that the two-dimensional topology analysis method is a useful tool to constrain the reionization models. Our method can be applied to the future observations such as those of the Square Kilometer Array.

  14. Application of reactive transport modelling to growth and transport of microorganisms in the capillary fringe

    CERN Document Server

    Hron, Pavel; Bastian, Peter; Gallert, Claudia; Winter, Josef; Ippisch, Olaf

    2014-01-01

    A multicomponent multiphase reactive transport simulator has been developed to facilitate the investigation of a large variety of phenomena in porous media including component transport, diffusion, microbiological growth and decay, cell attachment and detachment and phase exchange. The coupled problem is solved using operator splitting. This approach allows a flexible adaptation of the solution strategy to the concrete problem. Moreover, the individual submodels were optimised to be able to describe behaviour of Escherichia coli (HB101 K12 pGLO) in the capillary fringe in the presence or absence of dissolved organic carbon and oxygen under steady-state and flow conditions. Steady-state and flow through experiments in a Hele-Shaw cell, filled with quartz sand, were conducted to study eutrophic bacterial growth and transport in both saturated and unsaturated porous media. As E. coli cells can form the green fluorescent protein (GFP), the cell densities, calculated by evaluation of measured fluorescence intensit...

  15. Two-dimensional x-ray diffraction

    CERN Document Server

    He, Bob B

    2009-01-01

    Written by one of the pioneers of 2D X-Ray Diffraction, this useful guide covers the fundamentals, experimental methods and applications of two-dimensional x-ray diffraction, including geometry convention, x-ray source and optics, two-dimensional detectors, diffraction data interpretation, and configurations for various applications, such as phase identification, texture, stress, microstructure analysis, crystallinity, thin film analysis and combinatorial screening. Experimental examples in materials research, pharmaceuticals, and forensics are also given. This presents a key resource to resea

  16. Matching Two-dimensional Gel Electrophoresis' Spots

    DEFF Research Database (Denmark)

    Dos Anjos, António; AL-Tam, Faroq; Shahbazkia, Hamid Reza

    2012-01-01

    This paper describes an approach for matching Two-Dimensional Electrophoresis (2-DE) gels' spots, involving the use of image registration. The number of false positive matches produced by the proposed approach is small, when compared to academic and commercial state-of-the-art approaches. This ar......This paper describes an approach for matching Two-Dimensional Electrophoresis (2-DE) gels' spots, involving the use of image registration. The number of false positive matches produced by the proposed approach is small, when compared to academic and commercial state-of-the-art approaches...

  17. Mobility anisotropy of two-dimensional semiconductors

    Science.gov (United States)

    Lang, Haifeng; Zhang, Shuqing; Liu, Zhirong

    2016-12-01

    The carrier mobility of anisotropic two-dimensional semiconductors under longitudinal acoustic phonon scattering was theoretically studied using deformation potential theory. Based on the Boltzmann equation with the relaxation time approximation, an analytic formula of intrinsic anisotropic mobility was derived, showing that the influence of effective mass on mobility anisotropy is larger than those of deformation potential constant or elastic modulus. Parameters were collected for various anisotropic two-dimensional materials (black phosphorus, Hittorf's phosphorus, BC2N , MXene, TiS3, and GeCH3) to calculate their mobility anisotropy. It was revealed that the anisotropic ratio is overestimated by the previously described method.

  18. Towards two-dimensional search engines

    OpenAIRE

    Ermann, Leonardo; Chepelianskii, Alexei D.; Shepelyansky, Dima L.

    2011-01-01

    We study the statistical properties of various directed networks using ranking of their nodes based on the dominant vectors of the Google matrix known as PageRank and CheiRank. On average PageRank orders nodes proportionally to a number of ingoing links, while CheiRank orders nodes proportionally to a number of outgoing links. In this way the ranking of nodes becomes two-dimensional that paves the way for development of two-dimensional search engines of new type. Statistical properties of inf...

  19. Smoothed Particle Hydrodynamics Model for Reactive Transport and Mineral Precipitation

    Energy Technology Data Exchange (ETDEWEB)

    Tartakovsky, Alexandre M.; Scheibe, Timothy D.; Redden, George; Meakin, Paul; Fang, Yilin

    2006-06-30

    A new Lagrangian particle model based on smoothed particle hydrodynamics was used to simulate pore scale precipitation reactions. The side-by-side injection of reacting solutions into two halves of a two-dimensional granular porous medium was simulated. Precipitation on grain surfaces occurred along a narrow zone in the middle of the domain, where the reacting solutes mixed to generate a supersaturated reaction product. The numerical simulations qualitatively reproduced the behavior observed in related laboratory experiments.

  20. Molecular assembly on two-dimensional materials

    Science.gov (United States)

    Kumar, Avijit; Banerjee, Kaustuv; Liljeroth, Peter

    2017-02-01

    Molecular self-assembly is a well-known technique to create highly functional nanostructures on surfaces. Self-assembly on two-dimensional (2D) materials is a developing field driven by the interest in functionalization of 2D materials in order to tune their electronic properties. This has resulted in the discovery of several rich and interesting phenomena. Here, we review this progress with an emphasis on the electronic properties of the adsorbates and the substrate in well-defined systems, as unveiled by scanning tunneling microscopy. The review covers three aspects of the self-assembly. The first one focuses on non-covalent self-assembly dealing with site-selectivity due to inherent moiré pattern present on 2D materials grown on substrates. We also see that modification of intermolecular interactions and molecule–substrate interactions influences the assembly drastically and that 2D materials can also be used as a platform to carry out covalent and metal-coordinated assembly. The second part deals with the electronic properties of molecules adsorbed on 2D materials. By virtue of being inert and possessing low density of states near the Fermi level, 2D materials decouple molecules electronically from the underlying metal substrate and allow high-resolution spectroscopy and imaging of molecular orbitals. The moiré pattern on the 2D materials causes site-selective gating and charging of molecules in some cases. The last section covers the effects of self-assembled, acceptor and donor type, organic molecules on the electronic properties of graphene as revealed by spectroscopy and electrical transport measurements. Non-covalent functionalization of 2D materials has already been applied for their application as catalysts and sensors. With the current surge of activity on building van der Waals heterostructures from atomically thin crystals, molecular self-assembly has the potential to add an extra level of flexibility and functionality for applications ranging

  1. Piezoelectricity in Two-Dimensional Materials

    KAUST Repository

    Wu, Tao

    2015-02-25

    Powering up 2D materials: Recent experimental studies confirmed the existence of piezoelectricity - the conversion of mechanical stress into electricity - in two-dimensional single-layer MoS2 nanosheets. The results represent a milestone towards embedding low-dimensional materials into future disruptive technologies. © 2015 Wiley-VCH Verlag GmbH & Co. KGaA.

  2. Kronecker Product of Two-dimensional Arrays

    Institute of Scientific and Technical Information of China (English)

    Lei Hu

    2006-01-01

    Kronecker sequences constructed from short sequences are good sequences for spread spectrum communication systems. In this paper we study a similar problem for two-dimensional arrays, and we determine the linear complexity of the Kronecker product of two arrays. Our result shows that similar good property on linear complexity holds for Kronecker product of arrays.

  3. Two-Dimensional Toda-Heisenberg Lattice

    Directory of Open Access Journals (Sweden)

    Vadim E. Vekslerchik

    2013-06-01

    Full Text Available We consider a nonlinear model that is a combination of the anisotropic two-dimensional classical Heisenberg and Toda-like lattices. In the framework of the Hirota direct approach, we present the field equations of this model as a bilinear system, which is closely related to the Ablowitz-Ladik hierarchy, and derive its N-soliton solutions.

  4. A novel two dimensional particle velocity sensor

    NARCIS (Netherlands)

    Pjetri, Olti; Wiegerink, Remco J.; Lammerink, Theo S.; Krijnen, Gijs J.

    2013-01-01

    In this paper we present a two wire, two-dimensional particle velocity sensor. The miniature sensor of size 1.0x2.5x0.525 mm, consisting of only two crossed wires, shows excellent directional sensitivity in both directions, thus requiring no directivity calibration, and is relatively easy to fabrica

  5. Two-dimensional microstrip detector for neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Oed, A. [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)

    1997-04-01

    Because of their robust design, gas microstrip detectors, which were developed at ILL, can be assembled relatively quickly, provided the prefabricated components are available. At the beginning of 1996, orders were received for the construction of three two-dimensional neutron detectors. These detectors have been completed. The detectors are outlined below. (author). 2 refs.

  6. Two-dimensional magma-repository interactions

    NARCIS (Netherlands)

    Bokhove, O.

    2001-01-01

    Two-dimensional simulations of magma-repository interactions reveal that the three phases --a shock tube, shock reflection and amplification, and shock attenuation and decay phase-- in a one-dimensional flow tube model have a precursor. This newly identified phase ``zero'' consists of the impact of

  7. Two-dimensional subwavelength plasmonic lattice solitons

    CERN Document Server

    Ye, F; Hu, B; Panoiu, N C

    2010-01-01

    We present a theoretical study of plasmonic lattice solitons (PLSs) formed in two-dimensional (2D) arrays of metallic nanowires embedded into a nonlinear medium with Kerr nonlinearity. We analyze two classes of 2D PLSs families, namely, fundamental and vortical PLSs in both focusing and defocusing media. Their existence, stability, and subwavelength spatial confinement are studied in detai

  8. A two-dimensional Dirac fermion microscope

    DEFF Research Database (Denmark)

    Bøggild, Peter; Caridad, Jose; Stampfer, Christoph

    2017-01-01

    in the solid state. Here we provide a perspective view on how a two-dimensional (2D) Dirac fermion-based microscope can be realistically implemented and operated, using graphene as a vacuum chamber for ballistic electrons. We use semiclassical simulations to propose concrete architectures and design rules of 2...

  9. A two-dimensional analytical model of petroleum vapor intrusion

    Science.gov (United States)

    Yao, Yijun; Verginelli, Iason; Suuberg, Eric M.

    2016-02-01

    In this study we present an analytical solution of a two-dimensional petroleum vapor intrusion model, which incorporates a steady-state diffusion-dominated vapor transport in a homogeneous soil and piecewise first-order aerobic biodegradation limited by oxygen availability. This new model can help practitioners to easily generate two-dimensional soil gas concentration profiles for both hydrocarbons and oxygen and estimate hydrocarbon indoor air concentrations as a function of site-specific conditions such as source strength and depth, reaction rate constant, soil characteristics and building features. The soil gas concentration profiles generated by this new model are shown in good agreement with three-dimensional numerical simulations and two-dimensional measured soil gas data from a field study. This implies that for cases involving diffusion dominated soil gas transport, steady state conditions and homogenous source and soil, this analytical model can be used as a fast and easy-to-use risk screening tool by replicating the results of 3-D numerical simulations but with much less computational effort.

  10. Microbially Mediated Kinetic Sulfur Isotope Fractionation: Reactive Transport Modeling Benchmark

    Science.gov (United States)

    Wanner, C.; Druhan, J. L.; Cheng, Y.; Amos, R. T.; Steefel, C. I.; Ajo Franklin, J. B.

    2014-12-01

    Microbially mediated sulfate reduction is a ubiquitous process in many subsurface systems. Isotopic fractionation is characteristic of this anaerobic process, since sulfate reducing bacteria (SRB) favor the reduction of the lighter sulfate isotopologue (S32O42-) over the heavier isotopologue (S34O42-). Detection of isotopic shifts have been utilized as a proxy for the onset of sulfate reduction in subsurface systems such as oil reservoirs and aquifers undergoing uranium bioremediation. Reactive transport modeling (RTM) of kinetic sulfur isotope fractionation has been applied to field and laboratory studies. These RTM approaches employ different mathematical formulations in the representation of kinetic sulfur isotope fractionation. In order to test the various formulations, we propose a benchmark problem set for the simulation of kinetic sulfur isotope fractionation during microbially mediated sulfate reduction. The benchmark problem set is comprised of four problem levels and is based on a recent laboratory column experimental study of sulfur isotope fractionation. Pertinent processes impacting sulfur isotopic composition such as microbial sulfate reduction and dispersion are included in the problem set. To date, participating RTM codes are: CRUNCHTOPE, TOUGHREACT, MIN3P and THE GEOCHEMIST'S WORKBENCH. Preliminary results from various codes show reasonable agreement for the problem levels simulating sulfur isotope fractionation in 1D.

  11. Modeling of titration experiments by a reactive transport model

    Institute of Scientific and Technical Information of China (English)

    Ma Hongyun; Samper Javier; Xin Xin

    2011-01-01

    Acid mine drainage (AMD) is commonly treated by neutralization with alkaline substances. This treatment is supported by titration experiments that illustrate the buffering mechanisms and estimate the base neutralization capacity (BNC) of the AMD. Detailed explanation of titration curves requires modeling with a hydro-chemical model. In this study the titration curves of water samples from the drainage of the As Pontes mine and the corresponding dumps have been investigated and six buffers are selected by analyzing those curves. Titration curves have been simulated by a reactive transport model to discover the detailed buffering mechanisms. These simulations show seven regions involving different buffering mechanism. The BNC is primarily from buffers of dissolved Fe, Al and hydrogen sulfate. The BNC can be approximated by: BNC = 3(CFe + CAl) + 0.05Csulfate, where the units are mol/L. The BNC of the sample from the mine is 9.25 × 10-3 mol/L and that of the dumps sample is 1.28 × 10-2 mol/L.

  12. An Assessment of Factors Affecting Reactive Transport of Biodegradable BTEX in an Unconfined Aquifer System, Tehran Oil Refinery, Iran

    Directory of Open Access Journals (Sweden)

    A. Agah

    2012-12-01

    Full Text Available Risk-based assessment methods are commonly used at the contaminated sites by hydrocarbon pollutants. This paper presents the results of a two-dimensional finite volume model of reactive transport of biodegradable BTEX which have been developed for the saturated zone of an unconfined aquifer in the Pump station area of Tehran oil refinery, Iran. The model governing equations were numerically solved by modification of a general commercial software called PHOENICS. To reduce costs in general, many input parameters of a model are often approximated based on the used values in the contaminated sites with same conditions. It was not fully recognised the effect of errors in these inputs on modelling outputs. Thus, a sensitivity analysis was carried out to determine the influence of parameters variability on the results of model. For this analysis, the sensitivity of the model to changes in the dispersivity, distribution coefficient, parameters of Monod, Michaelis-Menten, first- and zero- order kinetics modes on the BTEX contaminant plume were examined by performing several simulations. It was found that the model is sensitive to changes in dispersivity and parameters of Michaelis-Menten, first- and zero- order kinetics model. On the other hand, the predictions for plumes assuming Monod kinetics are similar, even if different values for parameterization are chosen. The reason for this insensibility is that degradation is not limited by microbial kinetics in the simulation, but by dispersive mixing. Quantifying the effect of changes in model input parameters on the modelling results is essential when it is desired to recognise which model parameters are more vital on the fate and transport of reactive pollutants. Furthermore, this process can provide an insight into understanding pollutant transportation mechanisms.

  13. Electronics based on two-dimensional materials.

    Science.gov (United States)

    Fiori, Gianluca; Bonaccorso, Francesco; Iannaccone, Giuseppe; Palacios, Tomás; Neumaier, Daniel; Seabaugh, Alan; Banerjee, Sanjay K; Colombo, Luigi

    2014-10-01

    The compelling demand for higher performance and lower power consumption in electronic systems is the main driving force of the electronics industry's quest for devices and/or architectures based on new materials. Here, we provide a review of electronic devices based on two-dimensional materials, outlining their potential as a technological option beyond scaled complementary metal-oxide-semiconductor switches. We focus on the performance limits and advantages of these materials and associated technologies, when exploited for both digital and analog applications, focusing on the main figures of merit needed to meet industry requirements. We also discuss the use of two-dimensional materials as an enabling factor for flexible electronics and provide our perspectives on future developments.

  14. Two-dimensional ranking of Wikipedia articles

    Science.gov (United States)

    Zhirov, A. O.; Zhirov, O. V.; Shepelyansky, D. L.

    2010-10-01

    The Library of Babel, described by Jorge Luis Borges, stores an enormous amount of information. The Library exists ab aeterno. Wikipedia, a free online encyclopaedia, becomes a modern analogue of such a Library. Information retrieval and ranking of Wikipedia articles become the challenge of modern society. While PageRank highlights very well known nodes with many ingoing links, CheiRank highlights very communicative nodes with many outgoing links. In this way the ranking becomes two-dimensional. Using CheiRank and PageRank we analyze the properties of two-dimensional ranking of all Wikipedia English articles and show that it gives their reliable classification with rich and nontrivial features. Detailed studies are done for countries, universities, personalities, physicists, chess players, Dow-Jones companies and other categories.

  15. Two-Dimensional NMR Lineshape Analysis

    Science.gov (United States)

    Waudby, Christopher A.; Ramos, Andres; Cabrita, Lisa D.; Christodoulou, John

    2016-04-01

    NMR titration experiments are a rich source of structural, mechanistic, thermodynamic and kinetic information on biomolecular interactions, which can be extracted through the quantitative analysis of resonance lineshapes. However, applications of such analyses are frequently limited by peak overlap inherent to complex biomolecular systems. Moreover, systematic errors may arise due to the analysis of two-dimensional data using theoretical frameworks developed for one-dimensional experiments. Here we introduce a more accurate and convenient method for the analysis of such data, based on the direct quantum mechanical simulation and fitting of entire two-dimensional experiments, which we implement in a new software tool, TITAN (TITration ANalysis). We expect the approach, which we demonstrate for a variety of protein-protein and protein-ligand interactions, to be particularly useful in providing information on multi-step or multi-component interactions.

  16. Towards two-dimensional search engines

    CERN Document Server

    Ermann, Leonardo; Shepelyansky, Dima L

    2011-01-01

    We study the statistical properties of various directed networks using ranking of their nodes based on the dominant vectors of the Google matrix known as PageRank and CheiRank. On average PageRank orders nodes proportionally to a number of ingoing links, while CheiRank orders nodes proportionally to a number of outgoing links. In this way the ranking of nodes becomes two-dimensional that paves the way for development of two-dimensional search engines of new type. Information flow properties on PageRank-CheiRank plane are analyzed for networks of British, French and Italian Universities, Wikipedia, Linux Kernel, gene regulation and other networks. Methods of spam links control are also analyzed.

  17. Toward two-dimensional search engines

    Science.gov (United States)

    Ermann, L.; Chepelianskii, A. D.; Shepelyansky, D. L.

    2012-07-01

    We study the statistical properties of various directed networks using ranking of their nodes based on the dominant vectors of the Google matrix known as PageRank and CheiRank. On average PageRank orders nodes proportionally to a number of ingoing links, while CheiRank orders nodes proportionally to a number of outgoing links. In this way, the ranking of nodes becomes two dimensional which paves the way for the development of two-dimensional search engines of a new type. Statistical properties of information flow on the PageRank-CheiRank plane are analyzed for networks of British, French and Italian universities, Wikipedia, Linux Kernel, gene regulation and other networks. A special emphasis is done for British universities networks using the large database publicly available in the UK. Methods of spam links control are also analyzed.

  18. A two-dimensional Dirac fermion microscope

    Science.gov (United States)

    Bøggild, Peter; Caridad, José M.; Stampfer, Christoph; Calogero, Gaetano; Papior, Nick Rübner; Brandbyge, Mads

    2017-06-01

    The electron microscope has been a powerful, highly versatile workhorse in the fields of material and surface science, micro and nanotechnology, biology and geology, for nearly 80 years. The advent of two-dimensional materials opens new possibilities for realizing an analogy to electron microscopy in the solid state. Here we provide a perspective view on how a two-dimensional (2D) Dirac fermion-based microscope can be realistically implemented and operated, using graphene as a vacuum chamber for ballistic electrons. We use semiclassical simulations to propose concrete architectures and design rules of 2D electron guns, deflectors, tunable lenses and various detectors. The simulations show how simple objects can be imaged with well-controlled and collimated in-plane beams consisting of relativistic charge carriers. Finally, we discuss the potential of such microscopes for investigating edges, terminations and defects, as well as interfaces, including external nanoscale structures such as adsorbed molecules, nanoparticles or quantum dots.

  19. A two-dimensional Dirac fermion microscope.

    Science.gov (United States)

    Bøggild, Peter; Caridad, José M; Stampfer, Christoph; Calogero, Gaetano; Papior, Nick Rübner; Brandbyge, Mads

    2017-06-09

    The electron microscope has been a powerful, highly versatile workhorse in the fields of material and surface science, micro and nanotechnology, biology and geology, for nearly 80 years. The advent of two-dimensional materials opens new possibilities for realizing an analogy to electron microscopy in the solid state. Here we provide a perspective view on how a two-dimensional (2D) Dirac fermion-based microscope can be realistically implemented and operated, using graphene as a vacuum chamber for ballistic electrons. We use semiclassical simulations to propose concrete architectures and design rules of 2D electron guns, deflectors, tunable lenses and various detectors. The simulations show how simple objects can be imaged with well-controlled and collimated in-plane beams consisting of relativistic charge carriers. Finally, we discuss the potential of such microscopes for investigating edges, terminations and defects, as well as interfaces, including external nanoscale structures such as adsorbed molecules, nanoparticles or quantum dots.

  20. An adaptive hybrid EnKF-OI scheme for efficient state-parameter estimation of reactive contaminant transport models

    KAUST Repository

    El Gharamti, Mohamad

    2014-09-01

    Reactive contaminant transport models are used by hydrologists to simulate and study the migration and fate of industrial waste in subsurface aquifers. Accurate transport modeling of such waste requires clear understanding of the system\\'s parameters, such as sorption and biodegradation. In this study, we present an efficient sequential data assimilation scheme that computes accurate estimates of aquifer contamination and spatially variable sorption coefficients. This assimilation scheme is based on a hybrid formulation of the ensemble Kalman filter (EnKF) and optimal interpolation (OI) in which solute concentration measurements are assimilated via a recursive dual estimation of sorption coefficients and contaminant state variables. This hybrid EnKF-OI scheme is used to mitigate background covariance limitations due to ensemble under-sampling and neglected model errors. Numerical experiments are conducted with a two-dimensional synthetic aquifer in which cobalt-60, a radioactive contaminant, is leached in a saturated heterogeneous clayey sandstone zone. Assimilation experiments are investigated under different settings and sources of model and observational errors. Simulation results demonstrate that the proposed hybrid EnKF-OI scheme successfully recovers both the contaminant and the sorption rate and reduces their uncertainties. Sensitivity analyses also suggest that the adaptive hybrid scheme remains effective with small ensembles, allowing to reduce the ensemble size by up to 80% with respect to the standard EnKF scheme. © 2014 Elsevier Ltd.

  1. Two-Dimensional Scheduling: A Review

    Directory of Open Access Journals (Sweden)

    Zhuolei Xiao

    2013-07-01

    Full Text Available In this study, we present a literature review, classification schemes and analysis of methodology for scheduling problems on Batch Processing machine (BP with both processing time and job size constraints which is also regarded as Two-Dimensional (TD scheduling. Special attention is given to scheduling problems with non-identical job sizes and processing times, with details of the basic algorithms and other significant results.

  2. Two dimensional fermions in four dimensional YM

    CERN Document Server

    Narayanan, R

    2009-01-01

    Dirac fermions in the fundamental representation of SU(N) live on a two dimensional torus flatly embedded in $R^4$. They interact with a four dimensional SU(N) Yang Mills vector potential preserving a global chiral symmetry at finite $N$. As the size of the torus in units of $\\frac{1}{\\Lambda_{SU(N)}}$ is varied from small to large, the chiral symmetry gets spontaneously broken in the infinite $N$ limit.

  3. Two-dimensional Kagome photonic bandgap waveguide

    DEFF Research Database (Denmark)

    Nielsen, Jens Bo; Søndergaard, Thomas; Libori, Stig E. Barkou;

    2000-01-01

    The transverse-magnetic photonic-bandgap-guidance properties are investigated for a planar two-dimensional (2-D) Kagome waveguide configuration using a full-vectorial plane-wave-expansion method. Single-moded well-localized low-index guided modes are found. The localization of the optical modes...... is investigated with respect to the width of the 2-D Kagome waveguide, and the number of modes existing for specific frequencies and waveguide widths is mapped out....

  4. String breaking in two-dimensional QCD

    CERN Document Server

    Hornbostel, K J

    1999-01-01

    I present results of a numerical calculation of the effects of light quark-antiquark pairs on the linear heavy-quark potential in light-cone quantized two-dimensional QCD. I extract the potential from the Q-Qbar component of the ground-state wavefunction, and observe string breaking at the heavy-light meson pair threshold. I briefly comment on the states responsible for the breaking.

  5. Two-dimensional supramolecular electron spin arrays.

    Science.gov (United States)

    Wäckerlin, Christian; Nowakowski, Jan; Liu, Shi-Xia; Jaggi, Michael; Siewert, Dorota; Girovsky, Jan; Shchyrba, Aneliia; Hählen, Tatjana; Kleibert, Armin; Oppeneer, Peter M; Nolting, Frithjof; Decurtins, Silvio; Jung, Thomas A; Ballav, Nirmalya

    2013-05-07

    A bottom-up approach is introduced to fabricate two-dimensional self-assembled layers of molecular spin-systems containing Mn and Fe ions arranged in a chessboard lattice. We demonstrate that the Mn and Fe spin states can be reversibly operated by their selective response to coordination/decoordination of volatile ligands like ammonia (NH3). Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Two dimensional echocardiographic detection of intraatrial masses.

    Science.gov (United States)

    DePace, N L; Soulen, R L; Kotler, M N; Mintz, G S

    1981-11-01

    With two dimensional echocardiography, a left atrial mass was detected in 19 patients. Of these, 10 patients with rheumatic mitral stenosis had a left atrial thrombus. The distinctive two dimensional echocardiographic features of left atrial thrombus included a mass of irregular nonmobile laminated echos within an enlarged atrial cavity, usually with a broad base of attachment to the posterior left atrial wall. Seven patients had a left atrial myxoma. Usually, the myxoma appeared as a mottled ovoid, sharply demarcated mobile mass attached to the interatrial septum. One patient had a right atrial angiosarcoma that appeared as a nonmobile mass extending from the inferior vena caval-right atrial junction into the right atrial cavity. One patient had a left atrial leiomyosarcoma producing a highly mobile mass attached to the lateral wall of the left atrium. M mode echocardiography detected six of the seven myxomas, one thrombus and neither of the other tumors. Thus, two dimensional echocardiography appears to be the technique of choice in the detection, localization and differentiation of intraatrial masses.

  7. Development of numerical methods for reactive transport; Developpement de methodes numeriques pour le transport reactif

    Energy Technology Data Exchange (ETDEWEB)

    Bouillard, N

    2006-12-15

    When a radioactive waste is stored in deep geological disposals, it is expected that the waste package will be damaged under water action (concrete leaching, iron corrosion). Then, to understand these damaging processes, chemical reactions and solutes transport are modelled. Numerical simulations of reactive transport can be done sequentially by the coupling of several codes. This is the case of the software platform ALLIANCES which is developed jointly with CEA, ANDRA and EDF. Stiff reactions like precipitation-dissolution are crucial for the radioactive waste storage applications, but standard sequential iterative approaches like Picard's fail in solving rapidly reactive transport simulations with such stiff reactions. In the first part of this work, we focus on a simplified precipitation and dissolution process: a system made up with one solid species and two aqueous species moving by diffusion is studied mathematically. It is assumed that a precipitation dissolution reaction occurs in between them, and it is modelled by a discontinuous kinetics law of unknown sign. By using monotonicity properties, the convergence of a finite volume scheme on admissible mesh is proved. Existence of a weak solution is obtained as a by-product of the convergence of the scheme. The second part is dedicated to coupling algorithms which improve Picard's method and can be easily used in an existing coupling code. By extending previous works, we propose a general and adaptable framework to solve nonlinear systems. Indeed by selecting special options, we can either recover well known methods, like nonlinear conjugate gradient methods, or design specific method. This algorithm has two main steps, a preconditioning one and an acceleration one. This algorithm is tested on several examples, some of them being rather academical and others being more realistic. We test it on the 'three species model'' example. Other reactive transport simulations use an external

  8. Transport of reactive colloids and contaminants in groundwater: effect of nonlinear kinetic interactions.

    NARCIS (Netherlands)

    Weerd, van de H.; Leijnse, A.; Riemsdijk, van W.H.

    1998-01-01

    Transport of reactive colloids in groundwater may enhance the transport of contaminants in groundwater. Often, the interpretation of results of transport experiments is not a simple task as both reactions of colloids with the solid matrix and reactions of contaminants with the solid matrix and

  9. Lattice Boltzmann based multicomponent reactive transport model coupled with geochemical solver for scale simulations

    NARCIS (Netherlands)

    Patel, R.A.; Perko, J.; Jaques, D.; De Schutter, G.; Ye, G.; Van Breugel, K.

    2013-01-01

    A Lattice Boltzmann (LB) based reactive transport model intended to capture reactions and solid phase changes occurring at the pore scale is presented. The proposed approach uses LB method to compute multi component mass transport. The LB multi-component transport model is then coupled with the well

  10. Reactive Transport Modeling and Changes in Porosity at Reactive Interfaces in a HLW repository in Clay

    Science.gov (United States)

    Samper, J.; Mon, A.; Montenegro, L.; Naves, A.; Fernández, J.

    2016-12-01

    High-level radioactive waste disposal in a deep geological repository is based on a multibarrier concept which combines natural barriers such as the geological formation and artificial barriers such as metallic containers, bentonite and concrete buffers and sealing materials. The stability and performance of the bentonite barrier could be affected by the corrosion products at the canister-bentonite interface and the hyperalkaline conditions caused by the degradation of concrete at the bentonite-concrete interface. Additionally, the host clay formation could also be affected by the hyperalkaline plume at the concrete-clay interface. Here we present a nonisothermal reactive transport model of the long-term interactions of the compacted bentonite with the corrosion products of a carbon-steel canister and the concrete liner of the engineered barrier of a high-level radioactive waste repository in clay. This problem involves large pH changes with a hyperalkaline high-pH plume, complex mineral dissolution/precipitation patterns, cation exchange reactions and proton surface complexation. These reactions lead to large changes in porosity which can even lead to pore clogging. Model results show that magnetite, the main corrosion product, precipitates and reduces significantly the porosity of the bentonite near the canister. The degradation of the concrete liner leads to the precipitation of secondary minerals and the reduction of the porosity of the bentonite and the clay formation at their interfaces with the concrete liner. The zones affected by pore clogging at the canister-bentonite, bentonite-concrete and concrete-clay interfaces at 1 Ma are equal to 10, 25 and 25 mm thick, respectively. The results of our simulations share many of the features of the models reported by others for engineered barrier systems at similar chemical conditions, including: 1) Narrow alteration zones; and 2) Pore clogging at the canister-bentonite, bentonite-concrete and concrete

  11. The reactive transport benchmark proposed by GdR MoMaS: presentation and first results

    Energy Technology Data Exchange (ETDEWEB)

    Carrayrou, J. [Institut de Mecanique des Fluides et des Solides, UMR ULP-CNRS 7507, 67 - Strasbourg (France); Lagneau, V. [Ecole des Mines de Paris, Centre de Geosciences, 77 - Fontainebleau (France)

    2007-07-01

    We present here the actual context of reactive transport modelling and the major numerical challenges. GdR MoMaS proposes a benchmark on reactive transport. We present this benchmark and some results obtained on it by two reactive transport codes HYTEC and SPECY. (authors)

  12. Weakly disordered two-dimensional Frenkel excitons

    Science.gov (United States)

    Boukahil, A.; Zettili, Nouredine

    2004-03-01

    We report the results of studies of the optical properties of weakly disordered two- dimensional Frenkel excitons in the Coherent Potential Approximation (CPA). An approximate complex Green's function for a square lattice with nearest neighbor interactions is used in the self-consistent equation to determine the coherent potential. It is shown that the Density of States is very much affected by the logarithmic singularities in the Green's function. Our CPA results are in excellent agreement with previous investigations by Schreiber and Toyozawa using the Monte Carlo simulation.

  13. Two-dimensional photonic crystal surfactant detection.

    Science.gov (United States)

    Zhang, Jian-Tao; Smith, Natasha; Asher, Sanford A

    2012-08-07

    We developed a novel two-dimensional (2-D) crystalline colloidal array photonic crystal sensing material for the visual detection of amphiphilic molecules in water. A close-packed polystyrene 2-D array monolayer was embedded in a poly(N-isopropylacrylamide) (PNIPAAm)-based hydrogel film. These 2-D photonic crystals placed on a mirror show intense diffraction that enables them to be used for visual determination of analytes. Binding of surfactant molecules attaches ions to the sensor that swells the PNIPAAm-based hydrogel. The resulting increase in particle spacing red shifts the 2-D diffracted light. Incorporation of more hydrophobic monomers increases the sensitivity to surfactants.

  14. Theory of two-dimensional transformations

    OpenAIRE

    Kanayama, Yutaka J.; Krahn, Gary W.

    1998-01-01

    The article of record may be found at http://dx.doi.org/10.1109/70.720359 Robotics and Automation, IEEE Transactions on This paper proposes a new "heterogeneous" two-dimensional (2D) transformation group ___ to solve motion analysis/planning problems in robotics. In this theory, we use a 3×1 matrix to represent a transformation as opposed to a 3×3 matrix in the homogeneous formulation. First, this theory is as capable as the homogeneous theory, Because of the minimal size, its implement...

  15. Two-dimensional ranking of Wikipedia articles

    CERN Document Server

    Zhirov, A O; Shepelyansky, D L

    2010-01-01

    The Library of Babel, described by Jorge Luis Borges, stores an enormous amount of information. The Library exists {\\it ab aeterno}. Wikipedia, a free online encyclopaedia, becomes a modern analogue of such a Library. Information retrieval and ranking of Wikipedia articles become the challenge of modern society. We analyze the properties of two-dimensional ranking of all Wikipedia English articles and show that it gives their reliable classification with rich and nontrivial features. Detailed studies are done for countries, universities, personalities, physicists, chess players, Dow-Jones companies and other categories.

  16. Mobility anisotropy of two-dimensional semiconductors

    CERN Document Server

    Lang, Haifeng; Liu, Zhirong

    2016-01-01

    The carrier mobility of anisotropic two-dimensional (2D) semiconductors under longitudinal acoustic (LA) phonon scattering was theoretically studied with the deformation potential theory. Based on Boltzmann equation with relaxation time approximation, an analytic formula of intrinsic anisotropic mobility was deduced, which shows that the influence of effective mass to the mobility anisotropy is larger than that of deformation potential constant and elastic modulus. Parameters were collected for various anisotropic 2D materials (black phosphorus, Hittorf's phosphorus, BC$_2$N, MXene, TiS$_3$, GeCH$_3$) to calculate their mobility anisotropy. It was revealed that the anisotropic ratio was overestimated in the past.

  17. Sums of two-dimensional spectral triples

    DEFF Research Database (Denmark)

    Christensen, Erik; Ivan, Cristina

    2007-01-01

    construct a sum of two dimensional modules which reflects some aspects of the topological dimensions of the compact metric space, but this will only give the metric back approximately. At the end we make an explicit computation of the last module for the unit interval in. The metric is recovered exactly......, the Dixmier trace induces a multiple of the Lebesgue integral but the growth of the number of eigenvalues is different from the one found for the standard differential operator on the unit interval....

  18. Binding energy of two-dimensional biexcitons

    DEFF Research Database (Denmark)

    Singh, Jai; Birkedal, Dan; Vadim, Lyssenko;

    1996-01-01

    Using a model structure for a two-dimensional (2D) biexciton confined in a quantum well, it is shown that the form of the Hamiltonian of the 2D biexciton reduces into that of an exciton. The binding energies and Bohr radii of a 2D biexciton in its various internal energy states are derived...... analytically using the fractional dimension approach. The ratio of the binding energy of a 2D biexciton to that of a 2D exciton is found to be 0.228, which agrees very well with the recent experimental value. The results of our approach are compared with those of earlier theories....

  19. Dynamics of film. [two dimensional continua theory

    Science.gov (United States)

    Zak, M.

    1979-01-01

    The general theory of films as two-dimensional continua are elaborated upon. As physical realizations of such a model this paper examines: inextensible films, elastic films, and nets. The suggested dynamic equations have enabled us to find out the characteristic speeds of wave propagation of the invariants of external and internal geometry and formulate the criteria of instability of their shape. Also included herein is a detailed account of the equation describing the film motions beyond the limits of the shape stability accompanied by the formation of wrinkles. The theory is illustrated by examples.

  20. Two-dimensional gauge theoretic supergravities

    Science.gov (United States)

    Cangemi, D.; Leblanc, M.

    1994-05-01

    We investigate two-dimensional supergravity theories, which can be built from a topological and gauge invariant action defined on an ordinary surface. One is the N = 1 supersymmetric extension of the Jackiw-Teitelboim model presented by Chamseddine in a superspace formalism. We complement the proof of Montano, Aoaki and Sonnenschein that this extension is topological and gauge invariant, based on the graded de Sitter algebra. Not only do the equations of motion correspond to the supergravity ones and do gauge transformations encompass local supersymmetries, but we also identify the ∫-theory with the superfield formalism action written by Chamseddine. Next, we show that the N = 1 supersymmetric extension of string-inspired two-dimensional dilaton gravity put forward by Park and Strominger cannot be written as a ∫-theory. As an alternative, we propose two topological and gauge theories that are based on a graded extension of the extended Poincaré algebra and satisfy a vanishing-curvature condition. Both models are supersymmetric extensions of the string-inspired dilaton gravity.

  1. Two-Dimensional Theory of Scientific Representation

    Directory of Open Access Journals (Sweden)

    A Yaghmaie

    2013-03-01

    Full Text Available Scientific representation is an interesting topic for philosophers of science, many of whom have recently explored it from different points of view. There are currently two competing approaches to the issue: cognitive and non-cognitive, and each of them claims its own merits over the other. This article tries to provide a hybrid theory of scientific representation, called Two-Dimensional Theory of Scientific Representation, which has the merits of the two accounts and is free of their shortcomings. To do this, we will argue that although scientific representation needs to use the notion of intentionality, such a notion is defined and realized in a simply structural form contrary to what cognitive approach says about intentionality. After a short introduction, the second part of the paper is devoted to introducing theories of scientific representation briefly. In the third part, the structural accounts of representation will be criticized. The next step is to introduce the two-dimensional theory which involves two key components: fixing and structural fitness. It will be argued that fitness is an objective and non-intentional relation, while fixing is intentional.

  2. Two-dimensional shape memory graphene oxide

    Science.gov (United States)

    Chang, Zhenyue; Deng, Junkai; Chandrakumara, Ganaka G.; Yan, Wenyi; Liu, Jefferson Zhe

    2016-06-01

    Driven by the increasing demand for micro-/nano-technologies, stimuli-responsive shape memory materials at nanoscale have recently attracted great research interests. However, by reducing the size of conventional shape memory materials down to approximately nanometre range, the shape memory effect diminishes. Here, using density functional theory calculations, we report the discovery of a shape memory effect in a two-dimensional atomically thin graphene oxide crystal with ordered epoxy groups, namely C8O. A maximum recoverable strain of 14.5% is achieved as a result of reversible phase transition between two intrinsically stable phases. Our calculations conclude co-existence of the two stable phases in a coherent crystal lattice, giving rise to the possibility of constructing multiple temporary shapes in a single material, thus, enabling highly desirable programmability. With an atomic thickness, excellent shape memory mechanical properties and electric field stimulus, the discovery of a two-dimensional shape memory graphene oxide opens a path for the development of exceptional micro-/nano-electromechanical devices.

  3. A New Paradigm of Modeling Two-Dimensional Overland Watershed Water Quality

    Science.gov (United States)

    Zhang, F.; Yeh, G. G.

    2003-12-01

    This paper presents the development of sediment and reactive chemical transport under non-isotherm condition in two-dimensional overland watershed system. Through decomposition of reaction network via Gauss-Jordan column reduction, (a) redundant fast reactions and irrelevant kinetic reactions are removed from the system; (b) fast reactions and slow reactions can be decoupled; (c) species reaction equations are transformed into two sets: equilibrium species mass action equations and kinetic-variable reaction equations. This enable our model to include as many types of reactions as possible, choose kinetic-variables instead of chemical species as primary dependent variables, and simplify the reaction terms in transport equations. In our model two options are provided to solve the advection-dispersion transport equation: Lagrangian-Eulerian approach, and Finite Element Method in Conservative Form, and three options to deal with the reaction term: Fully-implicit, Predictor-corrector, and Operator-splitting methods. The production-consumption rate of chemical species is determined by reaction-based formulations. One example problem is employed to demonstrate the design capability of the model and the robustness of the numerical simulations.

  4. Existence and Stability of Two-Dimensional Compact-Like Discrete Breathers in Discrete Two-Dimensional Monatomic Square Lattices

    Institute of Scientific and Technical Information of China (English)

    XU Quan; TIAN Qiang

    2007-01-01

    Two-dimensional compact-like discrete breathers in discrete two-dimensional monatomic square lattices are investigated by discussing a generafized discrete two-dimensional monatomic model.It is proven that the twodimensional compact-like discrete breathers exist not only in two-dimensional soft Ф4 potentials but also in hard two-dimensional Ф4 potentials and pure two-dimensional K4 lattices.The measurements of the two-dimensional compact-like discrete breather cores in soft and hard two-dimensional Ф4 potential are determined by coupling parameter K4,while those in pure two-dimensional K4 lattices have no coupling with parameter K4.The stabilities of the two-dimensional compact-like discrete breathers correlate closely to the coupling parameter K4 and the boundary condition of lattices.

  5. Uranium transport in a crushed granodiorite: experiments and reactive transport modeling.

    Science.gov (United States)

    Dittrich, T M; Reimus, P W

    2015-01-01

    The primary objective of this study was to develop and demonstrate an experimental method to refine and better parameterize process models for reactive contaminant transport in aqueous subsurface environments and to reduce conservatism in such models without attempting to fully describe the geochemical system. Uranium was used as an example of a moderately adsorbing contaminant because of its relevance in geologic disposal of spent nuclear fuel. A fractured granodiorite from the Grimsel Test Site (GTS) in Switzerland was selected because this system has been studied extensively and field experiments have been conducted with radionuclides including uranium. We evaluated the role of pH, porous media size fraction, and flow interruptions on uranium transport. Rock cores drilled from the GTS were shipped to Los Alamos National Laboratory, characterized by x-ray diffraction and optical microscopy, and used in uranium batch sorption and column breakthrough experiments. A synthetic water was prepared that represented the porewater that would be present after groundwater interacts with bentonite backfill material near a nuclear waste package. Uranium was conservatively transported at pH8.8. Significant adsorption and subsequent desorption was observed at pH ~7, with long desorption tails resulting after switching the column injection solution to uranium-free groundwater. Our experiments were designed to better interrogate this slow desorption behavior. A three-site model predicted sorption rate constants for a pH7.2 solution with a 75-150 μm granodiorite fraction to be 3.5, 0.012, and 0.012 mL/g-h for the forward reactions and 0.49, 0.0025, and 0.001 h(-1) for the reverse reactions. Surface site densities were 1.3, 0.042, and 0.042 μmol/g for the first, second, and third sites, respectively. 10-year simulations show that including a slow binding site increases the arrival time of a uranium pulse by ~70%.

  6. Transport phenomena of reactive fluid flow in heterogeneous combustion processes.

    Science.gov (United States)

    Hung, W. S. Y.; Chen, C. S.; Haviland, J. K.

    1972-01-01

    A previously developed computer program was used to model two transient hybrid combustion processes involving tubes of solid Plexiglas. In the first study, representing combustion of a hybrid rocket, the oxidizing gas was oxygen, and calculations were continued sufficiently long to obtain steady-state values. Systematic variations were made in reaction rate constant, mass flow rate, and pressure, alternatively using constant and temperature dependent regression rate models for the fuel surface. Consistent results were obtained, as is evidenced by the values for the mass function of the reaction product and the flame temperature, for which plots are supplied. In the second study, fire initiation in a duct was studied, with an air mixture as the oxidizing gas. It was demonstrated that a satisfactory flame spread mechanism could be reproduced on the computer. In both of the above applications, the general, transient, two-dimensional conservation equations were represented, together with chemical reactions, solid-fuel interface conditions, and heat conduction in the solid fuel.

  7. Optimal excitation of two dimensional Holmboe instabilities

    CERN Document Server

    Constantinou, Navid C

    2010-01-01

    Highly stratified shear layers are rendered unstable even at high stratifications by Holmboe instabilities when the density stratification is concentrated in a small region of the shear layer. These instabilities may cause mixing in highly stratified environments. However these instabilities occur in tongues for a limited range of parameters. We perform Generalized Stability analysis of the two dimensional perturbation dynamics of an inviscid Boussinesq stratified shear layer and show that Holmboe instabilities at high Richardson numbers can be excited by their adjoints at amplitudes that are orders of magnitude larger than by introducing initially the unstable mode itself. We also determine the optimal growth that obtains for parameters for which there is no instability. We find that there is potential for large transient growth regardless of whether the background flow is exponentially stable or not and that the characteristic structure of the Holmboe instability asymptotically emerges for parameter values ...

  8. Probabilistic Universality in two-dimensional Dynamics

    CERN Document Server

    Lyubich, Mikhail

    2011-01-01

    In this paper we continue to explore infinitely renormalizable H\\'enon maps with small Jacobian. It was shown in [CLM] that contrary to the one-dimensional intuition, the Cantor attractor of such a map is non-rigid and the conjugacy with the one-dimensional Cantor attractor is at most 1/2-H\\"older. Another formulation of this phenomenon is that the scaling structure of the H\\'enon Cantor attractor differs from its one-dimensional counterpart. However, in this paper we prove that the weight assigned by the canonical invariant measure to these bad spots tends to zero on microscopic scales. This phenomenon is called {\\it Probabilistic Universality}. It implies, in particular, that the Hausdorff dimension of the canonical measure is universal. In this way, universality and rigidity phenomena of one-dimensional dynamics assume a probabilistic nature in the two-dimensional world.

  9. Two-dimensional position sensitive neutron detector

    Indian Academy of Sciences (India)

    A M Shaikh; S S Desai; A K Patra

    2004-08-01

    A two-dimensional position sensitive neutron detector has been developed. The detector is a 3He + Kr filled multiwire proportional counter with charge division position readout and has a sensitive area of 345 mm × 345 mm, pixel size 5 mm × 5 mm, active depth 25 mm and is designed for efficiency of 70% for 4 Å neutrons. The detector is tested with 0.5 bar 3He + 1.5 bar krypton gas mixture in active chamber and 2 bar 4He in compensating chamber. The pulse height spectrum recorded at an anode potential of 2000 V shows energy resolution of ∼ 25% for the 764 keV peak. A spatial resolution of 8 mm × 6 mm is achieved. The detector is suitable for SANS studies in the range of 0.02–0.25 Å-1.

  10. Two-dimensional heterostructures for energy storage

    Science.gov (United States)

    Pomerantseva, Ekaterina; Gogotsi, Yury

    2017-07-01

    Two-dimensional (2D) materials provide slit-shaped ion diffusion channels that enable fast movement of lithium and other ions. However, electronic conductivity, the number of intercalation sites, and stability during extended cycling are also crucial for building high-performance energy storage devices. While individual 2D materials, such as graphene, show some of the required properties, none of them can offer all properties needed to maximize energy density, power density, and cycle life. Here we argue that stacking different 2D materials into heterostructured architectures opens an opportunity to construct electrodes that would combine the advantages of the individual building blocks while eliminating the associated shortcomings. We discuss characteristics of common 2D materials and provide examples of 2D heterostructured electrodes that showed new phenomena leading to superior electrochemical performance. We also consider electrode fabrication approaches and finally outline future steps to create 2D heterostructured electrodes that could greatly expand current energy storage technologies.

  11. Rationally synthesized two-dimensional polymers.

    Science.gov (United States)

    Colson, John W; Dichtel, William R

    2013-06-01

    Synthetic polymers exhibit diverse and useful properties and influence most aspects of modern life. Many polymerization methods provide linear or branched macromolecules, frequently with outstanding functional-group tolerance and molecular weight control. In contrast, extending polymerization strategies to two-dimensional periodic structures is in its infancy, and successful examples have emerged only recently through molecular framework, surface science and crystal engineering approaches. In this Review, we describe successful 2D polymerization strategies, as well as seminal research that inspired their development. These methods include the synthesis of 2D covalent organic frameworks as layered crystals and thin films, surface-mediated polymerization of polyfunctional monomers, and solid-state topochemical polymerizations. Early application targets of 2D polymers include gas separation and storage, optoelectronic devices and membranes, each of which might benefit from predictable long-range molecular organization inherent to this macromolecular architecture.

  12. Janus Spectra in Two-Dimensional Flows

    Science.gov (United States)

    Liu, Chien-Chia; Cerbus, Rory T.; Chakraborty, Pinaki

    2016-09-01

    In large-scale atmospheric flows, soap-film flows, and other two-dimensional flows, the exponent of the turbulent energy spectra, α , may theoretically take either of two distinct values, 3 or 5 /3 , but measurements downstream of obstacles have invariably revealed α =3 . Here we report experiments on soap-film flows where downstream of obstacles there exists a sizable interval in which α transitions from 3 to 5 /3 for the streamwise fluctuations but remains equal to 3 for the transverse fluctuations, as if two mutually independent turbulent fields of disparate dynamics were concurrently active within the flow. This species of turbulent energy spectra, which we term the Janus spectra, has never been observed or predicted theoretically. Our results may open up new vistas in the study of turbulence and geophysical flows.

  13. Local doping of two-dimensional materials

    Science.gov (United States)

    Wong, Dillon; Velasco, Jr, Jairo; Ju, Long; Kahn, Salman; Lee, Juwon; Germany, Chad E.; Zettl, Alexander K.; Wang, Feng; Crommie, Michael F.

    2016-09-20

    This disclosure provides systems, methods, and apparatus related to locally doping two-dimensional (2D) materials. In one aspect, an assembly including a substrate, a first insulator disposed on the substrate, a second insulator disposed on the first insulator, and a 2D material disposed on the second insulator is formed. A first voltage is applied between the 2D material and the substrate. With the first voltage applied between the 2D material and the substrate, a second voltage is applied between the 2D material and a probe positioned proximate the 2D material. The second voltage between the 2D material and the probe is removed. The first voltage between the 2D material and the substrate is removed. A portion of the 2D material proximate the probe when the second voltage was applied has a different electron density compared to a remainder of the 2D material.

  14. Two-dimensional fourier transform spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    DeFlores, Lauren; Tokmakoff, Andrei

    2016-10-25

    The present invention relates to a system and methods for acquiring two-dimensional Fourier transform (2D FT) spectra. Overlap of a collinear pulse pair and probe induce a molecular response which is collected by spectral dispersion of the signal modulated probe beam. Simultaneous collection of the molecular response, pulse timing and characteristics permit real time phasing and rapid acquisition of spectra. Full spectra are acquired as a function of pulse pair timings and numerically transformed to achieve the full frequency-frequency spectrum. This method demonstrates the ability to acquire information on molecular dynamics, couplings and structure in a simple apparatus. Multi-dimensional methods can be used for diagnostic and analytical measurements in the biological, biomedical, and chemical fields.

  15. Two-dimensional fourier transform spectrometer

    Science.gov (United States)

    DeFlores, Lauren; Tokmakoff, Andrei

    2013-09-03

    The present invention relates to a system and methods for acquiring two-dimensional Fourier transform (2D FT) spectra. Overlap of a collinear pulse pair and probe induce a molecular response which is collected by spectral dispersion of the signal modulated probe beam. Simultaneous collection of the molecular response, pulse timing and characteristics permit real time phasing and rapid acquisition of spectra. Full spectra are acquired as a function of pulse pair timings and numerically transformed to achieve the full frequency-frequency spectrum. This method demonstrates the ability to acquire information on molecular dynamics, couplings and structure in a simple apparatus. Multi-dimensional methods can be used for diagnostic and analytical measurements in the biological, biomedical, and chemical fields.

  16. FACE RECOGNITION USING TWO DIMENSIONAL LAPLACIAN EIGENMAP

    Institute of Scientific and Technical Information of China (English)

    Chen Jiangfeng; Yuan Baozong; Pei Bingnan

    2008-01-01

    Recently,some research efforts have shown that face images possibly reside on a nonlinear sub-manifold. Though Laplacianfaces method considered the manifold structures of the face images,it has limits to solve face recognition problem. This paper proposes a new feature extraction method,Two Dimensional Laplacian EigenMap (2DLEM),which especially considers the manifold structures of the face images,and extracts the proper features from face image matrix directly by using a linear transformation. As opposed to Laplacianfaces,2DLEM extracts features directly from 2D images without a vectorization preprocessing. To test 2DLEM and evaluate its performance,a series of ex-periments are performed on the ORL database and the Yale database. Moreover,several experiments are performed to compare the performance of three 2D methods. The experiments show that 2DLEM achieves the best performance.

  17. Equivalency of two-dimensional algebras

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Gildemar Carneiro dos; Pomponet Filho, Balbino Jose S. [Universidade Federal da Bahia (UFBA), BA (Brazil). Inst. de Fisica

    2011-07-01

    Full text: Let us consider a vector z = xi + yj over the field of real numbers, whose basis (i,j) satisfy a given algebra. Any property of this algebra will be reflected in any function of z, so we can state that the knowledge of the properties of an algebra leads to more general conclusions than the knowledge of the properties of a function. However structural properties of an algebra do not change when this algebra suffers a linear transformation, though the structural constants defining this algebra do change. We say that two algebras are equivalent to each other whenever they are related by a linear transformation. In this case, we have found that some relations between the structural constants are sufficient to recognize whether or not an algebra is equivalent to another. In spite that the basis transform linearly, the structural constants change like a third order tensor, but some combinations of these tensors result in a linear transformation, allowing to write the entries of the transformation matrix as function of the structural constants. Eventually, a systematic way to find the transformation matrix between these equivalent algebras is obtained. In this sense, we have performed the thorough classification of associative commutative two-dimensional algebras, and find that even non-division algebra may be helpful in solving non-linear dynamic systems. The Mandelbrot set was used to have a pictorial view of each algebra, since equivalent algebras result in the same pattern. Presently we have succeeded in classifying some non-associative two-dimensional algebras, a task more difficult than for associative one. (author)

  18. PHT3D-UZF: A reactive transport model for variably-saturated porous media

    Science.gov (United States)

    Wu, Ming Zhi; Post, Vincent E. A.; Salmon, S. Ursula; Morway, Eric; Prommer, H.

    2016-01-01

    A modified version of the MODFLOW/MT3DMS-based reactive transport model PHT3D was developed to extend current reactive transport capabilities to the variably-saturated component of the subsurface system and incorporate diffusive reactive transport of gaseous species. Referred to as PHT3D-UZF, this code incorporates flux terms calculated by MODFLOW's unsaturated-zone flow (UZF1) package. A volume-averaged approach similar to the method used in UZF-MT3DMS was adopted. The PHREEQC-based computation of chemical processes within PHT3D-UZF in combination with the analytical solution method of UZF1 allows for comprehensive reactive transport investigations (i.e., biogeochemical transformations) that jointly involve saturated and unsaturated zone processes. Intended for regional-scale applications, UZF1 simulates downward-only flux within the unsaturated zone. The model was tested by comparing simulation results with those of existing numerical models. The comparison was performed for several benchmark problems that cover a range of important hydrological and reactive transport processes. A 2D simulation scenario was defined to illustrate the geochemical evolution following dewatering in a sandy acid sulfate soil environment. Other potential applications include the simulation of biogeochemical processes in variably-saturated systems that track the transport and fate of agricultural pollutants, nutrients, natural and xenobiotic organic compounds and micropollutants such as pharmaceuticals, as well as the evolution of isotope patterns.

  19. Reactive transport modeling for Cs retention: from batch to field experiments

    Science.gov (United States)

    De Pourcq, K.; Ayora, C.; Carrera, J.; García-Gutiérrez, M.; Missana, T.; Mingarro, M.

    2012-04-01

    A Permeable Reactive Barrier has been designed to treat 137Cs polluted groundwater. In order to check both reactivity and permeability, laboratory batch and column tests combined with reactive transport modeling have been performed. The trapping mechanism is based on the sorption of cesium mainly on illite-containing clays. Batch experiments were conducted to obtain the partition coefficients (Kd) of different clay samples in solutions with different potassium concentration. A clear correlation of Kd values with potassium content was observed. The results were modeled with a cation-exchange model. The permeability of the reactive material is provided by the dispersion of the clay on a matrix of wooden shavings. Constant head tests allowed obtaining permeability values. Several column experiments with different flow rates were conducted to confirm the 137Cs retention under different conditions. A blind 1D reactive transport model based on the cation-exchange model was able to predict reasonably well the results of column experiments. The reactive transport model, validated with the column experiments, was used to investigate the performance and duration of 1m thick barrier under different scenarios (flow, clay proportion, 137Cs and K concentration). As expected, the sensitivity tests proved that the retention capacity of dissolved 137Cs in groundwater depends linearly on the amount of clay used in the filling material. As well, the operation time increases linearly when decreasing the flow rate. Finally, the concentration of potassium in inflow water has a remarkable and non-linear influence in the retention of 137Cs. Very high concentrations of potassium are the greatest threat and can lead to the unfeasibility of a permeable reactive barrier. Due to the Cs-K competition, the barrier is comparatively more efficient to treat high concentrations of 137Cs. Up to now, preliminary results from a field scale experiment have confirmed the reactivity and permeability

  20. On numerical evaluation of two-dimensional phase integrals

    DEFF Research Database (Denmark)

    Lessow, H.; Rusch, W.; Schjær-Jacobsen, Hans

    1975-01-01

    The relative advantages of several common numerical integration algorithms used in computing two-dimensional phase integrals are evaluated.......The relative advantages of several common numerical integration algorithms used in computing two-dimensional phase integrals are evaluated....

  1. Comparative Skeletal Muscle Proteomics Using Two-Dimensional Gel Electrophoresis.

    Science.gov (United States)

    Murphy, Sandra; Dowling, Paul; Ohlendieck, Kay

    2016-09-09

    The pioneering work by Patrick H. O'Farrell established two-dimensional gel electrophoresis as one of the most important high-resolution protein separation techniques of modern biochemistry (Journal of Biological Chemistry1975, 250, 4007-4021). The application of two-dimensional gel electrophoresis has played a key role in the systematic identification and detailed characterization of the protein constituents of skeletal muscles. Protein changes during myogenesis, muscle maturation, fibre type specification, physiological muscle adaptations and natural muscle aging were studied in depth by the original O'Farrell method or slightly modified gel electrophoretic techniques. Over the last 40 years, the combined usage of isoelectric focusing in the first dimension and sodium dodecyl sulfate polyacrylamide slab gel electrophoresis in the second dimension has been successfully employed in several hundred published studies on gel-based skeletal muscle biochemistry. This review focuses on normal and physiologically challenged skeletal muscle tissues and outlines key findings from mass spectrometry-based muscle proteomics, which was instrumental in the identification of several thousand individual protein isoforms following gel electrophoretic separation. These muscle-associated protein species belong to the diverse group of regulatory and contractile proteins of the acto-myosin apparatus that forms the sarcomere, cytoskeletal proteins, metabolic enzymes and transporters, signaling proteins, ion-handling proteins, molecular chaperones and extracellular matrix proteins.

  2. Confinement and dynamical regulation in two-dimensional convective turbulence

    DEFF Research Database (Denmark)

    Bian, N.H.; Garcia, O.E.

    2003-01-01

    In this work the nature of confinement improvement implied by the self-consistent generation of mean flows in two-dimensional convective turbulence is studied. The confinement variations are linked to two distinct regulation mechanisms which are also shown to be at the origin of low-frequency bur......In this work the nature of confinement improvement implied by the self-consistent generation of mean flows in two-dimensional convective turbulence is studied. The confinement variations are linked to two distinct regulation mechanisms which are also shown to be at the origin of low......-frequency bursting in the fluctuation level and the convective heat flux integral, both resulting in a state of large-scale intermittency. The first one involves the control of convective transport by sheared mean flows. This regulation relies on the conservative transfer of kinetic energy from tilted fluctuations...... to the mean component of the flow. Bursting can also result from the quasi-linear modification of the linear instability drive which is the mean pressure gradient. For each bursting process the relevant zero-dimensional model equations are given. These are finally coupled in a minimal model of convection...

  3. Two-dimensional gas of massless Dirac fermions in graphene.

    Science.gov (United States)

    Novoselov, K S; Geim, A K; Morozov, S V; Jiang, D; Katsnelson, M I; Grigorieva, I V; Dubonos, S V; Firsov, A A

    2005-11-10

    Quantum electrodynamics (resulting from the merger of quantum mechanics and relativity theory) has provided a clear understanding of phenomena ranging from particle physics to cosmology and from astrophysics to quantum chemistry. The ideas underlying quantum electrodynamics also influence the theory of condensed matter, but quantum relativistic effects are usually minute in the known experimental systems that can be described accurately by the non-relativistic Schrödinger equation. Here we report an experimental study of a condensed-matter system (graphene, a single atomic layer of carbon) in which electron transport is essentially governed by Dirac's (relativistic) equation. The charge carriers in graphene mimic relativistic particles with zero rest mass and have an effective 'speed of light' c* approximately 10(6) m s(-1). Our study reveals a variety of unusual phenomena that are characteristic of two-dimensional Dirac fermions. In particular we have observed the following: first, graphene's conductivity never falls below a minimum value corresponding to the quantum unit of conductance, even when concentrations of charge carriers tend to zero; second, the integer quantum Hall effect in graphene is anomalous in that it occurs at half-integer filling factors; and third, the cyclotron mass m(c) of massless carriers in graphene is described by E = m(c)c*2. This two-dimensional system is not only interesting in itself but also allows access to the subtle and rich physics of quantum electrodynamics in a bench-top experiment.

  4. Comparative Skeletal Muscle Proteomics Using Two-Dimensional Gel Electrophoresis

    Directory of Open Access Journals (Sweden)

    Sandra Murphy

    2016-09-01

    Full Text Available The pioneering work by Patrick H. O’Farrell established two-dimensional gel electrophoresis as one of the most important high-resolution protein separation techniques of modern biochemistry (Journal of Biological Chemistry 1975, 250, 4007–4021. The application of two-dimensional gel electrophoresis has played a key role in the systematic identification and detailed characterization of the protein constituents of skeletal muscles. Protein changes during myogenesis, muscle maturation, fibre type specification, physiological muscle adaptations and natural muscle aging were studied in depth by the original O’Farrell method or slightly modified gel electrophoretic techniques. Over the last 40 years, the combined usage of isoelectric focusing in the first dimension and sodium dodecyl sulfate polyacrylamide slab gel electrophoresis in the second dimension has been successfully employed in several hundred published studies on gel-based skeletal muscle biochemistry. This review focuses on normal and physiologically challenged skeletal muscle tissues and outlines key findings from mass spectrometry-based muscle proteomics, which was instrumental in the identification of several thousand individual protein isoforms following gel electrophoretic separation. These muscle-associated protein species belong to the diverse group of regulatory and contractile proteins of the acto-myosin apparatus that forms the sarcomere, cytoskeletal proteins, metabolic enzymes and transporters, signaling proteins, ion-handling proteins, molecular chaperones and extracellular matrix proteins.

  5. Transient transport of reactive and non-reactive solutes in groundwater

    Science.gov (United States)

    Fares, Y. R.; Giacobbe, D.

    2004-06-01

    A numerical model capable of predicting the transient changes in concentration levels of a solute along a homogeneous aquifer system is presented. The advection-dispersion equation (ADE) is utilised in predicting the concentration levels for cases of continuous and instantaneous release modes. The Crank-Nicholson equation is employed in the presented finite difference model. The numerical calculations are carried out using the implicit Gauss-Seidel method with over- and under-relaxation coefficients depending on the state of convergence. The correction terms resulting from the removal of zero- and first-order truncation errors in the ADE with a reaction term have significantly improved the performance of the numerical scheme. Comparisons between the numerically predicted concentrations with analytical and measured values were carried out for cases of non-reactive (tracer) and reactive (organic) solutes with continuous injection in homogeneous isotropic soils. The overshooting problems experienced in the numerical calculations are minimised by refining the finite grid size. The analysis of results has shown that the model can produce reliable simulations for cases of non-reactive solutes. While for the case of solutes undergoing adsorption, accurate concentrations can be predicted by adjusting the influent pore water velocity through the use of a retardation factor, which is suitable for aquifers with low organic carbon content and undergoing hydrophobic partitioning.

  6. Janus spectra in two-dimensional flows

    CERN Document Server

    Liu, Chien-Chia; Chakraborty, Pinaki

    2016-01-01

    In theory, large-scale atmospheric flows, soap-film flows and other two-dimensional flows may host two distinct types of turbulent energy spectra---in one, $\\alpha$, the spectral exponent of velocity fluctuations, equals $3$ and the fluctuations are dissipated at the small scales, and in the other, $\\alpha=5/3$ and the fluctuations are dissipated at the large scales---but measurements downstream of obstacles have invariably revealed $\\alpha = 3$. Here we report experiments on soap-film flows where downstream of obstacles there exists a sizable interval in which $\\alpha$ has transitioned from $3$ to $5/3$ for the streamwise fluctuations but remains equal to $3$ for the transverse fluctuations, as if two mutually independent turbulent fields of disparate dynamics were concurrently active within the flow. This species of turbulent energy spectra, which we term the Janus spectra, has never been observed or predicted theoretically. Our results may open up new vistas in the study of turbulence and geophysical flows...

  7. Comparative Two-Dimensional Fluorescence Gel Electrophoresis.

    Science.gov (United States)

    Ackermann, Doreen; König, Simone

    2018-01-01

    Two-dimensional comparative fluorescence gel electrophoresis (CoFGE) uses an internal standard to increase the reproducibility of coordinate assignment for protein spots visualized on 2D polyacrylamide gels. This is particularly important for samples, which need to be compared without the availability of replicates and thus cannot be studied using differential gel electrophoresis (DIGE). CoFGE corrects for gel-to-gel variability by co-running with the sample proteome a standardized marker grid of 80-100 nodes, which is formed by a set of purified proteins. Differentiation of reference and analyte is possible by the use of two fluorescent dyes. Variations in the y-dimension (molecular weight) are corrected by the marker grid. For the optional control of the x-dimension (pI), azo dyes can be used. Experiments are possible in both vertical and horizontal (h) electrophoresis devices, but hCoFGE is much easier to perform. For data analysis, commercial software capable of warping can be adapted.

  8. Two-dimensional hexagonal semiconductors beyond graphene

    Science.gov (United States)

    Nguyen, Bich Ha; Hieu Nguyen, Van

    2016-12-01

    The rapid and successful development of the research on graphene and graphene-based nanostructures has been substantially enlarged to include many other two-dimensional hexagonal semiconductors (THS): phosphorene, silicene, germanene, hexagonal boron nitride (h-BN) and transition metal dichalcogenides (TMDCs) such as MoS2, MoSe2, WS2, WSe2 as well as the van der Waals heterostructures of various THSs (including graphene). The present article is a review of recent works on THSs beyond graphene and van der Waals heterostructures composed of different pairs of all THSs. One among the priorities of new THSs compared to graphene is the presence of a non-vanishing energy bandgap which opened up the ability to fabricate a large number of electronic, optoelectronic and photonic devices on the basis of these new materials and their van der Waals heterostructures. Moreover, a significant progress in the research on TMDCs was the discovery of valley degree of freedom. The results of research on valley degree of freedom and the development of a new technology based on valley degree of freedom-valleytronics are also presented. Thus the scientific contents of the basic research and practical applications os THSs are very rich and extremely promising.

  9. Two-Dimensional Phononic Crystals: Disorder Matters.

    Science.gov (United States)

    Wagner, Markus R; Graczykowski, Bartlomiej; Reparaz, Juan Sebastian; El Sachat, Alexandros; Sledzinska, Marianna; Alzina, Francesc; Sotomayor Torres, Clivia M

    2016-09-14

    The design and fabrication of phononic crystals (PnCs) hold the key to control the propagation of heat and sound at the nanoscale. However, there is a lack of experimental studies addressing the impact of order/disorder on the phononic properties of PnCs. Here, we present a comparative investigation of the influence of disorder on the hypersonic and thermal properties of two-dimensional PnCs. PnCs of ordered and disordered lattices are fabricated of circular holes with equal filling fractions in free-standing Si membranes. Ultrafast pump and probe spectroscopy (asynchronous optical sampling) and Raman thermometry based on a novel two-laser approach are used to study the phononic properties in the gigahertz (GHz) and terahertz (THz) regime, respectively. Finite element method simulations of the phonon dispersion relation and three-dimensional displacement fields furthermore enable the unique identification of the different hypersonic vibrations. The increase of surface roughness and the introduction of short-range disorder are shown to modify the phonon dispersion and phonon coherence in the hypersonic (GHz) range without affecting the room-temperature thermal conductivity. On the basis of these findings, we suggest a criteria for predicting phonon coherence as a function of roughness and disorder.

  10. Radiation effects on two-dimensional materials

    Energy Technology Data Exchange (ETDEWEB)

    Walker, R.C. II; Robinson, J.A. [Department of Materials Science, Penn State, University Park, PA (United States); Center for Two-Dimensional Layered Materials, Penn State, University Park, PA (United States); Shi, T. [Department of Mechanical and Nuclear Engineering, Penn State, University Park, PA (United States); Department of Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, MI (United States); Silva, E.C. [GlobalFoundries, Malta, NY (United States); Jovanovic, I. [Department of Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, MI (United States)

    2016-12-15

    The effects of electromagnetic and particle irradiation on two-dimensional materials (2DMs) are discussed in this review. Radiation creates defects that impact the structure and electronic performance of materials. Determining the impact of these defects is important for developing 2DM-based devices for use in high-radiation environments, such as space or nuclear reactors. As such, most experimental studies have been focused on determining total ionizing dose damage to 2DMs and devices. Total dose experiments using X-rays, gamma rays, electrons, protons, and heavy ions are summarized in this review. We briefly discuss the possibility of investigating single event effects in 2DMs based on initial ion beam irradiation experiments and the development of 2DM-based integrated circuits. Additionally, beneficial uses of irradiation such as ion implantation to dope materials or electron-beam and helium-beam etching to shape materials have begun to be used on 2DMs and are reviewed as well. For non-ionizing radiation, such as low-energy photons, we review the literature on 2DM-based photo-detection from terahertz to UV. The majority of photo-detecting devices operate in the visible and UV range, and for this reason they are the focus of this review. However, we review the progress in developing 2DMs for detecting infrared and terahertz radiation. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. Photodetectors based on two dimensional materials

    Science.gov (United States)

    Zheng, Lou; Zhongzhu, Liang; Guozhen, Shen

    2016-09-01

    Two-dimensional (2D) materials with unique properties have received a great deal of attention in recent years. This family of materials has rapidly established themselves as intriguing building blocks for versatile nanoelectronic devices that offer promising potential for use in next generation optoelectronics, such as photodetectors. Furthermore, their optoelectronic performance can be adjusted by varying the number of layers. They have demonstrated excellent light absorption, enabling ultrafast and ultrasensitive detection of light in photodetectors, especially in their single-layer structure. Moreover, due to their atomic thickness, outstanding mechanical flexibility, and large breaking strength, these materials have been of great interest for use in flexible devices and strain engineering. Toward that end, several kinds of photodetectors based on 2D materials have been reported. Here, we present a review of the state-of-the-art in photodetectors based on graphene and other 2D materials, such as the graphene, transition metal dichalcogenides, and so on. Project supported by the National Natural Science Foundation of China (Nos. 61377033, 61574132, 61504136) and the State Key Laboratory of Applied Optics, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences.

  12. Asymptotics for Two-dimensional Atoms

    DEFF Research Database (Denmark)

    Nam, Phan Thanh; Portmann, Fabian; Solovej, Jan Philip

    2012-01-01

    We prove that the ground state energy of an atom confined to two dimensions with an infinitely heavy nucleus of charge $Z>0$ and $N$ quantum electrons of charge -1 is $E(N,Z)=-{1/2}Z^2\\ln Z+(E^{\\TF}(\\lambda)+{1/2}c^{\\rm H})Z^2+o(Z^2)$ when $Z\\to \\infty$ and $N/Z\\to \\lambda$, where $E^{\\TF}(\\lambd......We prove that the ground state energy of an atom confined to two dimensions with an infinitely heavy nucleus of charge $Z>0$ and $N$ quantum electrons of charge -1 is $E(N,Z)=-{1/2}Z^2\\ln Z+(E^{\\TF}(\\lambda)+{1/2}c^{\\rm H})Z^2+o(Z^2)$ when $Z\\to \\infty$ and $N/Z\\to \\lambda$, where $E......^{\\TF}(\\lambda)$ is given by a Thomas-Fermi type variational problem and $c^{\\rm H}\\approx -2.2339$ is an explicit constant. We also show that the radius of a two-dimensional neutral atom is unbounded when $Z\\to \\infty$, which is contrary to the expected behavior of three-dimensional atoms....

  13. Predicting Two-Dimensional Silicon Carbide Monolayers.

    Science.gov (United States)

    Shi, Zhiming; Zhang, Zhuhua; Kutana, Alex; Yakobson, Boris I

    2015-10-27

    Intrinsic semimetallicity of graphene and silicene largely limits their applications in functional devices. Mixing carbon and silicon atoms to form two-dimensional (2D) silicon carbide (SixC1-x) sheets is promising to overcome this issue. Using first-principles calculations combined with the cluster expansion method, we perform a comprehensive study on the thermodynamic stability and electronic properties of 2D SixC1-x monolayers with 0 ≤ x ≤ 1. Upon varying the silicon concentration, the 2D SixC1-x presents two distinct structural phases, a homogeneous phase with well dispersed Si (or C) atoms and an in-plane hybrid phase rich in SiC domains. While the in-plane hybrid structure shows uniform semiconducting properties with widely tunable band gap from 0 to 2.87 eV due to quantum confinement effect imposed by the SiC domains, the homogeneous structures can be semiconducting or remain semimetallic depending on a superlattice vector which dictates whether the sublattice symmetry is topologically broken. Moreover, we reveal a universal rule for describing the electronic properties of the homogeneous SixC1-x structures. These findings suggest that the 2D SixC1-x monolayers may present a new "family" of 2D materials, with a rich variety of properties for applications in electronics and optoelectronics.

  14. Benchmarking a Visual-Basic based multi-component one-dimensional reactive transport modeling tool

    Science.gov (United States)

    Torlapati, Jagadish; Prabhakar Clement, T.

    2013-01-01

    We present the details of a comprehensive numerical modeling tool, RT1D, which can be used for simulating biochemical and geochemical reactive transport problems. The code can be run within the standard Microsoft EXCEL Visual Basic platform, and it does not require any additional software tools. The code can be easily adapted by others for simulating different types of laboratory-scale reactive transport experiments. We illustrate the capabilities of the tool by solving five benchmark problems with varying levels of reaction complexity. These literature-derived benchmarks are used to highlight the versatility of the code for solving a variety of practical reactive transport problems. The benchmarks are described in detail to provide a comprehensive database, which can be used by model developers to test other numerical codes. The VBA code presented in the study is a practical tool that can be used by laboratory researchers for analyzing both batch and column datasets within an EXCEL platform.

  15. Pore scale modeling of reactive transport involved in geologic CO2 sequestration

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Qinjin [Los Alamos National Laboratory; Lichtner, Peter C [Los Alamos National Laboratory; Viswanathan, Hari S [Los Alamos National Laboratory; Abdel-fattah, Amr I [Los Alamos National Laboratory

    2009-01-01

    We apply a multi-component reactive transport lattice Boltzmann model developed in previolls studies to modeling the injection of a C02 saturated brine into various porous media structures at temperature T=25 and 80 C. The porous media are originally consisted of calcite. A chemical system consisting of Na+, Ca2+, Mg2+, H+, CO2(aq), and CI-is considered. The fluid flow, advection and diHusion of aqueous species, homogeneous reactions occurring in the bulk fluid, as weB as the dissolution of calcite and precipitation of dolomite are simulated at the pore scale. The effects of porous media structure on reactive transport are investigated. The results are compared with continuum scale modeling and the agreement and discrepancy are discussed. This work may shed some light on the fundamental physics occurring at the pore scale for reactive transport involved in geologic C02 sequestration.

  16. Fluid dynamics of two-dimensional pollination in Ruppia maritima

    Science.gov (United States)

    Musunuri, Naga; Bunker, Daniel; Pell, Susan; Pell, Fischer; Singh, Pushpendra

    2016-11-01

    The aim of this work is to understand the physics underlying the mechanisms of two-dimensional aquatic pollen dispersal, known as hydrophily. We observed two mechanisms by which the pollen released from male inflorescences of Ruppia maritima is adsorbed on a water surface: (i) inflorescences rise above the surface and after they mature their pollen mass falls onto the surface as clumps and disperses on the surface; (ii) inflorescences remain below the surface and produce air bubbles which carry their pollen mass to the surface where it disperses. In both cases dispersed pollen masses combined under the action of capillary forces to form pollen rafts. This increases the probability of pollination since the capillary force on a pollen raft towards a stigma is much larger than on a single pollen grain. The presence of a trace amount of surfactant can disrupt the pollination process so that the pollen is not transported or captured on the water surface. National Science Foundation.

  17. Patched Green's function techniques for two-dimensional systems

    DEFF Research Database (Denmark)

    Settnes, Mikkel; Power, Stephen; Lin, Jun

    2015-01-01

    We present a numerically efficient technique to evaluate the Green's function for extended two-dimensional systems without relying on periodic boundary conditions. Different regions of interest, or “patches,” are connected using self-energy terms which encode the information of the extended parts...... of the system. The calculation scheme uses a combination of analytic expressions for the Green's function of infinite pristine systems and an adaptive recursive Green's function technique for the patches. The method allows for an efficient calculation of both local electronic and transport properties, as well...... as the inclusion of multiple probes in arbitrary geometries embedded in extended samples. We apply the patched Green's function method to evaluate the local densities of states and transmission properties of graphene systems with two kinds of deviations from the pristine structure: bubbles and perforations...

  18. Two-dimensional optical thermal ratchets based on Fibonacci spirals.

    Science.gov (United States)

    Xiao, Ke; Roichman, Yael; Grier, David G

    2011-07-01

    An ensemble of symmetric potential energy wells arranged at the vertices of a Fibonacci spiral can serve as the basis for an irreducibly two-dimensional thermal ratchet. Periodic rotation of the potential energy landscape through a three-step cycle drives trapped Brownian particles along spiral trajectories through the pattern. Which spiral is selected depends on the angular displacement at each step, with transitions between selected spirals arising at rational proportions of the golden angle. Fibonacci spiral ratchets therefore display an exceptionally rich range of transport properties, including inhomogeneous states in which different parts of the pattern induce motion in different directions. Both the radial and angular components of these trajectories can undergo flux reversal as a function of the scale of the pattern or the rate of rotation.

  19. Anomaly matching condition in two-dimensional systems

    CERN Document Server

    Dubinkin, O; Gubankova, E

    2016-01-01

    Based on Son-Yamamoto relation obtained for transverse part of triangle axial anomaly in ${\\rm QCD}_4$, we derive its analog in two-dimensional system. It connects the transverse part of mixed vector-axial current two-point function with diagonal vector and axial current two-point functions. Being fully non-perturbative, this relation may be regarded as anomaly matching for conductivities or certain transport coefficients depending on the system. We consider the holographic RG flows in holographic Yang-Mills-Chern-Simons theory via the Hamilton-Jacobi equation with respect to the radial coordinate. Within this holographic model it is found that the RG flows for the following relations are diagonal: Son-Yamamoto relation and the left-right polarization operator. Thus the Son-Yamamoto relation holds at wide range of energy scales.

  20. Interaction of two-dimensional magnetoexcitons

    Science.gov (United States)

    Dumanov, E. V.; Podlesny, I. V.; Moskalenko, S. A.; Liberman, M. A.

    2017-04-01

    We study interaction of the two-dimensional magnetoexcitons with in-plane wave vector k→∥ = 0 , taking into account the influence of the excited Landau levels (ELLs) and of the external electric field perpendicular to the surface of the quantum well and parallel to the external magnetic field. It is shown that the account of the ELLs gives rise to the repulsion between the spinless magnetoexcitons with k→∥ = 0 in the Fock approximation, with the interaction constant g decreasing inverse proportional to the magnetic field strength B (g (0) ∼ 1 / B) . In the presence of the perpendicular electric field the Rashba spin-orbit coupling (RSOC), Zeeman splitting (ZS) and nonparabolicity of the heavy-hole dispersion law affect the Landau quantization of the electrons and holes. They move along the new cyclotron orbits, change their Coulomb interactions and cause the interaction between 2D magnetoexcitons with k→∥ = 0 . The changes of the Coulomb interactions caused by the electrons and by the holes moving with new cyclotron orbits are characterized by some coefficients, which in the absence of the electric field turn to be unity. The differences between these coefficients of the electron-hole pairs forming the magnetoexcitons determine their affinities to the interactions. The interactions between the homogeneous, semihomogeneous and heterogeneous magnetoexcitons forming the symmetric states with the same signs of their affinities are attractive whereas in the case of different sign affinities are repulsive. In the heterogeneous asymmetric states the interactions have opposite signs in comparison with the symmetric states. In all these cases the interaction constant g have the dependence g (0) 1 /√{ B} .

  1. Column Testing and 1D Reactive Transport Modeling to Evaluate Uranium Plume Persistence Processes

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Raymond H. [Navarro Research and Engineering, Inc.; Morrison, Stan [Navarro Research and Engineering, Inc.; Morris, Sarah [Navarro Research and Engineering, Inc.; Tigar, Aaron [Navarro Research and Engineering, Inc.; Dam, William [U.S. Department of Energy, Office of Legacy Management; Dayvault, Jalena [U.S. Department of Energy, Office of Legacy Management

    2016-04-26

    Motivation for Study: Natural flushing of contaminants at various U.S. Department of Energy Office of Legacy Management sites is not proceeding as quickly as predicted (plume persistence) Objectives: Help determine natural flushing rates using column tests. Use 1D reactive transport modeling to better understand the major processes that are creating plume persistence Approach: Core samples from under a former mill tailings area Tailings have been removed. Column leaching using lab-prepared water similar to nearby Gunnison River water. 1D reactive transport modeling to evaluate processes

  2. Two-dimensional materials and their prospects in transistor electronics.

    Science.gov (United States)

    Schwierz, F; Pezoldt, J; Granzner, R

    2015-05-14

    During the past decade, two-dimensional materials have attracted incredible interest from the electronic device community. The first two-dimensional material studied in detail was graphene and, since 2007, it has intensively been explored as a material for electronic devices, in particular, transistors. While graphene transistors are still on the agenda, researchers have extended their work to two-dimensional materials beyond graphene and the number of two-dimensional materials under examination has literally exploded recently. Meanwhile several hundreds of different two-dimensional materials are known, a substantial part of them is considered useful for transistors, and experimental transistors with channels of different two-dimensional materials have been demonstrated. In spite of the rapid progress in the field, the prospects of two-dimensional transistors still remain vague and optimistic opinions face rather reserved assessments. The intention of the present paper is to shed more light on the merits and drawbacks of two-dimensional materials for transistor electronics and to add a few more facets to the ongoing discussion on the prospects of two-dimensional transistors. To this end, we compose a wish list of properties for a good transistor channel material and examine to what extent the two-dimensional materials fulfill the criteria of the list. The state-of-the-art two-dimensional transistors are reviewed and a balanced view of both the pros and cons of these devices is provided.

  3. Optical Spectroscopy of Two Dimensional Graphene and Boron Nitride

    Science.gov (United States)

    Ju, Long

    This dissertation describes the use of optical spectroscopy in studying the physical properties of two dimensional nano materials like graphene and hexagonal boron nitride. Compared to bulk materials, atomically thin two dimensional materials have a unique character that is the strong dependence of physical properties on external control. Both electronic band structure and chemical potential can be tuned in situ by electric field-which is a powerful knob in experiment. Therefore the optical study at atomic thickness scale can greatly benefit from modern micro-fabrication technique and electric control of the material properties. As will be shown in this dissertation, such control of both gemometric and physical properties enables new possibilities of optical spectroscopic measurement as well as opto-electronic studies. Other experimental techniques like electric transport and scanning tunneling microscopy and spectroscopy are also combined with optical spectroscopy to reveal the physics that is beyond the reach of each individual technique. There are three major themes in the dissertation. The first one is focused on the study of plasmon excitation of Dirac electrons in monolayer graphene. Unlike plasmons in ordinary two dimensional electron gas, plasmons of 2D electrons as in graphene obey unusual scaling laws. We fabricate graphene micro-ribbon arrays with photolithography technique and use optical absorption spectroscopy to study its absorption spectrum. The experimental result demonstrates the extraordinarily strong light-plasmon coupling and its novel dependence on both charge doping and geometric dimensions. This work provides a first glance at the fundamental properties of graphene plasmons and forms the basis of an emerging subfield of graphene research and applications such as graphene terahertz metamaterials. The second part describes the opto-electronic response of heterostructures composed of graphene and hexagonal boron nitride. We found that there is

  4. Reactive Transport in a Pipe in Soluble Rock: a Theoretical and Experimental Study

    Science.gov (United States)

    Li, W.; Opolot, M.; Sousa, R.; Einstein, H. H.

    2015-12-01

    Reactive transport processes within the dominant underground flow pathways such as fractures can lead to the widening or narrowing of rock fractures, potentially altering the flow and transport processes in the fractures. A flow-through experiment was designed to study the reactive transport process in a pipe in soluble rock to serve as a simplified representation of a fracture in soluble rock. Assumptions were made to formulate the problem as three coupled, one-dimensional partial differential equations: one for the flow, one for the transport and one for the radius change due to dissolution. Analytical and numerical solutions were developed to predict the effluent concentration and the change in pipe radius. The positive feedback of the radius increase is captured by the experiment and the numerical model. A comparison between the experiment and the simulation results demonstrates the validity of the analytical and numerical models.

  5. A COMSOL-GEMS interface for modeling coupled reactive-transport geochemical processes

    Science.gov (United States)

    Azad, Vahid Jafari; Li, Chang; Verba, Circe; Ideker, Jason H.; Isgor, O. Burkan

    2016-07-01

    An interface was developed between COMSOL MultiphysicsTM finite element analysis software and (geo)chemical modeling platform, GEMS, for the reactive-transport modeling of (geo)chemical processes in variably saturated porous media. The two standalone software packages are managed from the interface that uses a non-iterative operator splitting technique to couple the transport (COMSOL) and reaction (GEMS) processes. The interface allows modeling media with complex chemistry (e.g. cement) using GEMS thermodynamic database formats. Benchmark comparisons show that the developed interface can be used to predict a variety of reactive-transport processes accurately. The full functionality of the interface was demonstrated to model transport processes, governed by extended Nernst-Plank equation, in Class H Portland cement samples in high pressure and temperature autoclaves simulating systems that are used to store captured carbon dioxide (CO2) in geological reservoirs.

  6. Pseudo-two-dimensional random dimer lattices

    Energy Technology Data Exchange (ETDEWEB)

    Naether, U., E-mail: naether@unizar.es [Instituto de Ciencia de Materiales de Aragón and Departamento de Física de la Materia Condensada, CSIC – Universidad de Zaragoza, 50009 Zaragoza (Spain); Mejía-Cortés, C.; Vicencio, R.A. [Departamento de Física and MSI – Nucleus for Advanced Optics, Center for Optics and Photonics (CEFOP), Facultad de Ciencias, Universidad de Chile, Santiago (Chile)

    2015-06-05

    We study the long-time wave transport in correlated and uncorrelated disordered 2D arrays. When a separation of dimensions is applied to the model, we find that the previously predicted 1D random dimer phenomenology also appears in so-called pseudo-2D arrays. Therefore, a threshold behavior is observed in terms of the effective size for eigenmodes, as well as in long-time dynamics. A minimum system size is required to observe this threshold, which is very important when considering a possible experimental realization. For the long-time evolution, we find that for correlated lattices a super-diffusive long-range transport is observed. For completely uncorrelated disorder 2D transport becomes sub-diffusive within the localization length and for random binary pseudo-2D arrays localization is observed.

  7. Ultrafast two dimensional infrared chemical exchange spectroscopy

    Science.gov (United States)

    Fayer, Michael

    2011-03-01

    The method of ultrafast two dimensional infrared (2D IR) vibrational echo spectroscopy is described. Three ultrashort IR pulses tuned to the frequencies of the vibrational transitions of interest are directed into the sample. The interaction of these pulses with the molecular vibrational oscillators produces a polarization that gives rise to a fourth pulse, the vibrational echo. The vibrational echo pulse is combined with another pulse, the local oscillator, for heterodyne detection of the signal. For fixed time between the second and third pulses, the waiting time, the first pulse is scanned. Two Fourier transforms of the data yield a 2D IR spectrum. The waiting time is increased, and another spectrum is obtained. The change in the 2D IR spectra with increased waiting time provides information on the time evolution of the structure of the molecular system under observation. In a 2D IR chemical exchange experiment, two species A and B, are undergoing chemical exchange. A's are turning into B's, and B's are turning into A's, but the overall concentrations of the species are not changing. The kinetics of the chemical exchange on the ground electronic state under thermal equilibrium conditions can be obtained 2D IR spectroscopy. A vibration that has a different frequency for the two species is monitored. At very short time, there will be two peaks on the diagonal of the 2D IR spectrum, one for A and one for B. As the waiting time is increased, chemical exchange causes off-diagonal peaks to grow in. The time dependence of the growth of these off-diagonal peaks gives the chemical exchange rate. The method is applied to organic solute-solvent complex formation, orientational isomerization about a carbon-carbon single bond, migration of a hydrogen bond from one position on a molecule to another, protein structural substate interconversion, and water hydrogen bond switching between ions and water molecules. This work was supported by the Air Force Office of Scientific

  8. A reactive transport model for the geochemical response, detection and potential mitigation of CO2 leakage into a confined aquifer

    Science.gov (United States)

    Maher, K.; Druhan, J. L.; Vialle, S.; Benson, S. M.; Agarwal, A.

    2013-12-01

    Long-term storage of anthropogenic CO2 in the subsurface generally assumes that caprock formations will serve as physical barriers to upward migration of CO2. Stability and coherence of the caprocks are thus important criteria for site selection, but caprock integritycannot be guaranteed with total certainty over the lifetime of the project. As a result, carbon capture and storage projects require reliable techniques to monitor geologic storage sites for newly formed leaks, and the ability to rapidly deploy mitigation measures should leakage occur. Here, we present two-dimensional reactive transport simulations to evaluate the hydrogeochemical characteristics of a newly formed CO2 leak into an overlying reservoir. Simulations use the ToughReact multi-component reactive transport code and hypothetical reservoir characteristics. We focus on the comparatively short time period of days to months following formation of the leak to consider (1) geochemical shifts in formation water indicative of the leak, (2) hydrodynamics of pumping wells in the vicinity of the leak, and (3) delivery of a sealant to the leak through an adjacent well bore. Our results suggest that characteristic shifts in pH and dissolved inorganic carbon might be detected in down-gradient mentoring wells prior to the breakthrough of CO2, and could offer a potential means of identifying small and newly formed leaks. Injecting water into the aquifer through pumping wells in the vicinity of the leak provides a hydrodynamic control that can prevent CO2 from reaching the top of the reservoir, but this action will likely have only minor influence on the rate of leakage through the caprock defect. Injection of a hypothetical sealant through an adjacent pumping well is considered using an aqueous solute with pH-dependent equilibrium constraints such that the species is soluble in the basic pH range but forms a precipitate at neutral to acidic pH conditions associated with CO2-rich water. Injection of this

  9. Multi-scale modeling of multi-component reactive transport in geothermal aquifers

    Science.gov (United States)

    Nick, Hamidreza M.; Raoof, Amir; Wolf, Karl-Heinz; Bruhn, David

    2014-05-01

    In deep geothermal systems heat and chemical stresses can cause physical alterations, which may have a significant effect on flow and reaction rates. As a consequence it will lead to changes in permeability and porosity of the formations due to mineral precipitation and dissolution. Large-scale modeling of reactive transport in such systems is still challenging. A large area of uncertainty is the way in which the pore-scale information controlling the flow and reaction will behave at a larger scale. A possible choice is to use constitutive relationships relating, for example the permeability and porosity evolutions to the change in the pore geometry. While determining such relationships through laboratory experiments may be limited, pore-network modeling provides an alternative solution. In this work, we introduce a new workflow in which a hybrid Finite-Element Finite-Volume method [1,2] and a pore network modeling approach [3] are employed. Using the pore-scale model, relevant constitutive relations are developed. These relations are then embedded in the continuum-scale model. This approach enables us to study non-isothermal reactive transport in porous media while accounting for micro-scale features under realistic conditions. The performance and applicability of the proposed model is explored for different flow and reaction regimes. References: 1. Matthäi, S.K., et al.: Simulation of solute transport through fractured rock: a higher-order accurate finite-element finite-volume method permitting large time steps. Transport in porous media 83.2 (2010): 289-318. 2. Nick, H.M., et al.: Reactive dispersive contaminant transport in coastal aquifers: Numerical simulation of a reactive Henry problem. Journal of contaminant hydrology 145 (2012), 90-104. 3. Raoof A., et al.: PoreFlow: A Complex pore-network model for simulation of reactive transport in variably saturated porous media, Computers & Geosciences, 61, (2013), 160-174.

  10. SeSBench - An initiative to benchmark reactive transport models for environmental subsurface processes

    Science.gov (United States)

    Jacques, Diederik

    2017-04-01

    As soil functions are governed by a multitude of interacting hydrological, geochemical and biological processes, simulation tools coupling mathematical models for interacting processes are needed. Coupled reactive transport models are a typical example of such coupled tools mainly focusing on hydrological and geochemical coupling (see e.g. Steefel et al., 2015). Mathematical and numerical complexity for both the tool itself or of the specific conceptual model can increase rapidly. Therefore, numerical verification of such type of models is a prerequisite for guaranteeing reliability and confidence and qualifying simulation tools and approaches for any further model application. In 2011, a first SeSBench -Subsurface Environmental Simulation Benchmarking- workshop was held in Berkeley (USA) followed by four other ones. The objective is to benchmark subsurface environmental simulation models and methods with a current focus on reactive transport processes. The final outcome was a special issue in Computational Geosciences (2015, issue 3 - Reactive transport benchmarks for subsurface environmental simulation) with a collection of 11 benchmarks. Benchmarks, proposed by the participants of the workshops, should be relevant for environmental or geo-engineering applications; the latter were mostly related to radioactive waste disposal issues - excluding benchmarks defined for pure mathematical reasons. Another important feature is the tiered approach within a benchmark with the definition of a single principle problem and different sub problems. The latter typically benchmarked individual or simplified processes (e.g. inert solute transport, simplified geochemical conceptual model) or geometries (e.g. batch or one-dimensional, homogeneous). Finally, three codes should be involved into a benchmark. The SeSBench initiative contributes to confidence building for applying reactive transport codes. Furthermore, it illustrates the use of those type of models for different

  11. Reactive transport in the complex heterogeneous alluvial aquifer of Fortymile Wash, Nevada.

    Science.gov (United States)

    Soltanian, Mohamad Reza; Sun, Alexander; Dai, Zhenxue

    2017-07-01

    Yucca Mountain, Nevada, had been extensively investigated as a potential deep geologic repository for storing high-level nuclear wastes. Previous field investigations of stratified alluvial aquifer downstream of the site revealed that there is a hierarchy of sedimentary facies types. There is a corresponding log conductivity and reactive surface area subpopulations within each facies at each scale of sedimentary architecture. Here we use a Lagrangian-based transport model in order to analyze radionuclide dispersion in the saturated alluvium of Fortymile Wash, Nevada. First, we validate the Lagrangian model using high-resolution flow and reactive transport simulations. Then, we used the validated model to investigate how each scale of sedimentary architecture may affect long-term radionuclide transport at Yucca Mountain. Results show that the reactive solute dispersion developed by the Lagrangian model matches the ensemble average of numerical simulations well. The link between the alluvium spatial variability and reactive solute dispersion at different spatiotemporal scales is demonstrated using the Lagrangian model. The longitudinal dispersivity of the reactive plume can be on the order of hundreds to thousands of meters, and it may not reach its asymptotic value even after 10,000 years of travel time and 2-3 km of travel distance. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Electrical and optoelectronic properties of two-dimensional materials

    Science.gov (United States)

    Wang, Qiaoming

    Electrical and optoelectronic properties of bulk semiconductor materials have been extensively explored in last century. However, when reduced to one-dimensional and two-dimensional, many semiconductors start to show unique electrical and optoelectronic behaviors. In this dissertation, electrical and optoelectronic properties of one-dimensional (nanowires) and two-dimensional semiconductor materials are investigated by various techniques, including scanning photocurrent microscopy, scanning Kelvin probe microscopy, Raman spectroscopy, photoluminescence, and finite-element simulations. In our work, gate-tunable photocurrent in ZnO nanowires has been observed under optical excitation in the visible regime, which originates from the nanowire/substrate interface states. This gate tunability in the visible regime can be used to enhance the photon absorption efficiency, and suppress the undesirable visible-light photodetection in ZnO-based solar cells. The power conversion efficiency of CuInSe2/CdS core-shell nanowire solar cells has been investigated. The highest power conversion efficiency per unit area/volume is achieved with core diameter of 50 nm and the thinnest shell thickness. The existence of the optimal geometrical parameters is due to a combined effect of optical resonances and carrier transport/dynamics. Significant current crowding in two-dimensional black phosphorus field-effect transistors has been found, which has been significantly underestimated by the commonly used transmission-line model. This current crowding can lead to Joule heating close to the contacts. New van der Waals metal-semiconductor junctions have been mechanically constructed and systematically studied. The photocurrent on junction area has been demonstrated to originate from the photothermal effect rather than the photovoltaic effect. Our findings suggest that a reasonable control of interface/surface state properties can enable new and beneficial functionalities in nanostructures. We

  13. Core-flood experiment for transport of reactive fluids in rocks.

    Science.gov (United States)

    Ott, H; de Kloe, K; van Bakel, M; Vos, F; van Pelt, A; Legerstee, P; Bauer, A; Eide, K; van der Linden, A; Berg, S; Makurat, A

    2012-08-01

    Investigation of the transport of reactive fluids in porous rocks is an intriguing but challenging task and relevant in several areas of science and engineering such as geology, hydrogeology, and petroleum engineering. We designed and constructed an experimental setup to investigate physical and chemical processes caused by the flow of reactive and volatile fluids such as supercritical CO(2) and/or H(2)S in geological formations. Potential applications are geological sequestration of CO(2) in the frame of carbon capture and storage and acid-gas injection for sulfur disposal and/or enhanced oil recovery. The present paper outlines the design criteria and the realization of reactive transport experiments on the laboratory scale. We focus on the spatial and time evolution of rock and fluid composition as a result of chemical rock fluid interaction and the coupling of chemistry and fluid flow in porous rocks.

  14. Model-data integration for predictive assessment of groundwater reactive transport systems

    NARCIS (Netherlands)

    Carniato, L.

    2014-01-01

    Predicting the evolution of groundwater contamination is a major concern for society, in particular when investments are made to remediate the contamination. Groundwater reactive transport models are valuable tools to integrate the available measurements in a consistent framework, improving our unde

  15. Coupled hydrogeological and reactive transport modelling of the Simpevarp area (Sweden)

    Energy Technology Data Exchange (ETDEWEB)

    Molinero, Jorge [Amphos XXI Consulting, S.L. Pg. de Rubi, 29-31, 08197 Valldoreix, Barcelona (Spain)], E-mail: jorge.molinero@amphos21.com; Raposo, Juan R.; Galindez, Juan M. [Escola Politecnica Superior, Universidade de Santiago de Compostela, Campus Universitario s/n, 27002 Lugo (Spain); Arcos, David; Guimera, Jordi [Amphos XXI Consulting, S.L. Pg. de Rubi, 29-31, 08197 Valldoreix, Barcelona (Spain)

    2008-07-15

    The Simpevarp area is one of the alternative sites being considered for the deep geological disposal of high level radioactive waste in Sweden. In this paper, a coupled regional groundwater flow and reactive solute transport model of the Simpevarp area is presented that integrates current hydrogeological and hydrochemical data of the area. The model simulates the current hydrochemical pattern of the groundwater system in the area. To that aim, a conceptual hydrochemical model was developed in order to represent the dominant chemical processes. Groundwater flow conditions were reproduced by taking into account fluid-density-dependent groundwater flow and regional hydrogeologic boundary conditions. Reactive solute transport calculations were performed on the basis of the velocity field so obtained. The model was calibrated and sensitivity analyses were carried out in order to investigate the effects of heterogeneities of hydraulic conductivity in the subsurface medium. Results provided by the reactive transport model are in good agreement with much of the measured hydrochemical data. This paper emphasizes the appropriateness of the use of reactive solute transport models when water-rock interaction reactions are involved, and demonstrates what powerful tools they are for the interpretation of hydrogeological and hydrochemical data from site geological repository characterization programs, by providing a qualitative framework for data analysis and testing of conceptual assumptions in a process-oriented approach.

  16. A reactive transport investigation of a seawater intrusion experiment in a shallow aquifer, Skansehage Denmark

    DEFF Research Database (Denmark)

    Christensen, Flemming Damgaard; Engesgaard, Peter Knudegaard; Kipp, K.L.

    2001-01-01

    Previous investigations on seawater intrusion have mainly focused on either the physical density flow system with transport of a single non-reactive species or focused on the geochemical aspects neglecting density effects. This study focuses on both the geochemical and physical aspects of seawater...... intrusion and their interaction during an intrusion experiment in a shallow, small-scale coastal aquifer in Denmark....

  17. Quantification of conservative and reactive transport using a single groundwater tracer test in a fractured media

    Science.gov (United States)

    Chatton, Eliot; Labasque, Thierry; Guillou, Aurélie; Béthencourt, Lorine; de La Bernardie, Jérôme; Boisson, Alexandre; Koch, Florian; Aquilina, Luc

    2017-04-01

    Identification of biogeochemical reactions in aquifers and determining kinetics is important for the prediction of contaminant transport in aquifers and groundwater management. Therefore, experiments accounting for both conservative and reactive transport are essential to understand the biogeochemical reactivity at field scale. This study presents the results of a groundwater tracer test using the combined injection of dissolved conservative and reactive tracers (He, Xe, Ar, Br-, O2 and NO3-) in order to evaluate the transport properties of a fractured media in Brittany, France. Dissolved gas concentrations were continuously monitored in situ with a CF-MIMS (Chatton et al, 2016) allowing a high frequency (1 gas every 2 seconds) multi-tracer analysis (N2, O2, CO2, CH4, N2O, H2, He, Ne, Ar, Kr, Xe) over a large resolution (6 orders of magnitude). Along with dissolved gases, groundwater biogeochemistry was monitored through the sampling of major anions and cations, trace elements and microbiological diversity. The results show breakthrough curves allowing the combined quantification of conservative and reactive transport properties. This ongoing work is an original approach investigating the link between heterogeneity of porous media and biogeochemical reactions at field scale. Eliot Chatton, Thierry Labasque, Jérôme de La Bernardie, Nicolas Guihéneuf, Olivier Bour and Luc Aquilina; Field Continuous Measurement of Dissolved Gases with a CF-MIMS: Applications to the Physics and Biogeochemistry of Groundwater Flow; Environmental Science & Technology, in press, 2016.

  18. Deep removal of 4,6-dimethyldibenzothiophene from model transportation diesel fuels over reactive adsorbent

    Directory of Open Access Journals (Sweden)

    Shengqiang Wang

    2012-06-01

    Full Text Available This paper presents a new reactive adsorbent used to effectively remove 4,6-dimethyldibenzothiophene (4,6-DMDBT from model transportation diesel fuels. This reactive adsorbent was composed of formaldehyde, phosphotungstic acid and mesoporous silica gel. The experiment was based on an assumed condensation reaction of 4,6-DMDBT with formaldehyde using phosphotungstic acid as catalyst in pore spaces. The effect of temperature and the amount of formaldehyde and phosphotungstic acid loaded on the substrate were investigated in a batch system. In the breakthrough experiment, three different model diesel fuels containing 1000 mg/kg 4,6-DMDBT were pumped through a fixed-bed reactor packed with reactive adsorbent at constant temperature and atmospheric pressure, respectively. The experimental results showed that sulfur-free model fuel was obtained at 80ºC despite the presence of aromatics. The sulfur capacity of regenerated reactive adsorbent was almost totally recovered.

  19. Reactive transport modeling of geochemical controls on secondary water quality impacts at a crude oil spill site near Bemidji, MN

    Science.gov (United States)

    Ng, Gene-Hua Crystal.; Bekins, Barbara A.; Cozzarelli, Isabelle M.; Baedecker, Mary Jo; Bennett, Philip C.; Amos, Richard T.; Herkelrath, William N.

    2015-01-01

    Anaerobic biodegradation of organic amendments and contaminants in aquifers can trigger secondary water quality impacts that impair groundwater resources. Reactive transport models help elucidate how diverse geochemical reactions control the spatiotemporal evolution of these impacts. Using extensive monitoring data from a crude oil spill site near Bemidji, Minnesota (USA), we implemented a comprehensive model that simulates secondary plumes of depleted dissolved O2 and elevated concentrations of Mn2+, Fe2+, CH4, and Ca2+ over a two-dimensional cross section for 30 years following the spill. The model produces observed changes by representing multiple oil constituents and coupled carbonate and hydroxide chemistry. The model includes reactions with carbonates and Fe and Mn mineral phases, outgassing of CH4 and CO2 gas phases, and sorption of Fe, Mn, and H+. Model results demonstrate that most of the carbon loss from the oil (70%) occurs through direct outgassing from the oil source zone, greatly limiting the amount of CH4 cycled down-gradient. The vast majority of reduced Fe is strongly attenuated on sediments, with most (91%) in the sorbed form in the model. Ferrous carbonates constitute a small fraction of the reduced Fe in simulations, but may be important for furthering the reduction of ferric oxides. The combined effect of concomitant redox reactions, sorption, and dissolved CO2 inputs from source-zone degradation successfully reproduced observed pH. The model demonstrates that secondary water quality impacts may depend strongly on organic carbon properties, and impacts may decrease due to sorption and direct outgassing from the source zone.

  20. Maximum likelihood Bayesian model averaging and its predictive analysis for groundwater reactive transport models

    Science.gov (United States)

    Curtis, Gary P.; Lu, Dan; Ye, Ming

    2015-01-01

    While Bayesian model averaging (BMA) has been widely used in groundwater modeling, it is infrequently applied to groundwater reactive transport modeling because of multiple sources of uncertainty in the coupled hydrogeochemical processes and because of the long execution time of each model run. To resolve these problems, this study analyzed different levels of uncertainty in a hierarchical way, and used the maximum likelihood version of BMA, i.e., MLBMA, to improve the computational efficiency. This study demonstrates the applicability of MLBMA to groundwater reactive transport modeling in a synthetic case in which twenty-seven reactive transport models were designed to predict the reactive transport of hexavalent uranium (U(VI)) based on observations at a former uranium mill site near Naturita, CO. These reactive transport models contain three uncertain model components, i.e., parameterization of hydraulic conductivity, configuration of model boundary, and surface complexation reactions that simulate U(VI) adsorption. These uncertain model components were aggregated into the alternative models by integrating a hierarchical structure into MLBMA. The modeling results of the individual models and MLBMA were analyzed to investigate their predictive performance. The predictive logscore results show that MLBMA generally outperforms the best model, suggesting that using MLBMA is a sound strategy to achieve more robust model predictions relative to a single model. MLBMA works best when the alternative models are structurally distinct and have diverse model predictions. When correlation in model structure exists, two strategies were used to improve predictive performance by retaining structurally distinct models or assigning smaller prior model probabilities to correlated models. Since the synthetic models were designed using data from the Naturita site, the results of this study are expected to provide guidance for real-world modeling. Limitations of applying MLBMA to the

  1. Surrogate model approach for improving the performance of reactive transport simulations

    Science.gov (United States)

    Jatnieks, Janis; De Lucia, Marco; Sips, Mike; Dransch, Doris

    2016-04-01

    Reactive transport models can serve a large number of important geoscientific applications involving underground resources in industry and scientific research. It is common for simulation of reactive transport to consist of at least two coupled simulation models. First is a hydrodynamics simulator that is responsible for simulating the flow of groundwaters and transport of solutes. Hydrodynamics simulators are well established technology and can be very efficient. When hydrodynamics simulations are performed without coupled geochemistry, their spatial geometries can span millions of elements even when running on desktop workstations. Second is a geochemical simulation model that is coupled to the hydrodynamics simulator. Geochemical simulation models are much more computationally costly. This is a problem that makes reactive transport simulations spanning millions of spatial elements very difficult to achieve. To address this problem we propose to replace the coupled geochemical simulation model with a surrogate model. A surrogate is a statistical model created to include only the necessary subset of simulator complexity for a particular scenario. To demonstrate the viability of such an approach we tested it on a popular reactive transport benchmark problem that involves 1D Calcite transport. This is a published benchmark problem (Kolditz, 2012) for simulation models and for this reason we use it to test the surrogate model approach. To do this we tried a number of statistical models available through the caret and DiceEval packages for R, to be used as surrogate models. These were trained on randomly sampled subset of the input-output data from the geochemical simulation model used in the original reactive transport simulation. For validation we use the surrogate model to predict the simulator output using the part of sampled input data that was not used for training the statistical model. For this scenario we find that the multivariate adaptive regression splines

  2. The convolution theorem for two-dimensional continuous wavelet transform

    Institute of Scientific and Technical Information of China (English)

    ZHANG CHI

    2013-01-01

    In this paper , application of two -dimensional continuous wavelet transform to image processes is studied. We first show that the convolution and correlation of two continuous wavelets satisfy the required admissibility and regularity conditions ,and then we derive the convolution and correlation theorem for two-dimensional continuous wavelet transform. Finally, we present numerical example showing the usefulness of applying the convolution theorem for two -dimensional continuous wavelet transform to perform image restoration in the presence of additive noise.

  3. Curved Two-Dimensional Electron Systems in Semiconductor Nanoscrolls

    Science.gov (United States)

    Peters, Karen; Mendach, Stefan; Hansen, Wolfgang

    The perfect control of strain and layer thickness in epitaxial semiconductor bilayers is employed to fabricate semiconductor nanoscrolls with precisely adjusted scroll diameter ranging between a few nanometers and several tens of microns. Furthermore, semiconductor heteroepitaxy allows us to incorporate quantum objects such as quantum wells, quantum dots, or modulation doped low-dimensional carrier systems into the nanoscrolls. In this review, we summarize techniques that we have developed to fabricate semiconductor nanoscrolls with well-defined location, orientation, geometry, and winding number. We focus on magneto-transport studies of curved two-dimensional electron systems in such nanoscrolls. An externally applied magnetic field results in a strongly modulated normal-to-surface component leading to magnetic barriers, reflection of edge channels, and local spin currents. The observations are compared to finite-element calculations and discussed on the basis of simple models taking into account the influence of a locally modulated state density on the conductivity. In particular, it is shown that the observations in high magnetic fields can be well described considering the transport in edge channels according to the Landauer-Büttiker model if additional magnetic field induced channels aligned along magnetic barriers are accounted for.

  4. Moving from Batch to Field Using the RT3D Reactive Transport Modeling System

    Science.gov (United States)

    Clement, T. P.; Gautam, T. R.

    2002-12-01

    The public domain reactive transport code RT3D (Clement, 1997) is a general-purpose numerical code for solving coupled, multi-species reactive transport in saturated groundwater systems. The code uses MODFLOW to simulate flow and several modules of MT3DMS to simulate the advection and dispersion processes. RT3D employs the operator-split strategy which allows the code solve the coupled reactive transport problem in a modular fashion. The coupling between reaction and transport is defined through a separate module where the reaction equations are specified. The code supports a versatile user-defined reaction option that allows users to define their own reaction system through a Fortran-90 subroutine, known as the RT3D-reaction package. Further a utility code, known as BATCHRXN, allows the users to independently test and debug their reaction package. To analyze a new reaction system at a batch scale, users should first run BATCHRXN to test the ability of their reaction package to model the batch data. After testing, the reaction package can simply be ported to the RT3D environment to study the model response under 1-, 2-, or 3-dimensional transport conditions. This paper presents example problems that demonstrate the methods for moving from batch to field-scale simulations using BATCHRXN and RT3D codes. The first example describes a simple first-order reaction system for simulating the sequential degradation of Tetrachloroethene (PCE) and its daughter products. The second example uses a relatively complex reaction system for describing the multiple degradation pathways of Tetrachloroethane (PCA) and its daughter products. References 1) Clement, T.P, RT3D - A modular computer code for simulating reactive multi-species transport in 3-Dimensional groundwater aquifers, Battelle Pacific Northwest National Laboratory Research Report, PNNL-SA-28967, September, 1997. Available at: http://bioprocess.pnl.gov/rt3d.htm.

  5. Pore-scale simulation of multicomponent multiphase reactive transport with dissolution and precipitation

    CERN Document Server

    Chen, Li; Tang, Qing; Robinson, Bruce A; He, Ya-Ling; Tao, Wen-Quan

    2014-01-01

    Multicomponent multiphase reactive transport processes with dissolution-precipitation are widely encountered in energy and environment systems. A pore-scale two-phase multi-mixture model based on the lattice Boltzmann method (LBM) is developed for such complex transport processes, where each phase is considered as a mixture of miscible components in it. The liquid-gas fluid flow with large density ratio is simulated using the multicomponent multiphase pseudo-potential LB model; the transport of certain solute in the corresponding solvent is solved using the mass transport LB model; and the dynamic evolutions of the liquid-solid interface due to dissolution-precipitation are captured by an interface tracking scheme. The model developed can predict coupled multiple physicochemical processes including multiphase flow, multicomponent mass transport, homogeneous reactions in the bulk fluid and heterogeneous dissolution-precipitation reactions at the fluid-solid interface, and dynamic evolution of the solid matrix ...

  6. Application of a data assimilation method via an ensemble Kalman filter to reactive urea hydrolysis transport modeling

    Energy Technology Data Exchange (ETDEWEB)

    Juxiu Tong; Bill X. Hu; Hai Huang; Luanjin Guo; Jinzhong Yang

    2014-03-01

    With growing importance of water resources in the world, remediations of anthropogenic contaminations due to reactive solute transport become even more important. A good understanding of reactive rate parameters such as kinetic parameters is the key to accurately predicting reactive solute transport processes and designing corresponding remediation schemes. For modeling reactive solute transport, it is very difficult to estimate chemical reaction rate parameters due to complex processes of chemical reactions and limited available data. To find a method to get the reactive rate parameters for the reactive urea hydrolysis transport modeling and obtain more accurate prediction for the chemical concentrations, we developed a data assimilation method based on an ensemble Kalman filter (EnKF) method to calibrate reactive rate parameters for modeling urea hydrolysis transport in a synthetic one-dimensional column at laboratory scale and to update modeling prediction. We applied a constrained EnKF method to pose constraints to the updated reactive rate parameters and the predicted solute concentrations based on their physical meanings after the data assimilation calibration. From the study results we concluded that we could efficiently improve the chemical reactive rate parameters with the data assimilation method via the EnKF, and at the same time we could improve solute concentration prediction. The more data we assimilated, the more accurate the reactive rate parameters and concentration prediction. The filter divergence problem was also solved in this study.

  7. Reactive Transport Modeling of Microbe-mediated Fe (II) Oxidation for Enhanced Oil Recovery

    Science.gov (United States)

    Surasani, V.; Li, L.

    2011-12-01

    Microbially Enhanced Oil Recovery (MEOR) aims to improve the recovery of entrapped heavy oil in depleted reservoirs using microbe-based technology. Reservoir ecosystems often contain diverse microbial communities those can interact with subsurface fluids and minerals through a network of nutrients and energy fluxes. Microbe-mediated reactions products include gases, biosurfactants, biopolymers those can alter the properties of oil and interfacial interactions between oil, brine, and rocks. In addition, the produced biomass and mineral precipitates can change the reservoir permeability profile and increase sweeping efficiency. Under subsurface conditions, the injection of nitrate and Fe (II) as the electron acceptor and donor allows bacteria to grow. The reaction products include minerals such as Fe(OH)3 and nitrogen containing gases. These reaction products can have large impact on oil and reservoir properties and can enhance the recovery of trapped oil. This work aims to understand the Fe(II) oxidation by nitrate under conditions relevant to MEOR. Reactive transport modeling is used to simulate the fluid flow, transport, and reactions involved in this process. Here we developed a complex reactive network for microbial mediated nitrate-dependent Fe (II) oxidation that involves both thermodynamic controlled aqueous reactions and kinetic controlled Fe (II) mineral reaction. Reactive transport modeling is used to understand and quantify the coupling between flow, transport, and reaction processes. Our results identify key parameter controls those are important for the alteration of permeability profile under field conditions.

  8. ParFlow.RT: Development and Verification of a New Reactive Transport Model

    Science.gov (United States)

    Beisman, J. J., III

    2015-12-01

    In natural subsurface systems, total elemental fluxes are often heavily influenced by areas of disproportionately high reaction rates. These pockets of high reaction rates tend to occur at interfaces, such as the hyporheic zone, where a hydrologic flowpath converges with either a chemically distinct hydrologic flowpath or a reactive substrate. Understanding the affects that these highly reactive zones have on the behavior of shallow subsurface systems is integral to the accurate quantification of nutrient fluxes and biogeochemical cycling. Numerical simulations of these systems may be able to offer some insight. To that end, we have developed a new reactive transport model, ParFlow.RT, by coupling the parallel flow and transport code ParFlow with the geochemical engines of both PFLOTRAN and CrunchFlow. The coupling was accomplished via the Alquimia biogeochemistry API, which provides a unified interface to several geochemical codes and allows a relatively simple implementation of advanced geochemical functionality in flow and transport codes. This model uses an operator-splitting approach, where the transport and reaction steps are solved separately. Here, we present the details of this new model, and the results of verification simulations and biogeochemical cycling simulations of the DOE's East River field site outside of Gothic, CO.

  9. Curvature effects in two-dimensional optical devices inspired by transformation optics

    KAUST Repository

    Yuan, Shuhao

    2016-11-14

    Light transport in curved quasi two-dimensional waveguides is considered theoretically. Within transformation optics and tensor theory, a concise description of curvature effects on transverse electric and magnetic waves is derived. We show that the curvature can induce light focusing and photonic crystal properties, which are confirmed by finite element simulations. Our results indicate that the curvature is an effective parameter for designing quasi two-dimensional optical devices in the fields of micro and nano photonics. © 2016 Author(s).

  10. Contaminant transport at a waste residue deposit: 1. Inverse flow and non-reactive transport modelling

    DEFF Research Database (Denmark)

    Sonnenborg, Torben Obel; Engesgaard, Peter Knudegaard; Rosbjerg, Dan

    1996-01-01

    and transport simulation model is combined with nonlinear least squares multiple regression. The U.S. Geological Survey method of characteristics model is used to simulate flow and transport, and the optimization part is solved using a Levenberg-Marquardt algorithm. The sensitivity of the optimization approach...

  11. The Chandrasekhar's Equation for Two-Dimensional Hypothetical White Dwarfs

    CERN Document Server

    De, Sanchari

    2014-01-01

    In this article we have extended the original work of Chandrasekhar on the structure of white dwarfs to the two-dimensional case. Although such two-dimensional stellar objects are hypothetical in nature, we strongly believe that the work presented in this article may be prescribed as Master of Science level class problem for the students in physics.

  12. Beginning Introductory Physics with Two-Dimensional Motion

    Science.gov (United States)

    Huggins, Elisha

    2009-01-01

    During the session on "Introductory College Physics Textbooks" at the 2007 Summer Meeting of the AAPT, there was a brief discussion about whether introductory physics should begin with one-dimensional motion or two-dimensional motion. Here we present the case that by starting with two-dimensional motion, we are able to introduce a considerable…

  13. Spatiotemporal surface solitons in two-dimensional photonic lattices.

    Science.gov (United States)

    Mihalache, Dumitru; Mazilu, Dumitru; Lederer, Falk; Kivshar, Yuri S

    2007-11-01

    We analyze spatiotemporal light localization in truncated two-dimensional photonic lattices and demonstrate the existence of two-dimensional surface light bullets localized in the lattice corners or the edges. We study the families of the spatiotemporal surface solitons and their properties such as bistability and compare them with the modes located deep inside the photonic lattice.

  14. Explorative data analysis of two-dimensional electrophoresis gels

    DEFF Research Database (Denmark)

    Schultz, J.; Gottlieb, D.M.; Petersen, Marianne Kjerstine;

    2004-01-01

    Methods for classification of two-dimensional (2-DE) electrophoresis gels based on multivariate data analysis are demonstrated. Two-dimensional gels of ten wheat varieties are analyzed and it is demonstrated how to classify the wheat varieties in two qualities and a method for initial screening...

  15. Mechanics of Apparent Horizon in Two Dimensional Dilaton Gravity

    CERN Document Server

    Cai, Rong-Gen

    2016-01-01

    In this article, we give a definition of apparent horizon in a two dimensional general dilaton gravity theory. With this definition, we construct the mechanics of the apparent horizon by introducing a quasi-local energy of the theory. Our discussion generalizes the apparent horizons mechanics in general spherically symmetric spactimes in four or higher dimensions to the two dimensional dilaton gravity case.

  16. Topological aspect of disclinations in two-dimensional crystals

    Institute of Scientific and Technical Information of China (English)

    Qi Wei-Kai; Zhu Tao; Chen Yong; Ren Ji-Rong

    2009-01-01

    By using topological current theory, this paper studies the inner topological structure of disclinations during the melting of two-dimensional systems. From two-dimensional elasticity theory, it finds that there are topological currents for topological defects in homogeneous equation. The evolution of disclinations is studied, and the branch conditions for generating, annihilating, crossing, splitting and merging of disclinations are given.

  17. Invariant Subspaces of the Two-Dimensional Nonlinear Evolution Equations

    Directory of Open Access Journals (Sweden)

    Chunrong Zhu

    2016-11-01

    Full Text Available In this paper, we develop the symmetry-related methods to study invariant subspaces of the two-dimensional nonlinear differential operators. The conditional Lie–Bäcklund symmetry and Lie point symmetry methods are used to construct invariant subspaces of two-dimensional differential operators. We first apply the multiple conditional Lie–Bäcklund symmetries to derive invariant subspaces of the two-dimensional operators. As an application, the invariant subspaces for a class of two-dimensional nonlinear quadratic operators are provided. Furthermore, the invariant subspace method in one-dimensional space combined with the Lie symmetry reduction method and the change of variables is used to obtain invariant subspaces of the two-dimensional nonlinear operators.

  18. Towards a filtered density function approach for reactive transport in groundwater

    Science.gov (United States)

    Suciu, N.; Schüler, L.; Attinger, S.; Knabner, P.

    2016-04-01

    Evolution equations for probability density functions (PDFs) and filtered density functions (FDFs) of random species concentrations weighted by conserved scalars are formulated as Fokker-Planck equations describing stochastically equivalent processes in concentration-position spaces. This approach provides consistent numerical PDF/FDF solutions, given by the density in the concentration-position space of an ensemble of computational particles governed by the associated Itô equations. The solutions are obtained by a global random walk (GRW) algorithm, which is stable, free of numerical diffusion, and practically insensitive to the increase of the number of particles. The general FDF approach and the GRW numerical solution are illustrated for a reduced complexity problem consisting of the transport of a single scalar in groundwater. Randomness is induced by the stochastic parameterization of the hydraulic conductivity, characterized by short range correlations and small variance. The objective is to infer the statistics of the random concentration sampled at the plume center of mass, integrated over the transverse dimension of a two-dimensional spatial domain. The PDF/FDF problem can therefore be formulated in a two-dimensional domain as well, a spatial dimension and one in the concentration space. The upscaled drift and diffusion coefficients describing the PDF transport in the physical space are estimated on single-trajectories of diffusion in velocity fields with short-range correlations, owing to their self-averaging property. The mixing coefficients describing the PDF transport in concentration spaces are parameterized by the trend and the noise inferred from the statistical analysis of an ensemble of simulated concentration time series, as well as by classical mixing models. A Gaussian spatial filter applied to a Kraichnan velocity field generator is used to construct coarse-grained simulations (CGS) for FDF problems. The purposes of the CGS simulations are

  19. Experimental Investigation of Two-Dimensional Shock Initiation Process of Cast Composition B

    Institute of Scientific and Technical Information of China (English)

    黄风雷; 胡湘渝

    2004-01-01

    A two-streak high-speed photography measuring system is designed, which can successfully record the reactive shock front and the reaction profile within the run distance of shock initiation under two-dimensional shock initiation. The strong reaction delay time and the shape of reaction shock front are determined in the cast composition B (RDX/TNT/60/40). A low level reaction zone has been found and analyzed.

  20. Abiotic/biotic coupling in the rhizosphere: a reactive transport modeling analysis

    Science.gov (United States)

    Lawrence, Corey R.; Steefel, Carl; Maher, Kate

    2014-01-01

    A new generation of models is needed to adequately simulate patterns of soil biogeochemical cycling in response changing global environmental drivers. For example, predicting the influence of climate change on soil organic matter storage and stability requires models capable of addressing complex biotic/abiotic interactions of rhizosphere and weathering processes. Reactive transport modeling provides a powerful framework simulating these interactions and the resulting influence on soil physical and chemical characteristics. Incorporation of organic reactions in an existing reactive transport model framework has yielded novel insights into soil weathering and development but much more work is required to adequately capture root and microbial dynamics in the rhizosphere. This endeavor provides many advantages over traditional soil biogeochemical models but also many challenges.

  1. Semianalytical Solutions of Radioactive or Reactive Tracer Transport in Layered Fractured Media

    Energy Technology Data Exchange (ETDEWEB)

    G.J. Moridis; G. S. Bodvarsson

    2001-10-01

    In this paper, semianalytical solutions are developed for the problem of transport of radioactive or reactive tracers (solutes or colloids) through a layered system of heterogeneous fractured media with misaligned fractures. The tracer transport equations in the matrix account for (a) diffusion, (b) surface diffusion (for solutes only), (c) mass transfer between the mobile and immobile water fractions, (d) linear kinetic or equilibrium physical, chemical, or combined solute sorption or colloid filtration, and (e) radioactive decay or first order chemical reactions. Any number of radioactive decay daughter products (or products of a linear, first-order reaction chain) can be tracked. The tracer-transport equations in the fractures account for the same processes, in addition to advection and hydrodynamic dispersion. Additionally, the colloid transport equations account for straining and velocity adjustments related to the colloidal size. The solutions, which are analytical in the Laplace space, are numerically inverted to provide the solution in time and can accommodate any number of fractured and/or porous layers. The solutions are verified using analytical solutions for limiting cases of solute and colloid transport through fractured and porous media. The effect of important parameters on the transport of {sup 3}H, {sup 237}Np and {sup 239}Pu (and its daughters) is investigated in several test problems involving layered geological systems of varying complexity. {sup 239}Pu colloid transport problems in multilayered systems indicate significant colloid accumulations at straining interfaces but much faster transport of the colloid than the corresponding strongly sorbing solute species.

  2. Semianalytical solutions of radioactive or reactive tracer transport in layered fractured media

    Energy Technology Data Exchange (ETDEWEB)

    Moridis, G.J.; Bodvarsson, G.S.

    2001-10-10

    In this paper, semianalytical solutions are developed for the problem of transport of radioactive or reactive tracers (solutes or colloids) through a layered system of heterogeneous fractured media with misaligned fractures. The tracer transport equations in the matrix account for (a) diffusion, (b) surface diffusion (for solutes only), (c) mass transfer between the mobile and immobile water fractions, (d) linear kinetic or equilibrium physical, chemical, or combined solute sorption or colloid filtration, and (e) radioactive decay or first order chemical reactions. Any number of radioactive decay daughter products (or products of a linear, first-order reaction chain) can be tracked. The tracer-transport equations in the fractures account for the same processes, in addition to advection and hydrodynamic dispersion. Additionally, the colloid transport equations account for straining and velocity adjustments related to the colloidal size. The solutions, which are analytical in the Laplace space, are numerically inverted to provide the solution in time and can accommodate any number of fractured and/or porous layers. The solutions are verified using analytical solutions for limiting cases of solute and colloid transport through fractured and porous media. The effect of important parameters on the transport of {sup 3}H, {sup 237}Np and {sup 239}Pu (and its daughters) is investigated in several test problems involving layered geological systems of varying complexity. {sup 239}Pu colloid transport problems in multilayered systems indicate significant colloid accumulations at straining interfaces but much faster transport of the colloid than the corresponding strongly sorbing solute species.

  3. Reactive transport modeling at uranium in situ recovery sites: uncertainties in uranium sorption on iron hydroxides

    Science.gov (United States)

    Johnson, Raymond H.; Tutu, Hlanganani; Brown, Adrian; Figueroa, Linda; Wolkersdorfer, Christian

    2013-01-01

    Geochemical changes that can occur down gradient from uranium in situ recovery (ISR) sites are important for various stakeholders to understand when evaluating potential effects on surrounding groundwater quality. If down gradient solid-phase material consists of sandstone with iron hydroxide coatings (no pyrite or organic carbon), sorption of uranium on iron hydroxides can control uranium mobility. Using one-dimensional reactive transport models with PHREEQC, two different geochemical databases, and various geochemical parameters, the uncertainties in uranium sorption on iron hydroxides are evaluated, because these oxidized zones create a greater risk for future uranium transport than fully reduced zones where uranium generally precipitates.

  4. Modeling non-isothermal multiphase multi-species reactive chemical transport in geologic media

    Energy Technology Data Exchange (ETDEWEB)

    Tianfu Xu; Gerard, F.; Pruess, K.; Brimhall, G.

    1997-07-01

    The assessment of mineral deposits, the analysis of hydrothermal convection systems, the performance of radioactive, urban and industrial waste disposal, the study of groundwater pollution, and the understanding of natural groundwater quality patterns all require modeling tools that can consider both the transport of dissolved species as well as their interactions with solid (or other) phases in geologic media and engineered barriers. Here, a general multi-species reactive transport formulation has been developed, which is applicable to homogeneous and/or heterogeneous reactions that can proceed either subject to local equilibrium conditions or kinetic rates under non-isothermal multiphase flow conditions. Two numerical solution methods, the direct substitution approach (DSA) and sequential iteration approach (SIA) for solving the coupled complex subsurface thermo-physical-chemical processes, are described. An efficient sequential iteration approach, which solves transport of solutes and chemical reactions sequentially and iteratively, is proposed for the current reactive chemical transport computer code development. The coupled flow (water, vapor, air and heat) and solute transport equations are also solved sequentially. The existing multiphase flow code TOUGH2 and geochemical code EQ3/6 are used to implement this SIA. The flow chart of the coupled code TOUGH2-EQ3/6, required modifications of the existing codes and additional subroutines needed are presented.

  5. One-Dimensional Transport with Equilibrium Chemistry (OTEQ) - A Reactive Transport Model for Streams and Rivers

    Science.gov (United States)

    Runkel, Robert L.

    2010-01-01

    OTEQ is a mathematical simulation model used to characterize the fate and transport of waterborne solutes in streams and rivers. The model is formed by coupling a solute transport model with a chemical equilibrium submodel. The solute transport model is based on OTIS, a model that considers the physical processes of advection, dispersion, lateral inflow, and transient storage. The equilibrium submodel is based on MINTEQ, a model that considers the speciation and complexation of aqueous species, acid-base reactions, precipitation/dissolution, and sorption. Within OTEQ, reactions in the water column may result in the formation of solid phases (precipitates and sorbed species) that are subject to downstream transport and settling processes. Solid phases on the streambed may also interact with the water column through dissolution and sorption/desorption reactions. Consideration of both mobile (waterborne) and immobile (streambed) solid phases requires a unique set of governing differential equations and solution techniques that are developed herein. The partial differential equations describing physical transport and the algebraic equations describing chemical equilibria are coupled using the sequential iteration approach. The model's ability to simulate pH, precipitation/dissolution, and pH-dependent sorption provides a means of evaluating the complex interactions between instream chemistry and hydrologic transport at the field scale. This report details the development and application of OTEQ. Sections of the report describe model theory, input/output specifications, model applications, and installation instructions. OTEQ may be obtained over the Internet at http://water.usgs.gov/software/OTEQ.

  6. Quantifying leaf venation patterns: two-dimensional maps.

    Science.gov (United States)

    Rolland-Lagan, Anne-Gaëlle; Amin, Mira; Pakulska, Malgosia

    2009-01-01

    The leaf vasculature plays crucial roles in transport and mechanical support. Understanding how vein patterns develop and what underlies pattern variation between species has many implications from both physiological and evolutionary perspectives. We developed a method for extracting spatial vein pattern data from leaf images, such as vein densities and also the sizes and shapes of the vein reticulations. We used this method to quantify leaf venation patterns of the first rosette leaf of Arabidopsis thaliana throughout a series of developmental stages. In particular, we characterized the size and shape of vein network areoles (loops), which enlarge and are split by new veins as a leaf develops. Pattern parameters varied in time and space. In particular, we observed a distal to proximal gradient in loop shape (length/width ratio) which varied over time, and a margin-to-center gradient in loop sizes. Quantitative analyses of vein patterns at the tissue level provide a two-way link between theoretical models of patterning and molecular experimental work to further explore patterning mechanisms during development. Such analyses could also be used to investigate the effect of environmental factors on vein patterns, or to compare venation patterns from different species for evolutionary studies. The method also provides a framework for gathering and overlaying two-dimensional maps of point, line and surface morphological data.

  7. Two-Dimensional Heat Transfer in a Heterogeneous Fracture Network

    Science.gov (United States)

    Gisladottir, V. R.; Roubinet, D.; Tartakovsky, D. M.

    2015-12-01

    Geothermal energy harvesting requires extraction and injection of geothermal fluid. Doing so in an optimal way requires a quantitative understanding of site-specific heat transfer between geothermal fluid and the ambient rock. We develop a heat transfer particle-tracking approach to model that interaction. Fracture-network models of heat transfer in fractured rock explicitly account for the presence of individual fractures, ambient rock matrix, and fracture-matrix interfaces. Computational domains of such models span the meter scale, whereas fracture apertures are on the millimeter scale. The computations needed to model these multi-scale phenomenon can be prohibitively expensive, even for methods using nonuniform meshes. Our approach appreciably decreases the computational costs. Current particle-tracking methods usually assume both infinite matrix and one-dimensional (1D) heat transfer in the matrix blocks. They rely on 1D analytical solutions for heat transfer in a single fracture, which can lead to large predictive errors. Our two-dimensional (2D) heat transfer simulation algorithm is mesh-free and takes into account both longitudinal and transversal heat conduction in the matrix. It uses a probabilistic model to transfer particle to the appropriate neighboring fracture unless it returns to the fracture of origin or remains in the matrix. We use this approach to look at the impact of a fracture-network topology (e.g. the importance of smaller scale fractures), as well as the matrix block distribution on the heat transport in heterogeneous fractured rocks.

  8. Band alignment of two-dimensional lateral heterostructures

    Science.gov (United States)

    Zhang, Junfeng; Xie, Weiyu; Zhao, Jijun; Zhang, Shengbai

    2017-03-01

    Recent experimental synthesis of two-dimensional (2D) heterostructures opens a door to new opportunities in tailoring the electronic properties for novel 2D devices. Here, we show that a wide range of lateral 2D heterostructures could have a prominent advantage over the traditional three-dimensional (3D) heterostructures, because their band alignments are insensitive to the interfacial conditions. They should be at the Schottky-Mott limits for semiconductor-metal junctions and at the Anderson limits for semiconductor junctions, respectively. This fundamental difference from the 3D heterostructures is rooted in the fact that, in the asymptotic limit of large distance, the effect of the interfacial dipole vanishes for 2D systems. Due to the slow decay of the dipole field and the dependence on the vacuum thickness, however, studies based on first-principles calculations often failed to reach such a conclusion. Taking graphene/hexagonal-BN and MoS2/WS2 lateral heterostructures as the respective prototypes, we show that the converged junction width can be order of magnitude longer than that for 3D junctions. The present results provide vital guidance to high-quality transport devices wherever a lateral 2D heterostructure is involved.

  9. Two-dimensional discrete gap breathers in a two-dimensional discrete diatomic Klein-Gordon lattice

    Institute of Scientific and Technical Information of China (English)

    XU Quan; QIANG Tian

    2009-01-01

    We study the existence and stability of two-dimensional discrete breathers in a two-dimensional discrete diatomic Klein-Gordon lattice consisting of alternating light and heavy atoms, with nearest-neighbor harmonic coupling.Localized solutions to the corresponding nonlinear differential equations with frequencies inside the gap of the linear wave spectrum, i.e. two-dimensional gap breathers, are investigated numerically. The numerical results of the corresponding algebraic equations demonstrate the possibility of the existence of two-dimensional gap breathers with three types of symmetries, i.e., symmetric, twin-antisymmetric and single-antisymmetric. Their stability depends on the nonlinear on-site potential (soft or hard), the interaction potential (attractive or repulsive)and the center of the two-dimensional gap breather (on a light or a heavy atom).

  10. RAFT: A simulator for ReActive Flow and Transport of groundwater contaminants

    Energy Technology Data Exchange (ETDEWEB)

    Chilakapati, A

    1995-07-01

    This report documents the use of the simulator RAFT for the ReActive flow and Transport of groundwater contaminants. RAFT can be used as a predictive tool in the design and analysis of laboratory and field experiments or it can be used for the estimation of model/process parameters from experiments. RAFT simulates the reactive transport of groundwater contaminants in one, two-, or three-dimensions and it can model user specified source/link configurations and arbitrary injection strategies. A suite of solvers for transport, reactions and regression are employed so that a combination of numerical methods best suited for a problem can be chosen. User specified coupled equilibrium and kinetic reaction systems can be incorporated into RAFT. RAFT is integrated with a symbolic computational language MAPLE, to automate code generation for arbitrary reaction systems. RAFT is expected to be used as a simulator for engineering design for field experiments in groundwater remediation including bioremediation, reactive barriers and redox manipulation. As an integrated tool with both the predictive ability and the ability to analyze experimental data, RAFT can help in the development of remediation technologies, from laboratory to field.

  11. Integrating a compressible multicomponent two-phase flow into an existing reactive transport simulator

    Science.gov (United States)

    Sin, Irina; Lagneau, Vincent; Corvisier, Jérôme

    2017-02-01

    This work aims to incorporate compressible multiphase flow into the conventional reactive transport framework using an operator splitting approach. This new approach would allow us to retain the general paradigm of the flow module independent of the geochemical processes and to model complex multiphase chemical systems, conserving the versatile structure of conventional reactive transport. The phase flow formulation is employed to minimize the number of mass conservation nonlinear equations arising from the flow module. Applying appropriate equations of state facilitated precise descriptions of the compressible multicomponent phases, their thermodynamic properties and relevant fluxes. The proposed flow coupling method was implemented in the reactive transport software HYTEC. The entire framework preserves its flexibility for further numerical developments. The verification of the coupling was achieved by modeling a problem with a self-similar solution. The simulation of a 2D CO2-injection problem demonstrates the pertinent physical results and computational efficiency of this method. The coupling method was employed for modeling injection of acid gas mixture in carbonated reservoir.

  12. Toward Optimized Bioclogging and Biocementation Through Combining Advanced Geophysical Monitoring and Reactive Transport Modeling Approaches

    Science.gov (United States)

    Hubbard, C. G.; Hubbard, S. S.; Wu, Y.; Surasani, V.; Ajo Franklin, J. B.; Commer, M.; Dou, S.; Kwon, T.; Li, L.; Fouke, B. W.; Coates, J. D.

    2012-12-01

    Bioclogging and biocementation offer exciting opportunities for solutions to diverse problems ranging from soil stabilization to microbially enhanced hydrocarbon recovery. The effectiveness of bioclogging and biocementation strategies is governed by processes and properties ranging from microbial metabolism at the submicron scale, to changes in pore geometry at the pore scale, to geological heterogeneities at the field scale. Optimization of these strategies requires advances in mechanistic reactive transport modeling and geophysical monitoring methodologies. Our research focuses on (i) performing laboratory experiments to refine understanding of reaction networks and to quantify changes in hydrological properties (e.g. permeability), the evolution of biominerals and geophysical responses (focusing on seismic and electrical techniques); (ii) developing and using a reactive transport simulator capable of predicting the induced metabolic processes to numerically explore how to optimize the desired effect; and (iii) using loosely coupled reactive transport and geophysical simulators to explore detectability and resolvability of induced bioclogging and biocementation processes at the field scale using time-lapse geophysical methods. Here we present examples of our research focused on three different microbially-mediated methods to enhance hydrocarbon recovery through selective clogging of reservior thief zones, including: (a) biopolymer clogging through dextran production; (b) biomineral clogging through iron oxide precipitation; and (c) biomineral clogging through carbonate precipitation. We will compare the utility of these approaches for enhancing hydrocarbon recovery and will describe the utility of geophysical methods to remotely monitor associated field treatments.

  13. Two-dimensional materials for novel liquid separation membranes

    Science.gov (United States)

    Ying, Yulong; Yang, Yefeng; Ying, Wen; Peng, Xinsheng

    2016-08-01

    Demand for a perfect molecular-level separation membrane with ultrafast permeation and a robust mechanical property for any kind of species to be blocked in water purification and desalination is urgent. In recent years, due to their intrinsic characteristics, such as a unique mono-atom thick structure, outstanding mechanical strength and excellent flexibility, as well as facile and large-scale production, graphene and its large family of two-dimensional (2D) materials are regarded as ideal membrane materials for ultrafast molecular separation. A perfect separation membrane should be as thin as possible to maximize its flux, mechanically robust and without failure even if under high loading pressure, and have a narrow nanochannel size distribution to guarantee its selectivity. The latest breakthrough in 2D material-based membranes will be reviewed both in theories and experiments, including their current state-of-the-art fabrication, structure design, simulation and applications. Special attention will be focused on the designs and strategies employed to control microstructures to enhance permeation and selectivity for liquid separation. In addition, critical views on the separation mechanism within two-dimensional material-based membranes will be provided based on a discussion of the effects of intrinsic defects during growth, predefined nanopores and nanochannels during subsequent fabrication processes, the interlayer spacing of stacking 2D material flakes and the surface charge or functional groups. Furthermore, we will summarize the significant progress of these 2D material-based membranes for liquid separation in nanofiltration/ultrafiltration and pervaporation. Lastly, we will recall issues requiring attention, and discuss existing questionable conclusions in some articles and emerging challenges. This review will serve as a valuable platform to provide a compact source of relevant and timely information about the development of 2D material-based membranes as

  14. The Dynamics of Water in Porous Two-Dimensional Crystals.

    Science.gov (United States)

    Strong, Steven E; Eaves, Joel D

    2017-01-12

    Porous two-dimensional crystals offer many promises for water desalination applications. For computer simulation to play a predictive role in this area, however, one needs to have reliable methods for simulating an atomistic system with hydrodynamic currents and interpretative tools to relate microscopic interactions to emergent macroscopic dynamical quantities, such as friction, slip length, and permeability. In this article, we use Gaussian dynamics, a nonequilibrium molecular dynamics method that provides microscopic insights into the interactions that control the flows of both simple liquids and liquid water through atomically small channels. In simulations of aqueous transport, we mimic the effect of changing the membrane chemical composition by adjusting the attractive strength of the van der Waals interactions between the membrane atoms and water. We find that the wetting contact angle, a common measure of a membrane's hydrophobicity, does not predict the permeability of a membrane. Instead, the hydrophobic effect is subtle, with both static and dynamic effects that can both help and hinder water transport through these materials. The competition between the static and dynamical hydrophobicity balances an atomic membrane's tendency to wet against hydrodynamic friction, and determines an optimal contact angle for water passage through nonpolar membranes. To a reasonable approximation, the optimal contact angle depends only on the aspect ratio of the pore. We also find that water molecules pass through the most hydrophobic membranes in a punctuated series of bursts that are separated by long pauses. A continuous-time Markov model of these data provides evidence of a molecular analogue to the clogging transition, a phenomenon observed in driven granular flows.

  15. Two-dimensional simulation of polymer electrolyte membrane fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Hum, B.; Li, X. [Waterloo Univ., ON (Canada). Dept. of Mechanical Engineering

    2002-07-01

    Polymer electrolyte membrane (PEM) fuel cells have fast startup, are highly energy efficient and have high power density, rendering them very suitable for use in zero-emission vehicles and on-site power cogeneration. Before the PEM fuel cell can reach widespread commercial use, the performance has to be improved regarding the minimization of all transport resistances. This can be done by considering the electrochemical reactions in the catalyst layers along with the physical transport of reactant gas flows, product and process water, heat and the charged particles in the individual cells and stacks. This paper presents the results of a two-dimensional numerical simulation of a steady, isothermal, fully humidified PEM fuel cell which was conducted to examine what happens in the catalyst layers. The finite volume method was used together with the alternating direction implicit algorithm. It was determined that the cathode catalyst layer has more pronounced changes in potential, reaction rate and current density generation compared to the anode catalyst layer. This is because of the large cathode activation overpotential and the low diffusion coefficient of oxygen. It was demonstrated that catalyst layers, by nature, are 2 dimensional, particularly in areas of low reactant concentrations. Maximum power density is limited by the depletion of one of the reactants in the catalyst layer. Both the fuel and oxidant supply must be managed simultaneously for optimal cell performance. It was concluded that cell performance is not greatly affected by flow direction. It was noted that this analysis can also be used for more complex cell design, such as cross flow between reactant streams and practical serpentine flow channel design. 11 refs., 2 tabs., 10 figs.

  16. Stable isotope fractionations during reactive transport of phosphate in packed-bed sediment columns.

    Science.gov (United States)

    Jaisi, Deb P

    2013-11-01

    Characterizing reactivity and fate of contaminants in subsurface environments that are isolated from direct visualization is a major challenge. Stable isotopes coupled with concentration could be used as a potential tool to quantitatively analyze the chemical variability of the contaminant during reactive transport processes in the subsurface environment. This study was aimed at determining whether abiotic reactions of phosphate during its transport involve fractionation of oxygen isotopes in phosphate (δ(18)Op). It included the effects of solution chemistry and hydrodynamics on δ(18)Op values during phosphate transport through a packed-bed column prepared by using natural sediment collected from the Cape Cod aquifer in Massachusetts. Results show that the isotopic fractionation between effluent and influent phosphate at early stage of transport could be ~1.3‰ at higher flow rates with isotopically-light phosphate (P(16)O4) preferentially retained in the sediment column. This fractionation, however, decreased and became insignificant as more phosphate passed through the column. Mobilization of phosphate initially sorbed onto sediments caused a large kinetic isotopic fractionation with isotopically-light phosphate preferentially remobilized from the sediment column, but over longer time periods, this fractionation decreased and became insignificant as well. These results collectively suggest that abiotic reactive transport processes exert minimal influence on the δ(18)Op composition of subsurface systems. Alternatively, fluctuation in flow rate and subsequent remobilization of phosphate could be detectable through transient changes in δ(18)Op values. These findings extend the burgeoning application of δ(18)Op to identify the different sources and geochemical processes of phosphate in the subsurface environments.

  17. Stable isotope fractionations during reactive transport of phosphate in packed-bed sediment columns

    Science.gov (United States)

    Jaisi, Deb P.

    2013-11-01

    Characterizing reactivity and fate of contaminants in subsurface environments that are isolated from direct visualization is a major challenge. Stable isotopes coupled with concentration could be used as a potential tool to quantitatively analyze the chemical variability of the contaminant during reactive transport processes in the subsurface environment. This study was aimed at determining whether abiotic reactions of phosphate during its transport involve fractionation of oxygen isotopes in phosphate (δ18Op). It included the effects of solution chemistry and hydrodynamics on δ18Op values during phosphate transport through a packed-bed column prepared by using natural sediment collected from the Cape Cod aquifer in Massachusetts. Results show that the isotopic fractionation between effluent and influent phosphate at early stage of transport could be ~ 1.3‰ at higher flow rates with isotopically-light phosphate (P16O4) preferentially retained in the sediment column. This fractionation, however, decreased and became insignificant as more phosphate passed through the column. Mobilization of phosphate initially sorbed onto sediments caused a large kinetic isotopic fractionation with isotopically-light phosphate preferentially remobilized from the sediment column, but over longer time periods, this fractionation decreased and became insignificant as well. These results collectively suggest that abiotic reactive transport processes exert minimal influence on the δ18Op composition of subsurface systems. Alternatively, fluctuation in flow rate and subsequent remobilization of phosphate could be detectable through transient changes in δ18Op values. These findings extend the burgeoning application of δ18Op to identify the different sources and geochemical processes of phosphate in the subsurface environments.

  18. Two Dimensional Hydrodynamic Analysis of the Moose Creek Floodway

    Science.gov (United States)

    2012-09-01

    ER D C/ CH L TR -1 2 -2 0 Two Dimensional Hydrodynamic Analysis of the Moose Creek Floodway C oa st al a n d H yd ra u lic s La b or at...distribution is unlimited. ERDC/CHL TR-12-20 September 2012 Two Dimensional Hydrodynamic Analysis of the Moose Creek Floodway Stephen H. Scott, Jeremy A...A two-dimensional Adaptive Hydraulics (AdH) hydrodynamic model was developed to simulate the Moose Creek Floodway. The Floodway is located

  19. RESEARCH ON TWO-DIMENSIONAL LDA FOR FACE RECOGNITION

    Institute of Scientific and Technical Information of China (English)

    Han Ke; Zhu Xiuchang

    2006-01-01

    The letter presents an improved two-dimensional linear discriminant analysis method for feature extraction. Compared with the current two-dimensional methods for feature extraction, the improved two-dimensional linear discriminant analysis method makes full use of not only the row and the column direction information of face images but also the discriminant information among different classes. The method is evaluated using the Nanjing University of Science and Technology (NUST) 603 face database and the Aleix Martinez and Robert Benavente (AR) face database. Experimental results show that the method in the letter is feasible and effective.

  20. ONE-DIMENSIONAL AND TWO-DIMENSIONAL LEADERSHIP STYLES

    Directory of Open Access Journals (Sweden)

    Nikola Stefanović

    2007-06-01

    Full Text Available In order to motivate their group members to perform certain tasks, leaders use different leadership styles. These styles are based on leaders' backgrounds, knowledge, values, experiences, and expectations. The one-dimensional styles, used by many world leaders, are autocratic and democratic styles. These styles lie on the two opposite sides of the leadership spectrum. In order to precisely define the leadership styles on the spectrum between the autocratic leadership style and the democratic leadership style, leadership theory researchers use two dimensional matrices. The two-dimensional matrices define leadership styles on the basis of different parameters. By using these parameters, one can identify two-dimensional styles.

  1. Marine phages as excellent tracers for reactive colloidal transport in porous media

    Science.gov (United States)

    Ghanem, Nawras; Chatzinotas, Antonis; Harms, Hauke; Wick, Lukas Y.

    2016-04-01

    Question: Here we evaluate marine phages as specific markers of hydrological flow and reactive transport of colloidal particles in the Earth's critical zone (CZ). Marine phages and their bacterial hosts are naturally absent in the CZ, and can be detected with extremely high sensitivity. In the framework of the DFG Collaborative Research Center AquaDiva, we asked the following questions: (1) Are marine phages useful specific markers of hydrological flow and reactive transport in porous media? and (2) Which phage properties are relevant drivers for the transport of marine phages in porous media? Methods: Seven marine phages from different families (as well two commonly used terrestrial phages) were selected based on their morphology, size and physico-chemical surface properties (surface charge and hydrophobicity). Phage properties were assessed by electron microscopy, dynamic light scattering and water contact angle analysis (CA). Sand-filled laboratory percolation columns were used to study transport. The breakthrough curves of the phages were analyzed using the clean bed filtration theory and the XDLVO theory of colloid stability, respectively. Phages were quantified by a modified high- throughput plaque assay and a culture-independent particle counting method approach. Results: Our data show that most marine tested phages exhibited highly variable transport rates and deposition efficiency, yet generally high colloidal stability and viability. We find that size, morphology and hydrophobicity are key factors shaping the transport efficiency of phages. Differing deposition efficiencies of the phages were also supported by calculated XDLVO interaction energy profile. Conclusion: Marine phages have a high potential for the use as sensitive tracers in terrestrial habitats with their surface properties playing a crucial role for their transport. Marine phages however, exhibit differences in their deposition efficiency depending on their morphology, hydrophobicity and

  2. Subsurface Transport Over Reactive Multiphases (STORM): A general, coupled, nonisothermal multiphase flow, reactive transport, and porous medium alteration simulator, Version 2 user's guide

    Energy Technology Data Exchange (ETDEWEB)

    DH Bacon; MD White; BP McGrail

    2000-03-07

    The Hanford Site, in southeastern Washington State, has been used extensively to produce nuclear materials for the US strategic defense arsenal by the Department of Energy (DOE) and its predecessors, the US Atomic Energy Commission and the US Energy Research and Development Administration. A large inventory of radioactive and mixed waste has accumulated in 177 buried single- and double shell tanks. Liquid waste recovered from the tanks will be pretreated to separate the low-activity fraction from the high-level and transuranic wastes. Vitrification is the leading option for immobilization of these wastes, expected to produce approximately 550,000 metric tons of Low Activity Waste (LAW) glass. This total tonnage, based on nominal Na{sub 2}O oxide loading of 20% by weight, is destined for disposal in a near-surface facility. Before disposal of the immobilized waste can proceed, the DOE must approve a performance assessment, a document that described the impacts, if any, of the disposal facility on public health and environmental resources. Studies have shown that release rates of radionuclides from the glass waste form by reaction with water determine the impacts of the disposal action more than any other independent parameter. This report describes the latest accomplishments in the development of a computational tool, Subsurface Transport Over Reactive Multiphases (STORM), Version 2, a general, coupled non-isothermal multiphase flow and reactive transport simulator. The underlying mathematics in STORM describe the rate of change of the solute concentrations of pore water in a variably saturated, non-isothermal porous medium, and the alteration of waste forms, packaging materials, backfill, and host rocks.

  3. A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Fan [ORNL; Yeh, Gour-Tsyh [University of Central Florida, Orlando; Parker, Jack C [ORNL; Brooks, Scott C [ORNL; Pace, Molly [ORNL; Kim, Young Jin [ORNL; Jardine, Philip M [ORNL; Watson, David B [ORNL

    2007-01-01

    This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing NE equilibrium reactions and a set of reactive transport equations of M-NE kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions.

  4. A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions

    Science.gov (United States)

    Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C.; Brooks, Scott C.; Pace, Molly N.; Kim, Young-Jin; Jardine, Philip M.; Watson, David B.

    2007-06-01

    This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing NE equilibrium reactions and a set of reactive transport equations of M- NE kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions.

  5. Transport of Oil-in-Water Emulsions Designed to Deliver Reactive Iron Particles in Porous Media

    Science.gov (United States)

    Crocker, J. J.; Berge, N. D.; Ramsburg, C. A.

    2007-05-01

    Treatment of subsurface regions contaminated with DNAPL is a significant challenge to environmental restoration. The focus of remediation has recently shifted from technologies that recover the contamination to technologies that destroy the contamination in situ. One method of in situ contaminant destruction employs nano- or submicron-size particles of reactive iron metal. Application of iron-based destruction technologies is currently limited by poor delivery of the reactive particles (i.e., lack of contact between the iron particles and the DNAPL). Encapsulation of the reactive particles within an oil-in-water emulsion is a novel approach that may facilitate delivery. The goal of this project was to investigate the transport behavior of emulsions (Tallow oil, Tween 80, and Span 80) within porous media. One-dimensional column experiments were conducted to evaluate pore-clogging when emulsions containing encapsulated reactive particles were passed through two homogeneous sands with an order of magnitude difference in intrinsic permeability. In these experiments, passing an emulsion through the sand column (4.8 cm i.d.) at a constant flow rate (0.86 mL/min) increased the hydraulic gradient by a factor of approximately three. The hydraulic gradient in each experiment was observed to stabilize after one pore volume of emulsion. Subsequent flushing with water recovered the initial hydraulic gradient. Together, these observations indicate that conductivity reductions during emulsion flushing were the result of viscosity and not the result of extensive pore-clogging. Analysis of effluent samples confirmed that there was minimal retention of the emulsion within the sand column. Results from these experiments suggest that emulsion encapsulation may be an effective means for transporting reactive iron particles within the subsurface environment.

  6. Reactive silica transport in fractured porous media: Analytical solutions for a system of parallel fractures

    Science.gov (United States)

    Yang, Jianwen

    2012-04-01

    A general analytical solution is derived by using the Laplace transformation to describe transient reactive silica transport in a conceptualized 2-D system involving a set of parallel fractures embedded in an impermeable host rock matrix, taking into account of hydrodynamic dispersion and advection of silica transport along the fractures, molecular diffusion from each fracture to the intervening rock matrix, and dissolution of quartz. A special analytical solution is also developed by ignoring the longitudinal hydrodynamic dispersion term but remaining other conditions the same. The general and special solutions are in the form of a double infinite integral and a single infinite integral, respectively, and can be evaluated using Gauss-Legendre quadrature technique. A simple criterion is developed to determine under what conditions the general analytical solution can be approximated by the special analytical solution. It is proved analytically that the general solution always lags behind the special solution, unless a dimensionless parameter is less than a critical value. Several illustrative calculations are undertaken to demonstrate the effect of fracture spacing, fracture aperture and fluid flow rate on silica transport. The analytical solutions developed here can serve as a benchmark to validate numerical models that simulate reactive mass transport in fractured porous media.

  7. Anthropogenic contamination of a phreatic drinking water winning: 3-dimensional reactive transport modelling

    Science.gov (United States)

    Griffioen, J.; van der Grift, B.; Maas, D.; van den Brink, C.; Zaadnoordijk, J. W.

    2003-04-01

    Groundwater is contaminated at the regional scale by agricultural activities and atmospheric deposition. A 3-D transport model was set-up for a phreatic drinking water winning, where the groundwater composition was monitored accurately. The winning is situated at an area with unconsolidated Pleistocene deposits. The land use is nature and agriculture. Annual mass-balances were determined using a wide range of historic data. The modelling approach for the unsaturated zone was either simple box models (Cl, NO_3 and SO_4) or 1-D transport modelling using HYDRUS (Cd). The modelling approach for the saturated zone used a multiple solute version of MT3D, where denitrification associated with pyrite oxidation and sorption of Cd were included. The solute transport calculations were performed for the period 1950--2030. The results obtained for the year 2000 were used as input concentration for the period 2000--2030. A comparison between the calculated and the measured concentrations of groundwater abstracted for Cl, NO_3 and SO_4 yields the following. First, the input at the surface is rather well estimated. Second, the redox reactivity of the first two aquifers is negligible around the winning, which is confirmed by respiration experiments using anaerobically sampled aquifer sediments. The reactivity of the third aquifer, which is a marine deposit and lies at least 30 meters below surface, is considerable. The discrepancies between modelled and measured output are explained by lack of knowledge about the subsurface reactivity and/or wrong estimates of surface loading and leaching from the unsaturated zone. The patterns for other hydrogeochemical variables such as Ca, HCO_3 may further constrain this lack of knowledge. The results for Cd indicate that Cd becomes strongly retarded, despite the low reactivity of the sandy sediments. The winning is rather insensitive to Cd contamination (but the surface water drainage network is not). Two major uncertainties for input of Cd

  8. Reactive species in non-equilibrium atmospheric-pressure plasmas: Generation, transport, and biological effects

    Science.gov (United States)

    Lu, X.; Naidis, G. V.; Laroussi, M.; Reuter, S.; Graves, D. B.; Ostrikov, K.

    2016-05-01

    Non-equilibrium atmospheric-pressure plasmas have recently become a topical area of research owing to their diverse applications in health care and medicine, environmental remediation and pollution control, materials processing, electrochemistry, nanotechnology and other fields. This review focuses on the reactive electrons and ionic, atomic, molecular, and radical species that are produced in these plasmas and then transported from the point of generation to the point of interaction with the material, medium, living cells or tissues being processed. The most important mechanisms of generation and transport of the key species in the plasmas of atmospheric-pressure plasma jets and other non-equilibrium atmospheric-pressure plasmas are introduced and examined from the viewpoint of their applications in plasma hygiene and medicine and other relevant fields. Sophisticated high-precision, time-resolved plasma diagnostics approaches and techniques are presented and their applications to monitor the reactive species and plasma dynamics in the plasma jets and other discharges, both in the gas phase and during the plasma interaction with liquid media, are critically reviewed. The large amount of experimental data is supported by the theoretical models of reactive species generation and transport in the plasmas, surrounding gaseous environments, and plasma interaction with liquid media. These models are presented and their limitations are discussed. Special attention is paid to biological effects of the plasma-generated reactive oxygen and nitrogen (and some other) species in basic biological processes such as cell metabolism, proliferation, survival, etc. as well as plasma applications in bacterial inactivation, wound healing, cancer treatment and some others. Challenges and opportunities for theoretical and experimental research are discussed and the authors' vision for the emerging convergence trends across several disciplines and application domains is presented to

  9. Reactive species in non-equilibrium atmospheric-pressure plasmas: Generation, transport, and biological effects

    Energy Technology Data Exchange (ETDEWEB)

    Lu, X., E-mail: luxinpei@hotmail.com [State Key Laboratory of Advanced Electromagnetic Engineering and Technology, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); IFSA Collaborative Innovation Center, Shanghai Jiao Tong University, Shanghai 200240 (China); Naidis, G.V. [Joint Institute for High Temperatures, Russian Academy of Sciences, Moscow 125412 (Russian Federation); Laroussi, M. [Plasma Engineering & Medicine Institute, Old Dominion University, Norfolk, VA 23529 (United States); Reuter, S. [Leibniz Institute for Plasma Science and Technology, Felix-Hausdorff-Strasse 2, 17489 Greifswald (Germany); Graves, D.B. [Department of Chemical and Biomolecular Engineering, University of California, Berkeley, CA 94720 (United States); Ostrikov, K. [Institute for Future Environments, Queensland University of Technology, Brisbane, QLD 4000 (Australia); School of Physics, Chemistry, and Mechanical Engineering, Queensland University of Technology, Brisbane, QLD 4000 (Australia); Commonwealth Scientific and Industrial Research Organization, P.O.Box 218, Lindfield, NSW 2070 (Australia); School of Physics, The University of Sydney, Sydney, NSW 2006 (Australia)

    2016-05-04

    Non-equilibrium atmospheric-pressure plasmas have recently become a topical area of research owing to their diverse applications in health care and medicine, environmental remediation and pollution control, materials processing, electrochemistry, nanotechnology and other fields. This review focuses on the reactive electrons and ionic, atomic, molecular, and radical species that are produced in these plasmas and then transported from the point of generation to the point of interaction with the material, medium, living cells or tissues being processed. The most important mechanisms of generation and transport of the key species in the plasmas of atmospheric-pressure plasma jets and other non-equilibrium atmospheric-pressure plasmas are introduced and examined from the viewpoint of their applications in plasma hygiene and medicine and other relevant fields. Sophisticated high-precision, time-resolved plasma diagnostics approaches and techniques are presented and their applications to monitor the reactive species and plasma dynamics in the plasma jets and other discharges, both in the gas phase and during the plasma interaction with liquid media, are critically reviewed. The large amount of experimental data is supported by the theoretical models of reactive species generation and transport in the plasmas, surrounding gaseous environments, and plasma interaction with liquid media. These models are presented and their limitations are discussed. Special attention is paid to biological effects of the plasma-generated reactive oxygen and nitrogen (and some other) species in basic biological processes such as cell metabolism, proliferation, survival, etc. as well as plasma applications in bacterial inactivation, wound healing, cancer treatment and some others. Challenges and opportunities for theoretical and experimental research are discussed and the authors’ vision for the emerging convergence trends across several disciplines and application domains is presented to

  10. A Modular Computer Code for Simulating Reactive Multi-Species Transport in 3-Dimensional Groundwater Systems

    Energy Technology Data Exchange (ETDEWEB)

    TP Clement

    1999-06-24

    RT3DV1 (Reactive Transport in 3-Dimensions) is computer code that solves the coupled partial differential equations that describe reactive-flow and transport of multiple mobile and/or immobile species in three-dimensional saturated groundwater systems. RT3D is a generalized multi-species version of the US Environmental Protection Agency (EPA) transport code, MT3D (Zheng, 1990). The current version of RT3D uses the advection and dispersion solvers from the DOD-1.5 (1997) version of MT3D. As with MT3D, RT3D also requires the groundwater flow code MODFLOW for computing spatial and temporal variations in groundwater head distribution. The RT3D code was originally developed to support the contaminant transport modeling efforts at natural attenuation demonstration sites. As a research tool, RT3D has also been used to model several laboratory and pilot-scale active bioremediation experiments. The performance of RT3D has been validated by comparing the code results against various numerical and analytical solutions. The code is currently being used to model field-scale natural attenuation at multiple sites. The RT3D code is unique in that it includes an implicit reaction solver that makes the code sufficiently flexible for simulating various types of chemical and microbial reaction kinetics. RT3D V1.0 supports seven pre-programmed reaction modules that can be used to simulate different types of reactive contaminants including benzene-toluene-xylene mixtures (BTEX), and chlorinated solvents such as tetrachloroethene (PCE) and trichloroethene (TCE). In addition, RT3D has a user-defined reaction option that can be used to simulate any other types of user-specified reactive transport systems. This report describes the mathematical details of the RT3D computer code and its input/output data structure. It is assumed that the user is familiar with the basics of groundwater flow and contaminant transport mechanics. In addition, RT3D users are expected to have some experience in

  11. A study of two-dimensional magnetic polaron

    Institute of Scientific and Technical Information of China (English)

    LIU; Tao; ZHANG; Huaihong; FENG; Mang; WANG; Kelin

    2006-01-01

    By using the variational method and anneal simulation, we study in this paper the self-trapped magnetic polaron (STMP) in two-dimensional anti-ferromagnetic material and the bound magnetic polaron (BMP) in ferromagnetic material. Schwinger angular momentum theory is applied to changing the problem into a coupling problem of carriers and two types of Bosons. Our calculation shows that there are single-peak and multi-peak structures in the two-dimensional STMP. For the ferromagnetic material, the properties of the two-dimensional BMP are almost the same as that in one-dimensional case; but for the anti-ferromagnetic material, the two-dimensional STMP structure is much richer than the one-dimensional case.

  12. Two-Dimensionally-Modulated, Magnetic Structure of Neodymium Metal

    DEFF Research Database (Denmark)

    Lebech, Bente; Bak, P.

    1979-01-01

    The incipient magnetic order of dhcp Nd is described by a two-dimensional, incommensurably modulated structure ("triple-q" structure). The ordering is accompanied by a lattice distortion that forms a similar pattern....

  13. Entanglement Entropy for time dependent two dimensional holographic superconductor

    CERN Document Server

    Mazhari, N S; Myrzakulov, Kairat; Myrzakulov, R

    2016-01-01

    We studied entanglement entropy for a time dependent two dimensional holographic superconductor. We showed that the conserved charge of the system plays the role of the critical parameter to have condensation.

  14. Decoherence in a Landau Quantized Two Dimensional Electron Gas

    Directory of Open Access Journals (Sweden)

    McGill Stephen A.

    2013-03-01

    Full Text Available We have studied the dynamics of a high mobility two-dimensional electron gas as a function of temperature. The presence of satellite reflections in the sample and magnet can be modeled in the time-domain.

  15. Quantization of Two-Dimensional Gravity with Dynamical Torsion

    CERN Document Server

    Lavrov, P M

    1999-01-01

    We consider two-dimensional gravity with dynamical torsion in the Batalin - Vilkovisky and Batalin - Lavrov - Tyutin formalisms of gauge theories quantization as well as in the background field method.

  16. Spatiotemporal dissipative solitons in two-dimensional photonic lattices.

    Science.gov (United States)

    Mihalache, Dumitru; Mazilu, Dumitru; Lederer, Falk; Kivshar, Yuri S

    2008-11-01

    We analyze spatiotemporal dissipative solitons in two-dimensional photonic lattices in the presence of gain and loss. In the framework of the continuous-discrete cubic-quintic Ginzburg-Landau model, we demonstrate the existence of novel classes of two-dimensional spatiotemporal dissipative lattice solitons, which also include surface solitons located in the corners or at the edges of the truncated two-dimensional photonic lattice. We find the domains of existence and stability of such spatiotemporal dissipative solitons in the relevant parameter space, for both on-site and intersite lattice solitons. We show that the on-site solitons are stable in the whole domain of their existence, whereas most of the intersite solitons are unstable. We describe the scenarios of the instability-induced dynamics of dissipative solitons in two-dimensional lattices.

  17. Bound states of two-dimensional relativistic harmonic oscillators

    Institute of Scientific and Technical Information of China (English)

    Qiang Wen-Chao

    2004-01-01

    We give the exact normalized bound state wavefunctions and energy expressions of the Klein-Gordon and Dirac equations with equal scalar and vector harmonic oscillator potentials in the two-dimensional space.

  18. A two-dimensional polymer prepared by organic synthesis.

    Science.gov (United States)

    Kissel, Patrick; Erni, Rolf; Schweizer, W Bernd; Rossell, Marta D; King, Benjamin T; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji

    2012-02-05

    Synthetic polymers are widely used materials, as attested by a production of more than 200 millions of tons per year, and are typically composed of linear repeat units. They may also be branched or irregularly crosslinked. Here, we introduce a two-dimensional polymer with internal periodicity composed of areal repeat units. This is an extension of Staudinger's polymerization concept (to form macromolecules by covalently linking repeat units together), but in two dimensions. A well-known example of such a two-dimensional polymer is graphene, but its thermolytic synthesis precludes molecular design on demand. Here, we have rationally synthesized an ordered, non-equilibrium two-dimensional polymer far beyond molecular dimensions. The procedure includes the crystallization of a specifically designed photoreactive monomer into a layered structure, a photo-polymerization step within the crystal and a solvent-induced delamination step that isolates individual two-dimensional polymers as free-standing, monolayered molecular sheets.

  19. Second invariant for two-dimensional classical super systems

    Indian Academy of Sciences (India)

    S C Mishra; Roshan Lal; Veena Mishra

    2003-10-01

    Construction of superpotentials for two-dimensional classical super systems (for ≥ 2) is carried out. Some interesting potentials have been studied in their super form and also their integrability.

  20. On the multiplicity of solutions of the nonlinear reactive transport model

    Directory of Open Access Journals (Sweden)

    Elyas Shivanian

    2014-06-01

    Full Text Available The generalization of the nonlinear reaction–diffusion model in porous catalysts the so called one dimensional steady state reactive transport model is revisited. This model, which originates also in fluid and solute transport in soft tissues and microvessels, has been recently given analytical solution in terms of Taylor’s series for different families of reaction terms. This article considers the mentioned model without advective transport in the case of including Michaelis–Menten reaction term and shows that it is exactly solvable and furthermore, gives analytical exact solution in the implicit form for further physical interpretation. It is also revealed that the problem may admit unique or dual or even more triple solutions in some domains for the parameters of the model.

  1. Extreme paths in oriented two-dimensional percolation

    OpenAIRE

    Andjel, E. D.; Gray, L. F.

    2016-01-01

    International audience; A useful result about leftmost and rightmost paths in two dimensional bond percolation is proved. This result was introduced without proof in \\cite{G} in the context of the contact process in continuous time. As discussed here, it also holds for several related models, including the discrete time contact process and two dimensional site percolation. Among the consequences are a natural monotonicity in the probability of percolation between different sites and a somewha...

  2. Two Dimensional Nucleation Process by Monte Carlo Simulation

    OpenAIRE

    T., Irisawa; K., Matsumoto; Y., Arima; T., Kan; Computer Center, Gakushuin University; Department of Physics, Gakushuin University

    1997-01-01

    Two dimensional nucleation process on substrate is investigated by Monte Carlo simulation, and the critical nucleus size and its waiting time are measured with a high accuracy. In order to measure the critical nucleus with a high accuracy, we calculate the attachment and the detachment rate to the nucleus directly, and define the critical nucleus size when both rate are equal. Using the kinematical nucleation theory by Nishioka, it is found that, our obtained kinematical two dimensional criti...

  3. Controlled Interactions between Two Dimensional Layered Inorganic Nanosheets and Polymers

    Science.gov (United States)

    2016-06-15

    polymers . 2. Introduction . Research objectives: This research aims to study the physical (van der Waals forces: crystal epitaxy and π-π...AFRL-AFOSR-JP-TR-2016-0071 Controlled Interactions between Two Dimensional Layered Inorganic Nanosheets and Polymers Cheolmin Park YONSEI UNIVERSITY...Interactions between Two Dimensional Layered Inorganic Nanosheets and Polymers 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA2386-14-1-4054 5c.  PROGRAM ELEMENT

  4. Two-Dimensional Weak Pseudomanifolds on Eight Vertices

    Indian Academy of Sciences (India)

    Basudeb Datta; Nandini Nilakantan

    2002-05-01

    We explicitly determine all the two-dimensional weak pseudomanifolds on 8 vertices. We prove that there are (up to isomorphism) exactly 95 such weak pseudomanifolds, 44 of which are combinatorial 2-manifolds. These 95 weak pseudomanifolds triangulate 16 topological spaces. As a consequence, we prove that there are exactly three 8-vertex two-dimensional orientable pseudomanifolds which allow degree three maps to the 4-vertex 2-sphere.

  5. Modelling the biogeochemical cycle of silicon in soils using the reactive transport code MIN3P

    Science.gov (United States)

    Gerard, F.; Mayer, K. U.; Hodson, M. J.; Meunier, J.

    2006-12-01

    We investigated the biogeochemical cycling of Si in an acidic brown soil covered by a coniferous forest (Douglas fir) based on a comprehensive data set and reactive transport modelling. Both published and original data enable us to make up a conceptual model on which the development of a numerical model is based. We modified the reactive transport code MIN3P, which solves thermodynamic and kinetic reactions coupled with vadose zone flow and solute transport. Simulations were performed for a one-dimensional heterogeneous soil profile and were constrained by observed data including daily soil temperature, plant transpiration, throughfall, and dissolved Si in solutions collected beneath the organic layer. Reactive transport modelling was first used to test the validity of the hypothesis that a dynamic balance between Si uptake by plants and release by weathering controls aqueous Si-concentrations. We were able to calibrate the model quite accurately by stepwise adjustment of the relevant parameters. The capability of the model to predict Si-concentrations was good. Mass balance calculations indicate that only 40% of the biogeochemical cycle of Si is controlled by weathering and that about 60% of Si-cycling is related to biological processes (i.e. Si uptake by plants and dissolution of biogenic Si). Such a large contribution of biological processes was not anticipated considering the temperate climate regime, but may be explained by the high biomass productivity of the planted coniferous species. The large contribution of passive Si-uptake by vegetation permits the conservation of seasonal concentration variations caused by temperature-induced weathering, although the modelling suggests that the latter process was of lesser importance relative to biological Si-cycling.

  6. Two-Dimensional Materials for Sensing: Graphene and Beyond

    Directory of Open Access Journals (Sweden)

    Seba Sara Varghese

    2015-09-01

    Full Text Available Two-dimensional materials have attracted great scientific attention due to their unusual and fascinating properties for use in electronics, spintronics, photovoltaics, medicine, composites, etc. Graphene, transition metal dichalcogenides such as MoS2, phosphorene, etc., which belong to the family of two-dimensional materials, have shown great promise for gas sensing applications due to their high surface-to-volume ratio, low noise and sensitivity of electronic properties to the changes in the surroundings. Two-dimensional nanostructured semiconducting metal oxide based gas sensors have also been recognized as successful gas detection devices. This review aims to provide the latest advancements in the field of gas sensors based on various two-dimensional materials with the main focus on sensor performance metrics such as sensitivity, specificity, detection limit, response time, and reversibility. Both experimental and theoretical studies on the gas sensing properties of graphene and other two-dimensional materials beyond graphene are also discussed. The article concludes with the current challenges and future prospects for two-dimensional materials in gas sensor applications.

  7. A parametric transfer function methodology for analyzing reactive transport in nonuniform flow.

    Science.gov (United States)

    Luo, Jian; Cirpka, Olaf A; Fienen, Michael N; Wu, Wei-min; Mehlhorn, Tonia L; Carley, Jack; Jardine, Philip M; Criddle, Craig S; Kitanidis, Peter K

    2006-02-01

    We analyze reactive transport during in-situ bioremediation in a nonuniform flow field, involving multiple extraction and injection wells, by the method of transfer functions. Gamma distributions are used as parametric models of the transfer functions. Apparent parameters of classical transport models may be estimated from those of the gamma distributions by matching temporal moments. We demonstrate the method by application to measured data taken at a field experiment on bioremediation conducted in a multiple-well system in Oak Ridge, TN. Breakthrough curves (BTCs) of a conservative tracer (bromide) and a reactive compound (ethanol) are measured at multi-level sampling (MLS) wells and in extraction wells. The BTCs of both compounds are jointly analyzed to estimate the first-order degradation rate of ethanol. To quantify the tracer loss, we compare the approaches of using a scaling factor and a first-order decay term. Results show that by including a scaling factor both gamma distributions and inverse-Gaussian distributions (transfer functions according to the advection-dispersion equation) are suitable to approximate the transfer functions and estimate the reactive rate coefficients for both MLS and extraction wells. However, using a first-order decay term for tracer loss fails to describe the BTCs at the extraction well, which is affected by the nonuniform distribution of travel paths.

  8. Computational methods for multiphase equilibrium and kinetics calculations for geochemical and reactive transport applications

    Science.gov (United States)

    Leal, Allan; Saar, Martin

    2016-04-01

    Computational methods for geochemical and reactive transport modeling are essential for the understanding of many natural and industrial processes. Most of these processes involve several phases and components, and quite often requires chemical equilibrium and kinetics calculations. We present an overview of novel methods for multiphase equilibrium calculations, based on both the Gibbs energy minimization (GEM) approach and on the solution of the law of mass-action (LMA) equations. We also employ kinetics calculations, assuming partial equilibrium (e.g., fluid species in equilibrium while minerals are in disequilibrium) using automatic time stepping to improve simulation efficiency and robustness. These methods are developed specifically for applications that are computationally expensive, such as reactive transport simulations. We show how efficient the new methods are, compared to other algorithms, and how easy it is to use them for geochemical modeling via a simple script language. All methods are available in Reaktoro, a unified open-source framework for modeling chemically reactive systems, which we also briefly describe.

  9. In Situ Biostimulation at a Former Uranium Mill Tailings Site: Multicomponent Biogeochemical Reactive Transport Modeling

    Science.gov (United States)

    Yabusaki, S.; Fang, Y.; Long, P.

    2005-12-01

    In situ biostimulation at a Former Uranium Mill Tailings Site: Multicomponent Biogeochemical Reactive Transport Modeling Field experiments conducted at a former uranium mill tailings site in western Colorado are being used to investigate microbially mediated immobilization of uranium as a potential future remediation option for such sites. While the general principle of biostimulating microbial communities to reduce aqueous hexavalent uranium to immobile uraninite has been demonstrated in the laboratory and field, the ability to predictably engineer long lasting immobilization will require a more complete understanding of field-scale processes and properties. For this study, numerical simulation of the flow field, geochemical conditions, and micriobial communities is used to interpret field-scale biogeochemical reactive transport observed during experiments performed in 2002 to 2004. One key issue is identifying bioavailable Fe(III) oxide, which is the principal electron acceptor utilized by the acetate- oxidizing Geobacter sp. These organisms are responsible for uranium bioreduction that results in the removal of sufficient U(VI) to lower uranium groundwater concentrations to at or near applicable standards. The depletion of bioavailable Fe(III) leads to succession by sulfate reducers that are considerably less effective at uranium bioreduction. An important modeling consideration are the abiotic reactions (e.g., mineral precipitation and dissolution, aqueous and surface complexation) involving the Fe(II) and sulfide produced during biostimulation. These components, strongly associated with the solid phases, may play an important role in the evolving reactivity of the mineral surfaces that are likely to impact long-term uranium immobilization.

  10. Reactive transport simulations of the evolution of a cementitious repository in clay-rich host rocks

    Science.gov (United States)

    Kosakowski, Georg; Berner, Urs; Kulik, Dmitrii A.

    2010-05-01

    In Switzerland, the deep geological disposal in clay-rich rocks is foreseen not only for high-level radioactive waste, but also for intermediate-level (ILW) and low-level (LLW) radioactive waste. Typically, ILW and LLW repositories contain huge amounts of cementitious materials used for waste conditioning, confinement, and as backfill for the emplacement caverns. We are investigating the interactions of such a repository with the surrounding clay rocks and with other clay-rich materials such as sand/bentonite mixtures that are foreseen for backfilling the access tunnels. With the help of a numerical reactive transport model, we are comparing the evolution of cement/clay interfaces for different geochemical and transport conditions. In this work, the reactive transport of chemical components is simulated with the multi-component reactive transport code OpenGeoSys-GEM. It employs the sequential non-iterative approach to couple the mass transport code OpenGeoSys (http://www.ufz.de/index.php?en=18345) with the GEMIPM2K (http://gems.web.psi.ch/) code for thermodynamic modeling of aquatic geochemical systems which is using the Gibbs Energy Minimization (GEM) method. Details regarding code development and verification can be found in Shao et al. (2009). The mineral composition and the pore solution of a CEM I 52.5 N HTS hydrated cement as described by Lothenbach & Wieland (2006) are used as an initial state of the cement compartment. The setup is based on the most recent CEMDATA07 thermodynamic database which includes several ideal solid solutions for hydrated cement minerals and is consistent with the Nagra/PSI thermodynamic database 01/01. The smectite/montmorillonite model includes cation exchange processes and amphotheric≡SOH sites and was calibrated on the basis of data by Bradbury & Baeyens (2002). In other reactive transport codes based on the Law of Mass Action (LMA) for solving geochemical equilibria, cation exchange processes are usually calculated assuming

  11. Modelling of the reactive transport of organic pollutants in ground water; Modellierung des reaktiven Transports organischer Schadstoffe im Grundwasser

    Energy Technology Data Exchange (ETDEWEB)

    Schaefer, W. [Heidelberg Univ. (Germany). Inst. fuer Umweltphysik

    1999-07-01

    The book describes reactive transport of organic pollutants in ground water and its quantitative monitoring by means of numerical reaction transport models. A brief introduction dealing with the importance of and hazards to ground water and opportunities for making use of ground water models is followed by a more detailed chapter on organic pollutants in ground water. Here the focus is on organochlorine compounds and mineral oil products. Described are propagation mechanisms for these substances in the ground and, especially, their degradability in ground water. A separate chapter is dedicated to possibilities for cleaning up polluted ground water aquifers. The most important decontamination techniques are presented, with special emphasis on in-situ processes with hydraulic components. Moreover, this chapter discusses the self-cleaning capability of aquifers and the benefits of the application of models to ground water cleanup. In the fourth chapter the individual components of reaction transport models are indicated. Here it is, inter alia, differences in the formulation of reaction models as to their complexity, and coupling between suspended matter transport and reaction processes that are dealt with. This chapter ends with a comprehensive survey of literature regarding the application of suspended matter transport models to real ground water accidents. Chapter 5 consists of a description of the capability and principle of function of the reaction transport model TBC (transport biochemism/chemism). This model is used in the two described applications to the reactive transport of organic pollutants in ground water. (orig.) [German] Inhalt des vorliegenden Buches ist die Darstellung des reaktiven Transports organischer Schadstoffe im Grundwasser und dessen quantitative Erfassung mithilfe numerischer Reaktions-Transportmodelle. Auf eine kurze Einleitung zur Bedeutung und Gefaehrdung von Grundwasser und zu den Einsatzmoeglichkeiten von Grundwassermodellen folgt ein

  12. Two-dimensional materials based transparent flexible electronics

    Science.gov (United States)

    Yu, Lili; Ha, Sungjae; El-Damak, Dina; McVay, Elaine; Ling, Xi; Chandrakasan, Anantha; Kong, Jing; Palacios, Tomas

    2015-03-01

    Two-dimensional (2D) materials have generated great interest recently as a set of tools for electronics, as these materials can push electronics beyond traditional boundaries. These materials and their heterostructures offer excellent mechanical flexibility, optical transparency, and favorable transport properties for realizing electronic, sensing, and optical systems on arbitrary surfaces. These thin, lightweight, bendable, highly rugged and low-power devices may bring dramatic changes in information processing, communications and human-electronic interaction. In this report, for the first time, we demonstrate two complex transparent flexible systems based on molybdenum disulfide (MoS2) grown by chemical vapor method: a transparent active-matrix organic light-emitting diode (AMOLED) display and a MoS2 wireless link for sensor nodes. The 1/2 x 1/2 square inch, 4 x 5 pixels AMOLED structures are built on transparent substrates, containing MoS2 back plane circuit and OLEDs integrated on top of it. The back plane circuit turns on and off the individual pixel with two MoS2 transistors and a capacitor. The device is designed and fabricated based on SPICE simulation to achieve desired DC and transient performance. We have also demonstrated a MoS2 wireless self-powered sensor node. The system consists of as energy harvester, rectifier, sensor node and logic units. AC signals from the environment, such as near-field wireless power transfer, piezoelectric film and RF signal, are harvested, then rectified into DC signal by a MoS2 diode. CIQM, CICS, SRC.

  13. Two-dimensional protonic percolation on lightly hydrated purple membrane.

    Science.gov (United States)

    Rupley, J A; Siemankowski, L; Careri, G; Bruni, F

    1988-12-01

    The capacitance and dielectric loss factor were measured for a sample of purple membrane of Halobacterium halobium as a function of hydration level (0.017 to >0.2 g of water/g of membrane) and frequency (10 kHz to 10 MHz). The capacitance and the derived conductivity show explosive growth above a threshold hydration level, h(c) approximately 0.0456. The conductivity shows a deuterium isotope effect, H/(2)H = 1.38, in close agreement with expectation for a protonic process. The level h(c) is frequency independent and shows no deuterium isotope effect. These properties are analogous to those found for lysozyme in a related study. Protonic conduction for the purple membrane can be considered, as for lysozyme, within the framework of a percolation model. The critical exponent, t, which describes the conductivity of a percolative system near the threshold, has the value 1.23. This number is in close agreement with expectation from theory for a two-dimensional percolative process. The dielectric properties of the purple membrane are more complex than those of lysozyme, seen in the value of h(c) and in the frequency and hydration dependence of the loss factor. There appear to be preferred regions of proton conduction. The percolation model is based upon stochastic behavior of a system partially populated with conducting elements. This model suggests that ion transport in membranes and its control can be based on pathways formed of randomly connected conducting elements and that a fixed geometry (a proton wire) is not the only possible basis for a mechanism of conduction.

  14. Modelling of reactive transport in a sedimentary basin affected by a glaciation/deglaciation event

    Energy Technology Data Exchange (ETDEWEB)

    Bea, S.A.; Mayer, U. [Univ. of British Columbia, Dept. of Earth and Ocean Sciences, Vancouver, BC (Canada); MacQuarrie, K.T.B. [Univ. of New Brunswick, Dept. of Civil Engineering, Fredericton, NB (Canada)

    2011-07-01

    Canada's plan for the long-term care of used nuclear fuel is containment and isolation in a Deep Geologic Repository (DGR) constructed in a suitable sedimentary or crystalline rock formation. In sedimentary basins fluid migration and geochemical conditions may be impacted by multiple interacting processes including density-dependent groundwater flow, solute transport, heat transfer, mechanical loading, and rock-water interactions. Understanding the interactions among these processes is important when assessing the long-term hydrodynamic and geochemical stability of sedimentary basins during glaciation/deglaciation events. To improve the capability to investigate these processes, an enhanced version of the reactive transport code MIN3P (i.e. MIN3P-NWMO) was developed and tested. The processes incorporated in the new model were evaluated by simulating reactive transport in a hypothetical sedimentary basin affected by a simplified glaciation scenario consisting of a single cycle of ice sheet advance and retreat. The simulations are used to provide an illustrative assessment of the hydrogeological and geochemical stability of this sedimentary basin over a time period of 32,500 years. The results suggest a high degree of geochemical stability. (author)

  15. Comparison of numerical simulations of reactive transport and chemostat-like models

    Directory of Open Access Journals (Sweden)

    I. Haidar

    2011-12-01

    Full Text Available The objective of the paper is to evaluate the ability of reactive transport models and their numerical implementations (such as MIN3P to simulate simple microbial transformations in conditions of chemostat or gradostat models, that are popular in microbial ecology and waste treatment ecosystems. To make this comparison, we first consider an abstract ecosystem composed of a single limiting resource and a single microbial species that are carried by advection. In a second stage, we consider another microbial species in competition for the same limiting resource. Comparing the numerical solutions of the two models, we found that the numerical accuracy of simulations of advective transport models performed with MIN3P depends on the evolution of the concentrations of the microbial species: when the state of the system is close to a non-hyperbolic equilibrium, we observe a numerical inaccuracy that may be due to the discretization method used in numerical approximations of reactive transport equations. Therefore, one has to be cautious about the predictions given by the models.

  16. Geometry-coupled reactive fluid transport at the fracture scale -Application to CO 2 geologic storage

    KAUST Repository

    Kim, Seunghee

    2015-08-19

    Water acidification follows CO2 injection and leads to reactive fluid transport through pores and rock fractures, with potential implications to reservoirs and wells in CO2 geologic storage and enhanced oil recovery. Kinetic rate laws for dissolution reactions in calcite and anorthite are combined with Navier-Stokes law and advection-diffusion transport to perform geometry-coupled numerical simulations in order to study the evolution of chemical reactions, species concentration and fracture morphology. Results are summarized as a function of two dimensionless parameters: the Damköhler number Da which is the ratio between advection and reaction times, and the transverse Peclet number Pe defined as the ratio between the time for diffusion across the fracture and the time for advection along the fracture. Reactant species are readily consumed near the inlet in a carbonate reservoir when the flow velocity is low (low transverse Peclet number and Da>10-1). At high flow velocities, diffusion fails to homogenize the concentration field across the fracture (high transverse Peclet number Pe>10-1). When the reaction rate is low as in anorthite reservoirs (Da<10-1) reactant species are more readily transported towards the outlet. At a given Peclet number, a lower Damköhler number causes the flow channel to experience a more uniform aperture enlargement along the length of the fracture. When the length-to-aperture ratio is sufficiently large, say l/d>30, the system response resembles the solution for 1-D reactive fluid transport. A decreased length-to-aperture ratio slows the diffusive transport of reactant species to the mineral fracture surface, and analyses of fracture networks must take into consideration both the length and slenderness of individual fractures in addition to Pe and Da numbers.

  17. A sequential partly iterative approach for multicomponent reactive transport with CORE2D

    Energy Technology Data Exchange (ETDEWEB)

    Samper, J.; Xu, T.; Yang, C.

    2008-11-01

    CORE{sup 2D} V4 is a finite element code for modeling partly or fully saturated water flow, heat transport and multicomponent reactive solute transport under both local chemical equilibrium and kinetic conditions. It can handle coupled microbial processes and geochemical reactions such as acid-base, aqueous complexation, redox, mineral dissolution/precipitation, gas dissolution/exsolution, ion exchange, sorption via linear and nonlinear isotherms, sorption via surface complexation. Hydraulic parameters may change due to mineral precipitation/dissolution reactions. Coupled transport and chemical equations are solved by using sequential iterative approaches. A sequential partly-iterative approach (SPIA) is presented which improves the accuracy of the traditional sequential noniterative approach (SNIA) and is more efficient than the general sequential iterative approach (SIA). While SNIA leads to a substantial saving of computing time, it introduces numerical errors which are especially large for cation exchange reactions. SPIA improves the efficiency of SIA because the iteration between transport and chemical equations is only performed in nodes with a large mass transfer between solid and liquid phases. The efficiency and accuracy of SPIA are compared to those of SIA and SNIA using synthetic examples and a case study of reactive transport through the Llobregat Delta aquitard in Spain. SPIA is found to be as accurate as SIA while requiring significantly less CPU time. In addition, SPIA is much more accurate than SNIA with only a minor increase in computing time. A further enhancement of the efficiency of SPIA is achieved by improving the efficiency of the Newton-Raphson method used for solving chemical equations. Such an improvement is obtained by working with increments of log-concentrations and ignoring the terms of the Jacobian matrix containing derivatives of activity coefficients. A proof is given for the symmetry and non-singularity of the Jacobian matrix

  18. Growth and electronic properties of two-dimensional systems on (110) oriented GaAs

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, F.

    2005-07-01

    As the only non-polar plane the (110) surface has a unique role in GaAs. Together with Silicon as a dopant it is an important substrate orientation for the growth of n-type or p-type heterostructures. As a consequence, this thesis will concentrate on growth and research on that surface. In the course of this work we were able to realize two-dimensional electron systems with the highest mobilities reported so far on this orientation. Therefore, we review the necessary growth conditions and the accompanying molecular process. The two-dimensional electron systems allowed the study of a new, intriguing transport anisotropy not explained by current theory. Moreover, we were the first growing a two-dimensional hole gas on (110) GaAs with Si as dopant. For this purpose we invented a new growth modulation technique necessary to retrieve high mobility systems. In addition, we discovered and studied the metal-insulator transition in thin bulk p-type layers on (110) GaAs. Besides we investigated the activation process related to the conduction in the valence band and a parallelly conducting hopping band. The new two-dimensional hole gases revealed interesting physics. We studied the zero B-field spin splitting in these systems and compared it with the known theory. Furthermore, we investigated the anisotropy of the mobility. As opposed to the expectations we observed a strong persistent photoconductivity in our samples. Landau levels for two dimensional hole systems are non-linear and can show anticrossings. For the first time we were able to resolve anticrossings in a transport experiment and study the corresponding activation process. Finally, we compared these striking results with theoretical calculations. (orig.)

  19. Interaction of two-dimensional turbulence with a sheared channel flow: a numerical study

    Science.gov (United States)

    Kamp, Leon; Marques Rosas Fernandes, Vitor; van Heijst, Gertjan; Clercx, Herman

    2015-11-01

    Interaction of large-scale flows with turbulence is of fundamental and widespread importance in geophysical fluid dynamics and also, more recently for the dynamics of fusion plasma. More specifically the interplay between two-dimensional turbulence and so-called zonal flows has gained considerable interest because of its relevance for transport and associated barriers. We present numerical results on the interaction of driven two-dimensional turbulence with typical sheared channel flows (Couette and Poiseuille). It turns out that a linear shear rate that is being sustained by moving channel walls (Couette flow) is far more effective in suppressing turbulence and associated transport than a Poiseuille flow. We explore the mechanisms behind this in relation to the width of the channel and the strength of the shear of the background flow. Also the prominent role played by the no-slip boundaries and the Reynolds stress is discussed.

  20. The reactive transport of trichloroethene is influenced by residence time and microbial numbers

    Science.gov (United States)

    Haest, P. J.; Philips, J.; Springael, D.; Smolders, E.

    2011-01-01

    The dechlorination rate in a flow-through porous matrix can be described by the species specific dechlorination rate observed in a liquid batch unless mass transport limitations prevail. This hypothesis was examined by comparing dechlorination rates in liquid batch with that in column experiments at various flow rates (3-9-12 cm day - 1 ). Columns were loaded with an inoculated sand and eluted with a medium containing 1 mM trichloroethene (TCE) for 247 days. Dechlorination in the column treatments increased with decreasing flow rate, illustrating the effect of the longer residence time. Zeroth order TCE or cis-DCE degradation rates were 4-7 folds larger in columns than in corresponding batch systems which could be explained by the higher measured Geobacter and Dehalococcoides numbers per unit pore volume in the columns. The microbial numbers also explained the variability in dechlorination rate among flow rate treatments marked by a large elution of the dechlorinating species' yield as flow increased. Stop flow events did not reveal mass transport limitations for dechlorination. We conclude that flow rate effects on reactive transport of TCE in this coarse sand are explained by residence time and by microbial transport and that mass transport limitations in this porous matrix are limited.

  1. Semianalytical Solutions of Radioactive or Reactive Transport in Variably-Fractured Layered Media: 1. Solutes

    Energy Technology Data Exchange (ETDEWEB)

    George J. Moridis

    2001-10-01

    In this paper, semianalytical solutions are developed for the problem of transport of radioactive or reactive solute tracers through a layered system of heterogeneous fractured media with misaligned fractures. The tracer transport equations in the non-flowing matrix account for (a) diffusion, (b) surface diffusion, (c) mass transfer between the mobile and immobile water fractions, (d) linear kinetic or equilibrium physical, chemical, or combined solute sorption or colloid filtration, and (e) radioactive decay or first-order chemical reactions. The tracer-transport equations in the fractures account for the same processes, in addition to advection and hydrodynamic dispersion. Any number of radioactive decay daughter products (or products of a linear, first-order reaction chain) can be tracked. The solutions, which are analytical in the Laplace space, are numerically inverted to provide the solution in time and can accommodate any number of fractured and/or porous layers. The solutions are verified using analytical solutions for limiting cases of solute and colloid transport through fractured and porous media. The effect of important parameters on the transport of {sup 3}H, {sup 237}Np and {sup 239}Pu (and its daughters) is investigated in several test problems involving layered geological systems of varying complexity.

  2. Semianalytical solutions of radioactive or reactive transport invariably-fractured layered media: 1. Solutes

    Energy Technology Data Exchange (ETDEWEB)

    Moridis, George J.

    2001-10-10

    In this paper, semianalytical solutions are developed for the problem of transport of radioactive or reactive solute tracers through a layered system of heterogeneous fractured media with misaligned fractures. The tracer transport equations in the non-flowing matrix account for (a) diffusion, (b) surface diffusion, (c) mass transfer between the mobile and immobile water fractions, (d) linear kinetic or equilibrium physical, chemical, or combined solute sorption or colloid filtration, and (e) radioactive decay or first-order chemical reactions. The tracer-transport equations in the fractures account for the same processes, in addition to advection and hydrodynamic dispersion. Any number of radioactive decay daughter products (or products of a linear, first-order reaction chain) can be tracked. The solutions, which are analytical in the Laplace space, are numerically inverted to provide the solution in time and can accommodate any number of fractured and/or porous layers. The solutions are verified using analytical solutions for limiting cases of solute and colloid transport through fractured and porous media. The effect of important parameters on the transport of {sup 3}H, {sup 237}Np and {sup 239}Pu (and its daughters) is investigated in several test problems involving layered geological systems of varying complexity.

  3. Advective and diffusive contributions to reactive gas transport during pyrite oxidation in the unsaturated zone

    DEFF Research Database (Denmark)

    Binning, Philip John; Postma, Diederik Jan; Russel, T.F.;

    2007-01-01

    at depth in the unsaturated zone, a pressure gradient is created between the reactive zone and the ground surface, causing a substantial advective air flow into the subsurface. To determine the balance between advective and diffusive transport, a one-dimensional multicomponent unsaturated zone gas...... flows at steady state. However, greater pressure gradients are found in low-permeability soils. In transient cases, advective fluxes depend on the initial conditions and can be far greater than diffusive fluxes. In contrast to steady state conditions the transient case is sensitive to other model...

  4. A UNIFIED A POSTERIORI ERROR ANALYSIS FOR DISCONTINUOUS GALERKIN APPROXIMATIONS OF REACTIVE TRANSPORT EQUATIONS

    Institute of Scientific and Technical Information of China (English)

    Ji-ming Yang; Yan-ping Chen

    2006-01-01

    Four primal discontinuous Galerkin methods are applied to solve reactive transport problems, namely, Oden-Babu(s)ka-Baumann DG (OBB-DG), non-symmetric interior penalty Galerkin (NIPG), symmetric interior penalty Galerkin (SIPG), and incomplete interior penalty Galerkin (ⅡPG). A unified a posteriori residual-type error estimation is derived explicitly for these methods. From the computed solution and given data, explicit est-mators can be computed efficiently and directly, which can be used as error indicators foradaptation. Unlike in the reference [10], we obtain the error estimators in L2(L2) norm by using duality techniques instead of in L2(H1) norm.

  5. Constitutive Relations for Reactive Transport Modeling: Effects of Chemical Reactions on Multi-Phase Flow Properties

    Science.gov (United States)

    Zhang, S.; Liu, H. H.; van Dijke, M. I.; Geiger, S.; Agar, S. M.

    2016-12-01

    The relationship between flow properties and chemical reactions is key to modeling subsurface reactive transport. This study develops closed-form equations to describe the effects of mineral precipitation and dissolution on multiphase flow properties (capillary pressure and relative permeabilities) of porous media. The model accounts for the fact that precipitation/dissolution only takes place in the water-filled part of pore space. The capillary tube concept was used to connect pore-scale changes to macroscopic hydraulic properties. Precipitation/dissolution induces changes in the pore radii of water-filled pores and consequently in the pore-size distribution. The updated pore-size distribution is converted back to a new capillary pressure-water saturation relation from which the new relative permeabilities are calculated. Pore network modeling is conducted on a Berea sandstone to validate the new continuum-scale relations. The pore network modeling results are satisfactorily predicted by the new closed-form equations. Currently the effects of chemical reactions on flow properties are represented as a relation between permeability and porosity in reactive transport modeling. Porosity is updated after chemical calculations from the change of mineral volumes, then permeability change is calculated from the porosity change using an empirical permeability-porosity relation, most commonly the Carman-Kozeny relation, or the Verma-Pruess relation. To the best of our knowledge, there are no closed-form relations available yet for the effects of chemical reactions on multi-phase flow properties, and thus currently these effects cannot be accounted for in reactive transport modeling. This work presents new constitutive relations to represent how chemical reactions affect multi-phase flow properties on the continuum scale based on the conceptual model of parallel capillary tubes. The parameters in our new relations are either pre-existing input in a multi-phase flow

  6. Point Defects in Two-Dimensional Layered Semiconductors: Physics and Its Applications

    Science.gov (United States)

    Suh, Joonki

    Recent advances in material science and semiconductor processing have been achieved largely based on in-depth understanding, efficient management and advanced application of point defects in host semiconductors, thus finding the relevant techniques such as doping and defect engineering as a traditional scientific and technological solution. Meanwhile, two- dimensional (2D) layered semiconductors currently draw tremendous attentions due to industrial needs and their rich physics at the nanoscale; as we approach the end of critical device dimensions in silicon-based technology, ultra-thin semiconductors have the potential as next- generation channel materials, and new physics also emerges at such reduced dimensions where confinement of electrons, phonons, and other quasi-particles is significant. It is therefore rewarding and interesting to understand and redefine the impact of lattice defects by investigating their interactions with energy/charge carriers of the host matter. Potentially, the established understanding will provide unprecedented opportunities for realizing new functionalities and enhancing the performance of energy harvesting and optoelectronic devices. In this thesis, multiple novel 2D layered semiconductors, such as bismuth and transition- metal chalcogenides, are explored. Following an introduction of conventional effects induced by point defects in semiconductors, the related physics of electronically active amphoteric defects is revisited in greater details. This can elucidate the complication of a two-dimensional electron gas coexisting with the topological states on the surface of bismuth chalcogenides, recently suggested as topological insulators. Therefore, native point defects are still one of the keys to understand and exploit topological insulators. In addition to from a fundamental science point of view, the effects of point defects on the integrated thermal-electrical transport, as well as the entropy-transporting process in

  7. Model of two-dimensional electron gas formation at ferroelectric interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Aguado-Puente, P.; Bristowe, N. C.; Yin, B.; Shirasawa, R.; Ghosez, Philippe; Littlewood, P. B.; Artacho, Emilio

    2015-07-01

    The formation of a two-dimensional electron gas at oxide interfaces as a consequence of polar discontinuities has generated an enormous amount of activity due to the variety of interesting effects it gives rise to. Here, we study under what circumstances similar processes can also take place underneath ferroelectric thin films. We use a simple Landau model to demonstrate that in the absence of extrinsic screening mechanisms, a monodomain phase can be stabilized in ferroelectric films by means of an electronic reconstruction. Unlike in the LaAlO3/SrTiO3 heterostructure, the emergence with thickness of the free charge at the interface is discontinuous. This prediction is confirmed by performing first-principles simulations of free-standing slabs of PbTiO3. The model is also used to predict the response of the system to an applied electric field, demonstrating that the two-dimensional electron gas can be switched on and off discontinuously and in a nonvolatile fashion. Furthermore, the reversal of the polarization can be used to switch between a two-dimensional electron gas and a two-dimensional hole gas, which should, in principle, have very different transport properties. We discuss the possible formation of polarization domains and how such configuration competes with the spontaneous accumulation of free charge at the interfaces.

  8. Two Dimensional Near-field Calculations of Radionuclide Releases from the Vaults of the SFR 1 Repository

    Energy Technology Data Exchange (ETDEWEB)

    Pereira, Antonio [AlbaNova University Center, Stockholm Center of Physics, Astronomy and Biotechnology (Sweden). Dept. of Physics; Sundstroem, Benny [Swedish Nuclear Power Inspectorate, Stockholm (Sweden)

    2003-12-01

    Radionuclide releases from the near-field for the vaults of the SFR 1 repository are examined in this report. To model those releases we have developed four models, one for each of the vaults; 2BTF, 1BTF, BMA and BLA. The respective codes are based on the finite element method and are called FEMBTF2, FEMBTF1, FEMBMA and FEMBLA, respectively. These codes are two-dimensional representations of the cross sections of the vaults. The different barriers of the vaults have been modelled individually using the physical dimensions of the cross sections. The same conceptual model has been used to estimate the releases from the near-field. This conceptual model is implemented by four different FEM codes that solve the two-dimensional transport equation, e.g. the advective-diffusive-reactive equation that also includes radioactive decay. An interesting property of the codes is that they allow the use of time-dependent properties to represent for instance the evolution of water flow, porosities, distribution coefficients etc. This capability of the code has been used only in some cases because the FEM codes put heavy requirements on the computer's CPU. The nuclides studied here were chosen from a set representing the highest release rates from the near-field obtained by SKB during their project SAFE. Some of the results reported here are somewhat lower than SKBs, other higher. Uncertainties in the conceptual models and differences in the input data are the reasons for the numerical differences. For most cases, the differences between our results and those of SKB should be considered relatively small within present context of near-field calculations.

  9. Synthesis of two-dimensional materials by selective extraction.

    Science.gov (United States)

    Naguib, Michael; Gogotsi, Yury

    2015-01-20

    CONSPECTUS: Two-dimensional (2D) materials have attracted much attention in the past decade. They offer high specific surface area, as well as electronic structure and properties that differ from their bulk counterparts due to the low dimensionality. Graphene is the best known and the most studied 2D material, but metal oxides and hydroxides (including clays), dichalcogenides, boron nitride (BN), and other materials that are one or several atoms thick are receiving increasing attention. They may deliver a combination of properties that cannot be provided by other materials. The most common synthesis approach in general is by reacting different elements or compounds to form a new compound. However, this approach does not necessarily work well for low-dimensional structures, since it favors formation of energetically preferred 3D (bulk) solids. Many 2D materials are produced by exfoliation of van der Waals solids, such as graphite or MoS2, breaking large particles into 2D layers. However, these approaches are not universal; for example, 2D transition metal carbides cannot be produced by any of them. An alternative but less studied way of material synthesis is the selective extraction process, which is based on the difference in reactivity and stability between the different components (elements or structural units) of the original material. It can be achieved using thermal, chemical, or electrochemical processes. Many 2D materials have been synthesized using selective extraction, such as graphene from SiC, transition metal oxides (TMO) from layered 3D salts, and transition metal carbides or carbonitrides (MXenes) from MAX phases. Selective extraction synthesis is critically important when the bonds between the building blocks of the material are too strong (e.g., in carbides) to be broken mechanically in order to form nanostructures. Unlike extractive metallurgy, where the extracted metal is the goal of the process, selective extraction of one or more elements from

  10. Two dimensional soft material: new faces of graphene oxide.

    Science.gov (United States)

    Kim, Jaemyung; Cote, Laura J; Huang, Jiaxing

    2012-08-21

    Graphite oxide sheets, now called graphene oxide (GO), can be made from chemical exfoliation of graphite by reactions that have been known for 150 years. Because GO is a promising solution-processable precursor for the bulk production of graphene, interest in this old material has resurged. The reactions to produce GO add oxygenated functional groups to the graphene sheets on their basal plane and edges, and this derivatization breaks the π-conjugated network, resulting in electrically insulating but highly water-dispersible sheets. Apart from making graphene, GO itself has many intriguing properties. Like graphene, GO is a two-dimensional (2D) sheet with feature sizes at two abruptly different length scales. The apparent thickness of the functionalized carbon sheet is approximately 1 nm, but the lateral dimensions can range from a few nanometers to hundreds of micrometers. Therefore, researchers can think of GO as either a single molecule or a particle, depending on which length scale is of greater interest. At the same time, GO can be viewed as an unconventional soft material, such as a 2D polymer, highly anisotropic colloid, membrane, liquid crystal, or amphiphile. In this Account, we highlight the soft material characteristics of GO. GO consists of nanographitic patches surrounded by largely disordered, oxygenated domains. Such structural characteristics effectively make GO a 2D amphiphile with a hydrophilic periphery and largely hydrophobic center. This insight has led to better understanding of the solution properties of GO for making thin films and new applications of GO as a surfactant. Changes in pH and sheet size can tune the amphiphilicity of GO, leading to intriguing interfacial activities. In addition, new all-carbon composites made of only graphitic nanostructures using GO as a dispersing agent have potential applications in photovoltaics and energy storage. On the other hand, GO can function as a 2D random diblock copolymer, one block graphitic and

  11. A parallelization scheme to simulate reactive transport in the subsurface environment with OGS#IPhreeqc

    Science.gov (United States)

    He, W.; Beyer, C.; Fleckenstein, J. H.; Jang, E.; Kolditz, O.; Naumov, D.; Kalbacher, T.

    2015-03-01

    This technical paper presents an efficient and performance-oriented method to model reactive mass transport processes in environmental and geotechnical subsurface systems. The open source scientific software packages OpenGeoSys and IPhreeqc have been coupled, to combine their individual strengths and features to simulate thermo-hydro-mechanical-chemical coupled processes in porous and fractured media with simultaneous consideration of aqueous geochemical reactions. Furthermore, a flexible parallelization scheme using MPI (Message Passing Interface) grouping techniques has been implemented, which allows an optimized allocation of computer resources for the node-wise calculation of chemical reactions on the one hand, and the underlying processes such as for groundwater flow or solute transport on the other hand. The coupling interface and parallelization scheme have been tested and verified in terms of precision and performance.

  12. A parallelization scheme to simulate reactive transport in the subsurface environment with OGS#IPhreeqc

    Directory of Open Access Journals (Sweden)

    W. He

    2015-03-01

    Full Text Available This technical paper presents an efficient and performance-oriented method to model reactive mass transport processes in environmental and geotechnical subsurface systems. The open source scientific software packages OpenGeoSys and IPhreeqc have been coupled, to combine their individual strengths and features to simulate thermo-hydro-mechanical-chemical coupled processes in porous and fractured media with simultaneous consideration of aqueous geochemical reactions. Furthermore, a flexible parallelization scheme using MPI (Message Passing Interface grouping techniques has been implemented, which allows an optimized allocation of computer resources for the node-wise calculation of chemical reactions on the one hand, and the underlying processes such as for groundwater flow or solute transport on the other hand. The coupling interface and parallelization scheme have been tested and verified in terms of precision and performance.

  13. Large scale reactive transport of nitrate across the surface water divide

    Science.gov (United States)

    Kortunov, E.; Lu, C.; Amos, R.; Grathwohl, P.

    2016-12-01

    Groundwater pollution caused by agricultural and atmospheric inputs is a pressing issue in environmental management worldwide. Various researchers have studied different aspects of nitrate contamination since the substantial increase of the agriculture pollution in the second half of the 20th century. This study addresses large scale reactive solute transport in a typical Germany hilly landscapes in a transect crossing 2 valleys: River Neckar and Ammer. The numerical model was constructed compromising a 2-D cross-section accounting for typical fractured mudstones and unconsolidated sediments. Flow modelling showed that the groundwater divide significantly deviates from the surface water divide providing conditions for inter-valley flow and transport. Reactive transport modelling of redox-sensitive solutes (e.g. agriculture nitrate and natural sulfate, DOC, ammonium) with MIN3P was used to elucidate source of nitrate in aquifers and rivers. Since both floodplains, in the Ammer and Neckar valley contain Holocene sediments relatively high in organic carbon, agricultural nitrate is reduced therein and does not reach the groundwater. However, nitrate applied in the hillslopes underlain by fractured oxidized mudrock is transported to the high yield sand and gravel aquifer in the Neckar valley. Therefore, the model predicts that nitrate in the Neckar valley comes, to a large extent, from the neighboring Ammer valley. Moreover, nitrate observed in the rivers and drains in the Ammer valley is very likely geogenic since frequent peat layers there release ammonium which is oxidized as it enters the surface water. Such findings are relevant for land and water quality management.

  14. Tracking dynamics of two-dimensional continuous attractor neural networks

    Science.gov (United States)

    Fung, C. C. Alan; Wong, K. Y. Michael; Wu, Si

    2009-12-01

    We introduce an analytically solvable model of two-dimensional continuous attractor neural networks (CANNs). The synaptic input and the neuronal response form Gaussian bumps in the absence of external stimuli, and enable the network to track external stimuli by its translational displacement in the two-dimensional space. Basis functions of the two-dimensional quantum harmonic oscillator in polar coordinates are introduced to describe the distortion modes of the Gaussian bump. The perturbative method is applied to analyze its dynamics. Testing the method by considering the network behavior when the external stimulus abruptly changes its position, we obtain results of the reaction time and the amplitudes of various distortion modes, with excellent agreement with simulation results.

  15. Electronics and optoelectronics of two-dimensional transition metal dichalcogenides.

    Science.gov (United States)

    Wang, Qing Hua; Kalantar-Zadeh, Kourosh; Kis, Andras; Coleman, Jonathan N; Strano, Michael S

    2012-11-01

    The remarkable properties of graphene have renewed interest in inorganic, two-dimensional materials with unique electronic and optical attributes. Transition metal dichalcogenides (TMDCs) are layered materials with strong in-plane bonding and weak out-of-plane interactions enabling exfoliation into two-dimensional layers of single unit cell thickness. Although TMDCs have been studied for decades, recent advances in nanoscale materials characterization and device fabrication have opened up new opportunities for two-dimensional layers of thin TMDCs in nanoelectronics and optoelectronics. TMDCs such as MoS(2), MoSe(2), WS(2) and WSe(2) have sizable bandgaps that change from indirect to direct in single layers, allowing applications such as transistors, photodetectors and electroluminescent devices. We review the historical development of TMDCs, methods for preparing atomically thin layers, their electronic and optical properties, and prospects for future advances in electronics and optoelectronics.

  16. Hamiltonian formalism of two-dimensional Vlasov kinetic equation.

    Science.gov (United States)

    Pavlov, Maxim V

    2014-12-08

    In this paper, the two-dimensional Benney system describing long wave propagation of a finite depth fluid motion and the multi-dimensional Russo-Smereka kinetic equation describing a bubbly flow are considered. The Hamiltonian approach established by J. Gibbons for the one-dimensional Vlasov kinetic equation is extended to a multi-dimensional case. A local Hamiltonian structure associated with the hydrodynamic lattice of moments derived by D. J. Benney is constructed. A relationship between this hydrodynamic lattice of moments and the two-dimensional Vlasov kinetic equation is found. In the two-dimensional case, a Hamiltonian hydrodynamic lattice for the Russo-Smereka kinetic model is constructed. Simple hydrodynamic reductions are presented.

  17. Control Operator for the Two-Dimensional Energized Wave Equation

    Directory of Open Access Journals (Sweden)

    Sunday Augustus REJU

    2006-07-01

    Full Text Available This paper studies the analytical model for the construction of the two-dimensional Energized wave equation. The control operator is given in term of space and time t independent variables. The integral quadratic objective cost functional is subject to the constraint of two-dimensional Energized diffusion, Heat and a source. The operator that shall be obtained extends the Conjugate Gradient method (ECGM as developed by Hestenes et al (1952, [1]. The new operator enables the computation of the penalty cost, optimal controls and state trajectories of the two-dimensional energized wave equation when apply to the Conjugate Gradient methods in (Waziri & Reju, LEJPT & LJS, Issues 9, 2006, [2-4] to appear in this series.

  18. Two-Dimensional Electronic Spectroscopy Using Incoherent Light: Theoretical Analysis

    CERN Document Server

    Turner, Daniel B; Sutor, Erika J; Hendrickson, Rebecca A; Gealy, M W; Ulness, Darin J

    2012-01-01

    Electronic energy transfer in photosynthesis occurs over a range of time scales and under a variety of intermolecular coupling conditions. Recent work has shown that electronic coupling between chromophores can lead to coherent oscillations in two-dimensional electronic spectroscopy measurements of pigment-protein complexes measured with femtosecond laser pulses. A persistent issue in the field is to reconcile the results of measurements performed using femtosecond laser pulses with physiological illumination conditions. Noisy-light spectroscopy can begin to address this question. In this work we present the theoretical analysis of incoherent two-dimensional electronic spectroscopy, I(4) 2D ES. Simulations reveal diagonal peaks, cross peaks, and coherent oscillations similar to those observed in femtosecond two-dimensional electronic spectroscopy experiments. The results also expose fundamental differences between the femtosecond-pulse and noisy-light techniques; the differences lead to new challenges and opp...

  19. A two-dimensional spin liquid in quantum kagome ice.

    Science.gov (United States)

    Carrasquilla, Juan; Hao, Zhihao; Melko, Roger G

    2015-06-22

    Actively sought since the turn of the century, two-dimensional quantum spin liquids (QSLs) are exotic phases of matter where magnetic moments remain disordered even at zero temperature. Despite ongoing searches, QSLs remain elusive, due to a lack of concrete knowledge of the microscopic mechanisms that inhibit magnetic order in materials. Here we study a model for a broad class of frustrated magnetic rare-earth pyrochlore materials called quantum spin ices. When subject to an external magnetic field along the [111] crystallographic direction, the resulting interactions contain a mix of geometric frustration and quantum fluctuations in decoupled two-dimensional kagome planes. Using quantum Monte Carlo simulations, we identify a set of interactions sufficient to promote a groundstate with no magnetic long-range order, and a gap to excitations, consistent with a Z2 spin liquid phase. This suggests an experimental procedure to search for two-dimensional QSLs within a class of pyrochlore quantum spin ice materials.

  20. Spectral Radiative Properties of Two-Dimensional Rough Surfaces

    Science.gov (United States)

    Xuan, Yimin; Han, Yuge; Zhou, Yue

    2012-12-01

    Spectral radiative properties of two-dimensional rough surfaces are important for both academic research and practical applications. Besides material properties, surface structures have impact on the spectral radiative properties of rough surfaces. Based on the finite difference time domain algorithm, this paper studies the spectral energy propagation process on a two-dimensional rough surface and analyzes the effect of different factors such as the surface structure, angle, and polarization state of the incident wave on the spectral radiative properties of the two-dimensional rough surface. To quantitatively investigate the spatial distribution of energy reflected from the rough surface, the concept of the bidirectional reflectance distribution function is introduced. Correlation analysis between the reflectance and different impact factors is conducted to evaluate the influence degree. Comparison between the theoretical and experimental data is given to elucidate the accuracy of the computational code. This study is beneficial to optimizing the surface structures of optoelectronic devices such as solar cells.

  1. Two dimensional convolute integers for machine vision and image recognition

    Science.gov (United States)

    Edwards, Thomas R.

    1988-01-01

    Machine vision and image recognition require sophisticated image processing prior to the application of Artificial Intelligence. Two Dimensional Convolute Integer Technology is an innovative mathematical approach for addressing machine vision and image recognition. This new technology generates a family of digital operators for addressing optical images and related two dimensional data sets. The operators are regression generated, integer valued, zero phase shifting, convoluting, frequency sensitive, two dimensional low pass, high pass and band pass filters that are mathematically equivalent to surface fitted partial derivatives. These operators are applied non-recursively either as classical convolutions (replacement point values), interstitial point generators (bandwidth broadening or resolution enhancement), or as missing value calculators (compensation for dead array element values). These operators show frequency sensitive feature selection scale invariant properties. Such tasks as boundary/edge enhancement and noise or small size pixel disturbance removal can readily be accomplished. For feature selection tight band pass operators are essential. Results from test cases are given.

  2. Optical modulators with two-dimensional layered materials

    CERN Document Server

    Sun, Zhipei; Wang, Feng

    2016-01-01

    Light modulation is an essential operation in photonics and optoelectronics. With existing and emerging technologies increasingly demanding compact, efficient, fast and broadband optical modulators, high-performance light modulation solutions are becoming indispensable. The recent realization that two-dimensional layered materials could modulate light with superior performance has prompted intense research and significant advances, paving the way for realistic applications. In this review, we cover the state-of-the-art of optical modulators based on two-dimensional layered materials including graphene, transition metal dichalcogenides and black phosphorus. We discuss recent advances employing hybrid structures, such as two-dimensional heterostructures, plasmonic structures, and silicon/fibre integrated structures. We also take a look at future perspectives and discuss the potential of yet relatively unexplored mechanisms such as magneto-optic and acousto-optic modulation.

  3. Variably saturated flow and multicomponent biogeochemical reactive transport modeling of a uranium bioremediation field experiment.

    Science.gov (United States)

    Yabusaki, Steven B; Fang, Yilin; Williams, Kenneth H; Murray, Christopher J; Ward, Andy L; Dayvault, Richard D; Waichler, Scott R; Newcomer, Darrell R; Spane, Frank A; Long, Philip E

    2011-11-01

    Three-dimensional, coupled variably saturated flow and biogeochemical reactive transport modeling of a 2008 in situ uranium bioremediation field experiment is used to better understand the interplay of transport and biogeochemical reactions controlling uranium behavior under pulsed acetate amendment, seasonal water table variation, spatially variable physical (hydraulic conductivity, porosity) and geochemical (reactive surface area) material properties. While the simulation of the 2008 Big Rusty acetate biostimulation field experiment in Rifle, Colorado was generally consistent with behaviors identified in previous field experiments at the Rifle IFRC site, the additional process and property detail provided several new insights. A principal conclusion from this work is that uranium bioreduction is most effective when acetate, in excess of the sulfate-reducing bacteria demand, is available to the metal-reducing bacteria. The inclusion of an initially small population of slow growing sulfate-reducing bacteria identified in proteomic analyses led to an additional source of Fe(II) from the dissolution of Fe(III) minerals promoted by biogenic sulfide. The falling water table during the experiment significantly reduced the saturated thickness of the aquifer and resulted in reactants and products, as well as unmitigated uranium, in the newly unsaturated vadose zone. High permeability sandy gravel structures resulted in locally high flow rates in the vicinity of injection wells that increased acetate dilution. In downgradient locations, these structures created preferential flow paths for acetate delivery that enhanced local zones of TEAP reactivity and subsidiary reactions. Conversely, smaller transport rates associated with the lower permeability lithofacies (e.g., fine) and vadose zone were shown to limit acetate access and reaction. Once accessed by acetate, however, these same zones limited subsequent acetate dilution and provided longer residence times that resulted

  4. Measurement and modelling of reactive transport in geological barriers for nuclear waste containment.

    Science.gov (United States)

    Xiong, Qingrong; Joseph, Claudia; Schmeide, Katja; Jivkov, Andrey P

    2015-11-11

    Compacted clays are considered as excellent candidates for barriers to radionuclide transport in future repositories for nuclear waste due to their very low hydraulic permeability. Diffusion is the dominant transport mechanism, controlled by a nano-scale pore system. Assessment of the clays' long-term containment function requires adequate modelling of such pore systems and their evolution. Existing characterisation techniques do not provide complete pore space information for effective modelling, such as pore and throat size distributions and connectivity. Special network models for reactive transport are proposed here using the complimentary character of the pore space and the solid phase. This balances the insufficient characterisation information and provides the means for future mechanical-physical-chemical coupling. The anisotropy and heterogeneity of clays is represented using different length parameters and percentage of pores in different directions. Resulting networks are described as mathematical graphs with efficient discrete calculus formulation of transport. Opalinus Clay (OPA) is chosen as an example. Experimental data for the tritiated water (HTO) and U(vi) diffusion through OPA are presented. Calculated diffusion coefficients of HTO and uranium species are within the ranges of the experimentally determined data in different clay directions. This verifies the proposed pore network model and validates that uranium complexes are diffusing as neutral species in OPA. In the case of U(vi) diffusion the method is extended to account for sorption and convection. Rather than changing pore radii by coarse grained mathematical formula, physical sorption is simulated in each pore, which is more accurate and realistic.

  5. Energetic Ion Transport and Concomitant Change of the Fusion Reactivity during Reconnection Events in Spherical Tori

    Energy Technology Data Exchange (ETDEWEB)

    Ya.I. Kolesnichenko; V.V. Lutsenko; R.B. White; Yu.V. Yakovenko

    2004-07-06

    Effects of MHD reconnection events on the beam-plasma fusion reactivity and transport of the beam ions are studied. Based on the analysis of fusion reactivity changes induced by MHD events, the conclusion is drawn that the strong drops of the neutron yield during sawtooth crashes observed in the National Spherical Torus experiment (NSTX) [M. Ono et al., Nucl. Fusion 40, 557 (2000)] are associated with both a particle redistribution inside the plasma and a loss of the beam ions. Mechanisms of the energetic ion transport during sawtooth crashes are analyzed, in particular, with the use of the resonance adiabatic invariant derived in this paper. A numerical simulation of the particle motion during a sawtooth crash in NSTX is done with the code OFSEF [Ya. I. Kolesnichenko, et al., Nucl. Fusion 40, 1325 (2000)] extended for a better description of the particle precession. It is shown that the motion of toroidally passing particles in NSTX can become stochastic under the influence of a crash. This stochasticity, as well as the motion along the resonance island, leads to the escape of some particles from the plasma.

  6. Impact of carbonate precipitation on flow and reactive transport in porous media

    Science.gov (United States)

    Noiriel, C. N.; Yang, L.; Ajo Franklin, J. B.; Steefel, C.

    2010-12-01

    Precipitation of carbonates during CO2 sequestration can affect both flow and transport in porous media, leading to reservoir injectivity decrease. This process has been studied experimentally during early stages of carbonate crystal growth. Supersaturated CO2-rich solutions at saturations states of Ω= 5 or 27 were flowed through cylindrical cores packed with glass beads, calcite spar crystals and aragonite ooids over the course of several weeks to induce calcite precipitation. Samples were characterized using X-ray microtomography at the Berkeley Laboratory (Advanced Light Source) to provide 3D imaging of crystal growth. Observations of the two different supersatuations indicate differences both in the crystal growth rate and morphology, and thus the modification of pore geometry. Porosity decreases most close to the column inlet as expected, where the saturation index is highest. Changes in porosity were modelled at the continuum scale using the multicomponent reactive transport software, CrunchFlow, which accounts for the change in saturation states and rates over the length of the column. Comparison with the results of well-stirred reactor precipitation experiments allow a quantification of the evolving reactive surface area and rates within the porous medium of the column.

  7. Selective Removal of Nitrogen-Containing Heterocyclic Compounds from Transportation Diesel Fuels with Reactive Adsorbent

    Institute of Scientific and Technical Information of China (English)

    YANG Lei; WANG Shengqiang; WANG Ruicong; YU Hongbing

    2013-01-01

    This paper presents a new selective adsorbent to remove nitrogen-containing heterocyclic compounds from model and commercial transportation diesel fuels based on characteristic reaction designed to occur in the pores of substrate.This reactive adsorbent is composed of formaldehyde,phosphotungstic acid and Santa Barbara USA (SBA)-15.The experiment was based on assumed hydroxymethylation reaction of nitrogen-containing heterocyclic compounds with formaldehyde using phosphotungstic acid as catalyst in batch and fixed-bed systems.The nitrogen concentration in the model fuel was 237.33 ng·μl-1,carbazole and toluene were used as model nitrogen-containing heterocyclic compound and solvent,respectively.The effectiveness of reactive adsorbent for removal of nitrogen-containing heterocyclic compounds from commercial 0# diesel fuel containing 224.86 ng· μl-1 nitrogen was examined in a fixed-bed reactor at 70 ℃.The results showed that nitro1gen in the model fuel was very low and the nitrogen concentration in the commercial diesel reduced to 2.44 ng· μl-1.The demand for transportation fuel with ultra-low nitrogen is satisfied.

  8. Experimental Study and Reactive Transport Modeling of Boric Acid Leaching of Concrete

    Directory of Open Access Journals (Sweden)

    Chiang K.-T. K.

    2013-07-01

    Full Text Available Borated water leakage through spent fuel pools (SFPs at pressurized water reactors is a concern because it could cause corrosion of reinforcement steel in the concrete structure, compromise the integrity of the structure, or cause unmonitored releases of contaminated water to the environment. Experimental data indicate that pH is a critical parameter that determines the corrosion susceptibility of rebar in borated water and the degree of concrete degradation by boric acid leaching. In this study, reactive transport modeling of concrete leaching by borated water was performed to provide information on the solution pH in the concrete crack or matrix and the degree of concrete degradation at different locations of an SFP concrete structure exposed to borated water. Simulations up to 100 years were performed using different boric acid concentrations, crack apertures, and solution flow rates. Concrete cylinders were immersed in boric acid solutions for several months and the mineralogical changes and boric acid penetration in the concrete cylinder were evaluated as a function of time. The depths of concrete leaching by boric acid solution derived from the reactive transport simulations were compared with the measured boric acid penetration depth.

  9. Nitrate Biogeochemistry and Reactive Transport in California Groundwater: LDRD Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Esser, B K; Beller, H; Carle, S; Cey, B; Hudson, G B; Leif, R; LeTain, T; Moody-Bartel, C; Moore, K; McNab, W; Moran, J; Tompson, A

    2006-02-24

    Nitrate is the number one drinking water contaminant in the United States. It is pervasive in surface and groundwater systems,and its principal anthropogenic sources have increased dramatically in the last 50 years. In California alone, one third of the public drinking-water wells has been lost since 1988 and nitrate contamination is the most common reason for abandonment. Effective nitrate management in groundwater is complicated by uncertainties related to multiple point and non-point sources, hydrogeologic complexity, geochemical reactivity, and quantification of denitrification processes. In this paper, we review an integrated experimental and simulation-based framework being developed to study the fate of nitrate in a 25 km-long groundwater subbasin south of San Jose, California, a historically agricultural area now undergoing rapid urbanization with increasing demands for groundwater. The modeling approach is driven by a need to integrate new and archival data that support the hypothesis that nitrate fate and transport at the basin scale is intricately related to hydrostratigraphic complexity, variability of flow paths and groundwater residence times, microbial activity, and multiple geochemical reaction mechanisms. This study synthesizes these disparate and multi-scale data into a three-dimensional and highly resolved reactive transport modeling framework.

  10. Multiphase flow and multicomponent reactive transport model of the ventilation experiment in Opalinus clay

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, L.; Samper, J.; Montenegro, L.; Major, J.C.

    2008-10-15

    During the construction and operational phases of a high-level radioactive waste (HLW) repository constructed in a clay formation, ventilation of underground drifts will cause desaturation and oxidation of the rock. The Ventilation Experiment (VE) was performed in a 1.3 m diameter unlined horizontal microtunnel on Opalinus clay at Mont Terri underground research laboratory in Switzerland to evaluate the impact of desaturation on rock properties. A multiphase flow and reactive transport model of VE is presented here. The model accounts for liquid, vapor and air flow, evaporation/condensation and multicomponent reactive solute transport with kinetic dissolution of pyrite and siderite and local-equilibrium dissolution/precipitation of calcite, ferrihydrite, dolomite, gypsum and quartz. Model results reproduce measured vapor flow, liquid pressure and hydrochemical data and capture the trends of measured relative humidities, although such data are slightly overestimated near the rock interface due to uncertainties in the turbulence factor. Rock desaturation allows oxygen to diffuse into the rock and triggers pyrite oxidation, dissolution of calcite and siderite, precipitation of ferrihydrite, dolomite and gypsum and cation exchange. pH in the unsaturated rock varies from 7.8 to 8 and is buffered by calcite. Computed changes in the porosity and the permeability of Opalinus clay in the unsaturated zone caused by oxidation and mineral dissolution/precipitation are smaller than 5%. Therefore, rock properties are not expected to be affected significantly by ventilation of underground drifts during construction and operational phases of a HLW repository in clay.

  11. Two-dimensional superconductors with atomic-scale thickness

    Science.gov (United States)

    Uchihashi, Takashi

    2017-01-01

    Recent progress in two-dimensional superconductors with atomic-scale thickness is reviewed mainly from the experimental point of view. The superconducting systems treated here involve a variety of materials and forms: elemental metal ultrathin films and atomic layers on semiconductor surfaces; interfaces and superlattices of heterostructures made of cuprates, perovskite oxides, and rare-earth metal heavy-fermion compounds; interfaces of electric-double-layer transistors; graphene and atomic sheets of transition metal dichalcogenide; iron selenide and organic conductors on oxide and metal surfaces, respectively. Unique phenomena arising from the ultimate two dimensionality of the system and the physics behind them are discussed.

  12. TreePM Method for Two-Dimensional Cosmological Simulations

    Indian Academy of Sciences (India)

    Suryadeep Ray

    2004-09-01

    We describe the two-dimensional TreePM method in this paper. The 2d TreePM code is an accurate and efficient technique to carry out large two-dimensional N-body simulations in cosmology. This hybrid code combines the 2d Barnes and Hut Tree method and the 2d Particle–Mesh method. We describe the splitting of force between the PM and the Tree parts. We also estimate error in force for a realistic configuration. Finally, we discuss some tests of the code.

  13. Singular analysis of two-dimensional bifurcation system

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Bifurcation properties of two-dimensional bifurcation system are studied in this paper.Universal unfolding and transition sets of the bifurcation equations are obtained.The whole parametric plane is divided into several different persistent regions according to the type of motion,and the different qualitative bifurcation diagrams in different persistent regions are given.The bifurcation properties of the two-dimensional bifurcation system are compared with its reduced one-dimensional system.It is found that the system which is reduced to one dimension has lost many bifurcation properties.

  14. Critical Behaviour of a Two-Dimensional Random Antiferromagnet

    DEFF Research Database (Denmark)

    Als-Nielsen, Jens Aage; Birgeneau, R. J.; Guggenheim, H. J.

    1976-01-01

    A neutron scattering study of the order parameter, correlation length and staggered susceptibility of the two-dimensional random antiferromagnet Rb2Mn0.5Ni0.5F4 is reported. The system is found to exhibit a well-defined phase transition with critical exponents identical to those of the isomorphou...... pure materials K2NiF4 and K2MnF4. Thus, in these systems, which have the asymptotic critical behaviour of the two-dimensional Ising model, randomness has no measurable effect on the phase-transition behaviour....

  15. Nonlinear excitations in two-dimensional molecular structures with impurities

    DEFF Research Database (Denmark)

    Gaididei, Yuri Borisovich; Rasmussen, Kim; Christiansen, Peter Leth

    1995-01-01

    We study the nonlinear dynamics of electronic excitations interacting with acoustic phonons in two-dimensional molecular structures with impurities. We show that the problem is reduced to the nonlinear Schrodinger equation with a varying coefficient. The latter represents the influence of the imp......We study the nonlinear dynamics of electronic excitations interacting with acoustic phonons in two-dimensional molecular structures with impurities. We show that the problem is reduced to the nonlinear Schrodinger equation with a varying coefficient. The latter represents the influence...... excitations. Analytical results are in good agreement with numerical simulations of the nonlinear Schrodinger equation....

  16. Vortices in the Two-Dimensional Simple Exclusion Process

    Science.gov (United States)

    Bodineau, T.; Derrida, B.; Lebowitz, Joel L.

    2008-06-01

    We show that the fluctuations of the partial current in two dimensional diffusive systems are dominated by vortices leading to a different scaling from the one predicted by the hydrodynamic large deviation theory. This is supported by exact computations of the variance of partial current fluctuations for the symmetric simple exclusion process on general graphs. On a two-dimensional torus, our exact expressions are compared to the results of numerical simulations. They confirm the logarithmic dependence on the system size of the fluctuations of the partial flux. The impact of the vortices on the validity of the fluctuation relation for partial currents is also discussed in an Appendix.

  17. Two-dimensional hazard estimation for longevity analysis

    DEFF Research Database (Denmark)

    Fledelius, Peter; Guillen, M.; Nielsen, J.P.

    2004-01-01

    the two-dimensional mortality surface. Furthermore we look at aggregated synthetic population metrics as 'population life expectancy' and 'population survival probability'. For Danish women these metrics indicate decreasing mortality with respect to chronological time. The metrics can not directly be used......We investigate developments in Danish mortality based on data from 1974-1998 working in a two-dimensional model with chronological time and age as the two dimensions. The analyses are done with non-parametric kernel hazard estimation techniques. The only assumption is that the mortality surface...... for analysis of economic implications arising from mortality changes....

  18. Field analysis of two-dimensional focusing grating couplers

    Science.gov (United States)

    Borsboom, P.-P.; Frankena, H. J.

    1995-05-01

    A different technique was developed by which several two-dimensional dielectric optical gratings, consisting 100 or more corrugations, were treated in a numerical reliable approach. The numerical examples that were presented were restricted to gratings made up of sequences of waveguide sections symmetric about the x = 0 plane. The newly developed method was effectively used to investigate the field produced by a two-dimensional focusing grating coupler. Focal-region fields were determined for three symmetrical gratings with 19, 50, and 124 corrugations. For focusing grating coupler with limited length, high-frequency intensity variations were noted in the focal region.

  19. Self-assembly of two-dimensional DNA crystals

    Institute of Scientific and Technical Information of China (English)

    SONG Cheng; CHEN Yaqing; WEI Shuai; YOU Xiaozeng; XIAO Shoujun

    2004-01-01

    Self-assembly of synthetic oligonucleotides into two-dimensional lattices presents a 'bottom-up' approach to the fabrication of devices on nanometer scale. We report the design and observation of two-dimensional crystalline forms of DNAs that are composed of twenty-one plane oligonucleotides and one phosphate-modified oligonucleotide. These synthetic sequences are designed to self-assemble into four double-crossover (DX) DNA tiles. The 'sticky ends' of these tiles that associate according to Watson-Crick's base pairing are programmed to build up specific periodic patterns upto tens of microns. The patterned crystals are visualized by the transmission electron microscopy.

  20. Dynamics of vortex interactions in two-dimensional flows

    DEFF Research Database (Denmark)

    Juul Rasmussen, J.; Nielsen, A.H.; Naulin, V.

    2002-01-01

    a critical value, a(c). Using the Weiss-field, a(c) is estimated for vortex patches. Introducing an effective radius for vortices with distributed vorticity, we find that 3.3 a(c) ...The dynamics and interaction of like-signed vortex structures in two dimensional flows are investigated by means of direct numerical solutions of the two-dimensional Navier-Stokes equations. Two vortices with distributed vorticity merge when their distance relative to their radius, d/R-0l. is below...

  1. Two-dimensional assignment with merged measurements using Langrangrian relaxation

    Science.gov (United States)

    Briers, Mark; Maskell, Simon; Philpott, Mark

    2004-01-01

    Closely spaced targets can result in merged measurements, which complicate data association. Such merged measurements violate any assumption that each measurement relates to a single target. As a result, it is not possible to use the auction algorithm in its simplest form (or other two-dimensional assignment algorithms) to solve the two-dimensional target-to-measurement assignment problem. We propose an approach that uses the auction algorithm together with Lagrangian relaxation to incorporate the additional constraints resulting from the presence of merged measurements. We conclude with some simulated results displaying the concepts introduced, and discuss the application of this research within a particle filter context.

  2. Two-dimensional lattice Boltzmann model for magnetohydrodynamics.

    Science.gov (United States)

    Schaffenberger, Werner; Hanslmeier, Arnold

    2002-10-01

    We present a lattice Boltzmann model for the simulation of two-dimensional magnetohydro dynamic (MHD) flows. The model is an extension of a hydrodynamic lattice Boltzman model with 9 velocities on a square lattice resulting in a model with 17 velocities. Earlier lattice Boltzmann models for two-dimensional MHD used a bidirectional streaming rule. However, the use of such a bidirectional streaming rule is not necessary. In our model, the standard streaming rule is used, allowing smaller viscosities. To control the viscosity and the resistivity independently, a matrix collision operator is used. The model is then applied to the Hartmann flow, giving reasonable results.

  3. Quasinormal frequencies of asymptotically flat two-dimensional black holes

    CERN Document Server

    Lopez-Ortega, A

    2011-01-01

    We discuss whether the minimally coupled massless Klein-Gordon and Dirac fields have well defined quasinormal modes in single horizon, asymptotically flat two-dimensional black holes. To get the result we solve the equations of motion in the massless limit and we also calculate the effective potentials of Schrodinger type equations. Furthermore we calculate exactly the quasinormal frequencies of the Dirac field propagating in the two-dimensional uncharged Witten black hole. We compare our results on its quasinormal frequencies with other already published.

  4. Spin dynamics in a two-dimensional quantum gas

    DEFF Research Database (Denmark)

    Pedersen, Poul Lindholm; Gajdacz, Miroslav; Deuretzbacher, Frank

    2014-01-01

    We have investigated spin dynamics in a two-dimensional quantum gas. Through spin-changing collisions, two clouds with opposite spin orientations are spontaneously created in a Bose-Einstein condensate. After ballistic expansion, both clouds acquire ring-shaped density distributions with superimp......We have investigated spin dynamics in a two-dimensional quantum gas. Through spin-changing collisions, two clouds with opposite spin orientations are spontaneously created in a Bose-Einstein condensate. After ballistic expansion, both clouds acquire ring-shaped density distributions...

  5. Macropore system characteristics controls on non-reactive solute transport at different flow rates

    Science.gov (United States)

    Larsbo, Mats; Koestel, John

    2014-05-01

    Preferential flow and transport in macroporous soils are important pathways for the leaching of agrochemicals through soils. Preferential solute transport in soil is to a large extent determined by the macropore system characteristics and the water flow conditions. The importance of different characteristics of the macropore system is likely to vary with the flow conditions. The objective of this study was to determine which properties of the macropore system that control the shape of non-reactive tracer solute breakthrough curves at different steady-state flow rates. We sampled five undisturbed columns (20 cm high, 20 cm diameter) from the soil surface of four soils with clay contents between 21 and 50 %. Solute transport experiments were carried out under unsaturated conditions at 2, 4, 6, 8 and 12 mm h-1 flow rates. For each flow rate a pulse of potassium bromide solution was applied at the soil surface and the electrical conductivity was measured with high temporal resolution in the column effluent. We used the 5 % arrival time and the holdback factor to estimate the degree of preferential transport from the resulting breakthrough curves. Unsaturated hydraulic conductivities were measured at the soil surface of the columns using a tension disc infiltrometer. The macropore system was imaged by industrial X-ray computed tomography at a resolution of 125 μm in all directions. Measures of the macropore system characteristics including measures of pore continuity were calculated from these images using the ImageJ software. Results show that the degree of preferential transport is generally increasing with flow rate when larger pores become active in the transport. The degree of preferential flow was correlated to measures of macropore topology. This study show that conclusions drawn from experiments carried out at one flow rate should generally not be extrapolated to other flow rates.

  6. Development of a numerical reactive transport modelling framework - Concept & Case Studies

    Science.gov (United States)

    Kalbacher, T.; Jang, E.; He, W.; Shao, H.; Zolfaghari, R.; Kolditz, O.

    2014-12-01

    Civilization and in particular agriculture worldwide depends on the availability of clean freshwater resources stored in the underlying soil and aquifer systems. Unfortunately, water quality is often deteriorating, which is e.g. due to the extensive use of fertilizers or pesticides in agriculture or infiltrating waste water from cities and industries. All groundwater bodies commonly discharge into the nearby surface-water bodies like streams, lakes, or springs, and soil water is a direct water source for the biosphere. Therefore, bio-hydro-geochemical reaction systems along flow paths of the unsaturated as well as the saturated zone can have a strong impact on aquatic and terrestrial ecosystems. The simulation of such reactive transport problems in different hydrological compartments can help to understanding the comprehensive processes chain. One way to evaluate the water quality in space and time is to model the mass transport in soil and/or groundwater together with the contemporaneous chemical reactions numerically. Such physical and bio- hydro- geochemical driven forward simulations are usually solved by standard finite differences, finite element or finite volume methods, but simulating these scenarios at catchment scales is a challenging task due to the extreme computational load, numerical stability issues and different scale-dependencies. The main focus of the present study is the numerical simulation of reactive transport processes in heterogeneous porous media at large scales, i.e. from field scale, over hill slopes towards catchment scale. The objective of the study is, to develop a robust modelling framework which allows to identify appropriate levels of heterogeneity as well as the possibly dominating structural features (e.g. S-shaped clay lenses) with respect to specific reaction systems. The presented modelling framework will describe the functional interaction of different numerical methods and high performing computing (HPC) techniques by the use

  7. Reactive transport modeling of coupled inorganic and organic processes in groundwater

    Energy Technology Data Exchange (ETDEWEB)

    Brun, Adam

    1997-12-31

    The main goals of this project are to develop and apply a reactive transport code for simulation of coupled organic and inorganic processes in the pollution plume in the ground water down-gradient from the Vejen landfill, Denmark. The detailed field investigations in this aquifer have previously revealed a complex pattern of strongly interdependent organic and inorganic processes. These processes occur simultaneously in a flow and transport system where the mixing of reactive species is influenced by the rather complex geology in the vicinity of the landfill. The removal of organic matter is influenced by the presence of various electron acceptors that also are involved in various inorganic geochemical reactions. It was concluded from the investigations that degradation of organic matter, complexation, mineral precipitation and dissolution, ion-exchange and inorganic redox reactions, as a minimum, should be included in the formulation of the model. The coupling of the organic and inorganic processes is developed based on a literature study. All inorganic processes are as an approximation described as equilibriumm processes. The organic processes are described by a maximum degradation rate that is decreased according to the availability of the participants in the processes, the actual pH, and the presence of inhibiting species. The reactive transport code consists of three separate codes, a flow and transport code, a geochemical code, and a biodegradation code. An iterative solution scheme couples the three codes. The coupled code was successfully verified for simple problems for which analytical solutions exist. For more complex problems the code was tested on synthetic cases and expected plume behavior was successfully simulated. Application of the code to the Vejen landfill aquifer was successful to the degree that the redox zonation down-gradient from the landfill was simulated correctly and that several of the simulated plumes showed a reasonable agreement with

  8. On some classes of two-dimensional local models in discrete two-dimensional monatomic FPU lattice with cubic and quartic potential

    Institute of Scientific and Technical Information of China (English)

    Xu Quan; Tian Qiang

    2009-01-01

    This paper discusses the two-dimensional discrete monatomic Fermi-Pasta-Ulam lattice, by using the method of multiple-scale and the quasi-discreteness approach. By taking into account the interaction between the atoms in the lattice and their nearest neighbours, it obtains some classes of two-dimensional local models as follows: two-dimensional bright and dark discrete soliton trains, two-dimensional bright and dark line discrete breathers, and two-dimensional bright and dark discrete breather.

  9. Analytical solutions for reactive transport under an infiltration-redistribution cycle.

    Science.gov (United States)

    Severino, Gerardo; Indelman, Peter

    2004-05-01

    Transport of reactive solute in unsaturated soils under an infiltration-redistribution cycle is investigated. The study is based on the model of vertical flow and transport in the unsaturated zone proposed by Indelman et al. [J. Contam. Hydrol. 32 (1998) 77], and generalizes it by accounting for linear nonequilibrium kinetics. An exact analytical solution is derived for an irreversible desorption reaction. The transport of solute obeying linear kinetics is modeled by assuming equilibrium during the redistribution stage. The model which accounts for nonequilibrium during the infiltration and assumes equilibrium at the redistribution stage is termed partial equilibrium infiltration-redistribution model (PEIRM). It allows to derive approximate closed form solutions for transport in one-dimensional homogeneous soils. These solutions are further applied to computing the field-scale concentration by adopting the Dagan and Bresler [Soil Sci. Soc. Am. J. 43 (1979) 461] column model. The effect of soil heterogeneity on the solute spread is investigated by modeling the hydraulic saturated conductivity as a random function of horizontal coordinates. The quality of the PEIRM is illustrated by calculating the critical values of the Damköhler number which provide the achievable accuracy in estimating the solute mass in the mobile phase. The distinguishing feature of transport during the infiltration-redistribution cycle as compared to that of infiltration only is the finite depth of solute penetration. For irreversible desorption, the maximum solute penetration W/theta(r) is determined by the amount of applied water W and the residual water content theta(r). For sorption-desorption kinetics, the maximum depth of penetration z(r)(e, infinity ) also depends on the ratio between the rate of application and the column-saturated conductivity. It is shown that z(r)(e, infinity ) is bounded between the depths W/(theta(r)+K(d)) and W/theta(r) corresponding to the maximum solute

  10. Mapping two-dimensional polar active fluids to two-dimensional soap and one-dimensional sandblasting

    Science.gov (United States)

    Chen, Leiming; Lee, Chiu Fan; Toner, John

    2016-07-01

    Active fluids and growing interfaces are two well-studied but very different non-equilibrium systems. Each exhibits non-equilibrium behaviour distinct from that of their equilibrium counterparts. Here we demonstrate a surprising connection between these two: the ordered phase of incompressible polar active fluids in two spatial dimensions without momentum conservation, and growing one-dimensional interfaces (that is, the 1+1-dimensional Kardar-Parisi-Zhang equation), in fact belong to the same universality class. This universality class also includes two equilibrium systems: two-dimensional smectic liquid crystals, and a peculiar kind of constrained two-dimensional ferromagnet. We use these connections to show that two-dimensional incompressible flocks are robust against fluctuations, and exhibit universal long-ranged, anisotropic spatio-temporal correlations of those fluctuations. We also thereby determine the exact values of the anisotropy exponent ζ and the roughness exponents χx,y that characterize these correlations.

  11. Modeling reactive geochemical transport of concentrated aqueous solutions in variably saturated media

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Guoxiang; Zheng, Zuoping; Wan, Jiamin

    2004-01-28

    Concentrated aqueous solutions (CAS) have unique thermodynamic and physical properties. Chemical components in CAS are incompletely dissociated, especially those containing divalent or polyvalent ions. The problem is further complicated by the interaction between CAS flow processes and the naturally heterogeneous sediments. As the CAS migrates through the porous media, the composition may be altered subject to fluid-rock interactions. To effectively model reactive transport of CAS, we must take into account ion-interaction. A combination of the Pitzer ion-interaction and the ion-association model would be an appropriate way to deal with multiple-component systems if the Pitzer' parameters and thermodynamic data of dissolved components and the related minerals are available. To quantify the complicated coupling of CAS flow and transport, as well as the involved chemical reactions in natural and engineered systems, we have substantially extended an existing reactive biogeochemical transport code, BIO-CORE{sup 2D}{copyright}, by incorporating a comprehensive Pitzer ion-interaction model. In the present paper, the model, and two test cases against measured data were briefly introduced. Finally we present an application to simulate a laboratory column experiment studying the leakage of the high alkaline waste fluid stored in Hanford (a site of the U.S. Department of Energy, located in Washington State, USA). With the Pitzer ion-interaction ionic activity model, our simulation captures measured pH evolution. The simulation indicates that all the reactions controlling the pH evolution, including cation exchanges, mineral precipitation and dissolution, are coupled.

  12. Simulation Of Groundwater Flow And Reactive Transport In A Tidally Influenced Estuarine Aquifer

    Science.gov (United States)

    Mao, X.; Barry, D. A.; Enot, P.; Li, L.

    2003-12-01

    Existing groundwater monitoring data from an estuarine sandy aquifer situated below an old industrial landfill (Scotland) showed that (1) leaching from sulphurous waste located in the landfill has generated an acidic plume; (2) associated with the low pH, metal contaminants within the acidic plume are slowly migrating towards the estuary; and (3) the groundwater fluctuations are influenced by the tidal oscillations of the estuary. In order to test the possible influence of rainfall/precipitation, tidal fluctuation and salt water intrusion on the groundwater flow and reactive chemical transport, a model for multi-component reactive transport with density dependent flow was developed and applied to the site. The groundwater flow and chemical transport in this coastal aquifer were simulated. Both the field observations and numerical simulations showed that the tidal influence on the groundwater table fluctuations was great even far inland. This influence could not be explained by standard analytical solutions. It is expected that the local morphology and hydro-geological conditions cause this behaviour. The simulation performed with a conservative tracer showed that it took much less time to reach the estuary than the acidic plume originating from the landfill, with the rate of movement influenced by recharge and tidal oscillations. Due to buffering reactions occurring in the geochemical system during the migration of the contaminants (ion exchange, mineral precipitation/dissolution and oxidation/reduction), the movement of the acidic plume and associated metals is strongly retarded. Sharp differences are apparent in chemical concentrations, pH and pe, between the plume location and unaffected areas.

  13. Evaluating remedial alternatives for an acid mine drainage stream: Application of a reactive transport model

    Science.gov (United States)

    Runkel, R.L.; Kimball, B.A.

    2002-01-01

    A reactive transport model based on one-dimensional transport and equilibrium chemistry is applied to synoptic data from an acid mine drainage stream. Model inputs include streamflow estimates based on tracer dilution, inflow chemistry based on synoptic sampling, and equilibrium constants describing acid/base, complexation, precipitation/dissolution, and sorption reactions. The dominant features of observed spatial profiles in pH and metal concentration are reproduced along the 3.5-km study reach by simulating the precipitation of Fe(III) and Al solid phases and the sorption of Cu, As, and Pb onto freshly precipitated iron-(III) oxides. Given this quantitative description of existing conditions, additional simulations are conducted to estimate the streamwater quality that could result from two hypothetical remediation plans. Both remediation plans involve the addition of CaCO3 to raise the pH of a small, acidic inflow from ???2.4 to ???7.0. This pH increase results in a reduced metal load that is routed downstream by the reactive transport model, thereby providing an estimate of post-remediation water quality. The first remediation plan assumes a closed system wherein inflow Fe(II) is not oxidized by the treatment system; under the second remediation plan, an open system is assumed, and Fe(II) is oxidized within the treatment system. Both plans increase instream pH and substantially reduce total and dissolved concentrations of Al, As, Cu, and Fe(II+III) at the terminus of the study reach. Dissolved Pb concentrations are reduced by ???18% under the first remediation plan due to sorption onto iron-(III) oxides within the treatment system and stream channel. In contrast, iron(III) oxides are limiting under the second remediation plan, and removal of dissolved Pb occurs primarily within the treatment system. This limitation results in an increase in dissolved Pb concentrations over existing conditions as additional downstream sources of Pb are not attenuated by

  14. Estimating the hydraulic conductivity of two-dimensional fracture networks

    Science.gov (United States)

    Leung, C. T.; Zimmerman, R. W.

    2010-12-01

    Most oil and gas reservoirs, as well as most potential sites for nuclear waste disposal, are naturally fractured. In these sites, the network of fractures will provide the main path for fluid to flow through the rock mass. In many cases, the fracture density is so high as to make it impractical to model it with a discrete fracture network (DFN) approach. For such rock masses, it would be useful to have recourse to analytical, or semi-analytical, methods to estimate the macroscopic hydraulic conductivity of the fracture network. We have investigated single-phase fluid flow through stochastically generated two-dimensional fracture networks. The centres and orientations of the fractures are uniformly distributed, whereas their lengths follow either a lognormal distribution or a power law distribution. We have considered the case where the fractures in the network each have the same aperture, as well as the case where the aperture of each fracture is directly proportional to the fracture length. The discrete fracture network flow and transport simulator NAPSAC, developed by Serco (Didcot, UK), is used to establish the “true” macroscopic hydraulic conductivity of the network. We then attempt to match this conductivity using a simple estimation method that does not require extensive computation. For our calculations, fracture networks are represented as networks composed of conducting segments (bonds) between nodes. Each bond represents the region of a single fracture between two adjacent intersections with other fractures. We assume that the bonds are arranged on a kagome lattice, with some fraction of the bonds randomly missing. The conductance of each bond is then replaced with some effective conductance, Ceff, which we take to be the arithmetic mean of the individual conductances, averaged over each bond, rather than over each fracture. This is in contrast to the usual approximation used in effective medium theories, wherein the geometric mean is used. Our

  15. Waiting Time Dynamics in Two-Dimensional Infrared Spectroscopy

    NARCIS (Netherlands)

    Jansen, Thomas L. C.; Knoester, Jasper

    We review recent work on the waiting time dynamics of coherent two-dimensional infrared (2DIR) spectroscopy. This dynamics can reveal chemical and physical processes that take place on the femto- and picosecond time scale, which is faster than the time scale that may be probed by, for example,

  16. The partition function of two-dimensional string theory

    Science.gov (United States)

    Dijkgraaf, Robbert; Moore, Gregory; Plesser, Ronen

    1993-04-01

    We derive a compact and explicit expression for the generating functional of all correlation functions of tachyon operators in two-dimensional string theory. This expression makes manifest relations of the c = 1 system to KP flow nd W 1 + ∞ constraints. Moreover we derive a Kontsevich-Penner integral representation of this generating functional.

  17. The partition function of two-dimensional string theory

    Energy Technology Data Exchange (ETDEWEB)

    Dijkgraaf, R. (School of Natural Sciences, Inst. for Advanced Study, Princeton, NJ (United States) Dept. of Mathematics, Univ. Amsterdam (Netherlands)); Moore, G.; Plesser, R. (Dept. of Physics, Yale Univ., New Haven, CT (United States))

    1993-04-12

    We derive a compact and explicit expression for the generating functional of all correlation functions of tachyon operators in two-dimensional string theory. This expression makes manifest relations of the c=1 system to KP flow and W[sub 1+[infinity

  18. Two-Dimensional Electronic Spectroscopy of a Model Dimer System

    Directory of Open Access Journals (Sweden)

    Prokhorenko V.I.

    2013-03-01

    Full Text Available Two-dimensional spectra of a dimer were measured to determine the timescale for electronic decoherence at room temperature. Anti-correlated beats in the crosspeaks were observed only during the period corresponding to the measured homogeneous lifetime.

  19. Torque magnetometry studies of two-dimensional electron systems

    NARCIS (Netherlands)

    Schaapman, Maaike Ruth

    2004-01-01

    This thesis describes a study of the magnetization two-dimensional electron gases (2DEGs). To detect the typically small magnetization, a sensitive magnetometer with optical angular detection was developed. The magnetometer uses a quadrant detector to measure the rotation of the sample. By mounting

  20. Low-frequency scattering from two-dimensional perfect conductors

    DEFF Research Database (Denmark)

    Hansen, Thorkild; Yaghjian, A.D

    1991-01-01

    Exact expressions have been obtained for the leading terms in the low-frequency expansions of the far fields scattered from three different types of two-dimensional perfect conductors: a cylinder with finite cross section, a cylindrical bump on an infinite ground plane, and a cylindrical dent...

  1. Two-Dimensional Mesoscale-Ordered Conducting Polymers

    NARCIS (Netherlands)

    Liu, Shaohua; Zhang, Jian; Dong, Renhao; Gordiichuk, Pavlo; Zhang, Tao; Zhuang, Xiaodong; Mai, Yiyong; Liu, Feng; Herrmann, Andreas; Feng, Xinliang

    2016-01-01

    Despite the availability of numerous two-dimensional (2D) materials with structural ordering at the atomic or molecular level, direct construction of mesoscale-ordered superstructures within a 2D monolayer remains an enormous challenge. Here, we report the synergic manipulation of two types of assem

  2. Piezoelectricity and Piezomagnetism: Duality in two-dimensional checkerboards

    Science.gov (United States)

    Fel, Leonid G.

    2002-05-01

    The duality approach in two-dimensional two-component regular checkerboards is extended to piezoelectricity and piezomagnetism. The relation between the effective piezoelectric and piezomagnetic moduli is found for a checkerboard with the p6'mm'-plane symmetry group (dichromatic triangle).

  3. Specification of a Two-Dimensional Test Case

    DEFF Research Database (Denmark)

    Nielsen, Peter Vilhelm

    This paper describes the geometry and other boundary conditions for a test case which can be used to test different two-dimensional CFD codes in the lEA Annex 20 work. The given supply opening is large compared with practical openings. Therefore, this geometry will reduce the need for a high number...... of grid points in the wall jet region....

  4. Operator splitting for two-dimensional incompressible fluid equations

    CERN Document Server

    Holden, Helge; Karper, Trygve K

    2011-01-01

    We analyze splitting algorithms for a class of two-dimensional fluid equations, which includes the incompressible Navier-Stokes equations and the surface quasi-geostrophic equation. Our main result is that the Godunov and Strang splitting methods converge with the expected rates provided the initial data are sufficiently regular.

  5. Chaotic dynamics for two-dimensional tent maps

    Science.gov (United States)

    Pumariño, Antonio; Ángel Rodríguez, José; Carles Tatjer, Joan; Vigil, Enrique

    2015-02-01

    For a two-dimensional extension of the classical one-dimensional family of tent maps, we prove the existence of an open set of parameters for which the respective transformation presents a strange attractor with two positive Lyapounov exponents. Moreover, periodic orbits are dense on this attractor and the attractor supports a unique ergodic invariant probability measure.

  6. Divorticity and dihelicity in two-dimensional hydrodynamics

    DEFF Research Database (Denmark)

    Shivamoggi, B.K.; van Heijst, G.J.F.; Juul Rasmussen, Jens

    2010-01-01

    A framework is developed based on the concepts of divorticity B (≡×ω, ω being the vorticity) and dihelicity g (≡vB) for discussing the theoretical structure underlying two-dimensional (2D) hydrodynamics. This formulation leads to the global and Lagrange invariants that could impose significant...

  7. Spin-orbit torques in two-dimensional Rashba ferromagnets

    NARCIS (Netherlands)

    Qaiumzadeh, A.; Duine, R. A.|info:eu-repo/dai/nl/304830127; Titov, M.

    2015-01-01

    Magnetization dynamics in single-domain ferromagnets can be triggered by a charge current if the spin-orbit coupling is sufficiently strong. We apply functional Keldysh theory to investigate spin-orbit torques in metallic two-dimensional Rashba ferromagnets in the presence of spin-dependent

  8. Numerical blowup in two-dimensional Boussinesq equations

    CERN Document Server

    Yin, Zhaohua

    2009-01-01

    In this paper, we perform a three-stage numerical relay to investigate the finite time singularity in the two-dimensional Boussinesq approximation equations. The initial asymmetric condition is the middle-stage output of a $2048^2$ run, the highest resolution in our study is $40960^2$, and some signals of numerical blowup are observed.

  9. Exact two-dimensional superconformal R symmetry and c extremization.

    Science.gov (United States)

    Benini, Francesco; Bobev, Nikolay

    2013-02-08

    We uncover a general principle dubbed c extremization, which determines the exact R symmetry of a two-dimensional unitary superconformal field theory with N=(0,2) supersymmetry. To illustrate its utility, we study superconformal theories obtained by twisted compactifications of four-dimensional N=4 super-Yang-Mills theory on Riemann surfaces and construct their gravity duals.

  10. Zero sound in a two-dimensional dipolar Fermi gas

    NARCIS (Netherlands)

    Lu, Z.K.; Matveenko, S.I.; Shlyapnikov, G.V.

    2013-01-01

    We study zero sound in a weakly interacting two-dimensional (2D) gas of single-component fermionic dipoles (polar molecules or atoms with a large magnetic moment) tilted with respect to the plane of their translational motion. It is shown that the propagation of zero sound is provided by both mean-f

  11. Topology optimization of two-dimensional elastic wave barriers

    DEFF Research Database (Denmark)

    Van Hoorickx, C.; Sigmund, Ole; Schevenels, M.

    2016-01-01

    Topology optimization is a method that optimally distributes material in a given design domain. In this paper, topology optimization is used to design two-dimensional wave barriers embedded in an elastic halfspace. First, harmonic vibration sources are considered, and stiffened material is insert...

  12. Non perturbative methods in two dimensional quantum field theory

    CERN Document Server

    Abdalla, Elcio; Rothe, Klaus D

    1991-01-01

    This book is a survey of methods used in the study of two-dimensional models in quantum field theory as well as applications of these theories in physics. It covers the subject since the first model, studied in the fifties, up to modern developments in string theories, and includes exact solutions, non-perturbative methods of study, and nonlinear sigma models.

  13. Thermodynamics of Two-Dimensional Black-Holes

    OpenAIRE

    Nappi, Chiara R.; Pasquinucci, Andrea

    1992-01-01

    We explore the thermodynamics of a general class of two dimensional dilatonic black-holes. A simple prescription is given that allows us to compute the mass, entropy and thermodynamic potentials, with results in agreement with those obtained by other methods, when available.

  14. Influence of index contrast in two dimensional photonic crystal lasers

    DEFF Research Database (Denmark)

    Jørgensen, Mette Marie; Petersen, Sidsel Rübner; Christiansen, Mads Brøkner;

    2010-01-01

    The influence of index contrast variations for obtaining single-mode operation and low threshold in dye doped polymer two dimensional photonic crystal (PhC) lasers is investigated. We consider lasers made from Pyrromethene 597 doped Ormocore imprinted with a rectangular lattice PhC having a cavit...

  15. Magnetic order in two-dimensional nanoparticle assemblies

    NARCIS (Netherlands)

    Georgescu, M

    2008-01-01

    This thesis involves a fundamental study of two-dimensional arrays of magnetic nanoparticles using non-contact Atomic Force Microscopy, Magnetic Force Microscopy, and Atomic Force Spectroscopy. The goal is to acquire a better understanding of the interactions between magnetic nanoparticles and the

  16. Dynamical phase transitions in the two-dimensional ANNNI model

    Energy Technology Data Exchange (ETDEWEB)

    Barber, M.N.; Derrida, B.

    1988-06-01

    We study the phase diagram of the two-dimensional anisotropic next-nearest neighbor Ising (ANNNI) model by comparing the time evolution of two distinct spin configurations submitted to the same thermal noise. We clearly se several dynamical transitions between ferromagnetic, paramagnetic, antiphase, and floating phases. These dynamical transitions seem to occur rather close to the transition lines determined previously in the literature.

  17. Two-dimensional static black holes with pointlike sources

    CERN Document Server

    Melis, M

    2004-01-01

    We study the static black hole solutions of generalized two-dimensional dilaton-gravity theories generated by pointlike mass sources, in the hypothesis that the matter is conformally coupled. We also discuss the motion of test particles. Due to conformal coupling, these follow the geodesics of a metric obtained by rescaling the canonical metric with the dilaton.

  18. Magnetic order in two-dimensional nanoparticle assemblies

    NARCIS (Netherlands)

    Georgescu, M

    2008-01-01

    This thesis involves a fundamental study of two-dimensional arrays of magnetic nanoparticles using non-contact Atomic Force Microscopy, Magnetic Force Microscopy, and Atomic Force Spectroscopy. The goal is to acquire a better understanding of the interactions between magnetic nanoparticles and the r

  19. Two-Dimensional Chirality in Three-Dimensional Chemistry.

    Science.gov (United States)

    Wintner, Claude E.

    1983-01-01

    The concept of two-dimensional chirality is used to enhance students' understanding of three-dimensional stereochemistry. This chirality is used as a key to teaching/understanding such concepts as enaniotropism, diastereotopism, pseudoasymmetry, retention/inversion of configuration, and stereochemical results of addition to double bonds. (JN)

  20. Field analysis of two-dimensional focusing grating

    NARCIS (Netherlands)

    Borsboom, P.P.; Frankena, H.J.

    1995-01-01

    The method that we have developed [P-P. Borsboom, Ph.D. dissertation (Delft University of Technology, Delft, The Netherlands); P-P. Borsboom and H. J. Frankena, J. Opt. Soc. Am. A 12, 1134–1141 (1995)] is successfully applied to a two-dimensional focusing grating coupler. The field in the focal regi

  1. Torque magnetometry studies of two-dimensional electron systems

    NARCIS (Netherlands)

    Schaapman, Maaike Ruth

    2004-01-01

    This thesis describes a study of the magnetization two-dimensional electron gases (2DEGs). To detect the typically small magnetization, a sensitive magnetometer with optical angular detection was developed. The magnetometer uses a quadrant detector to measure the rotation of the sample. By mounting

  2. Two-Dimensional Mesoscale-Ordered Conducting Polymers

    NARCIS (Netherlands)

    Liu, Shaohua; Zhang, Jian; Dong, Renhao; Gordiichuk, Pavlo; Zhang, Tao; Zhuang, Xiaodong; Mai, Yiyong; Liu, Feng; Herrmann, Andreas; Feng, Xinliang

    2016-01-01

    Despite the availability of numerous two-dimensional (2D) materials with structural ordering at the atomic or molecular level, direct construction of mesoscale-ordered superstructures within a 2D monolayer remains an enormous challenge. Here, we report the synergic manipulation of two types of

  3. Vibrations of Thin Piezoelectric Shallow Shells: Two-Dimensional Approximation

    Indian Academy of Sciences (India)

    N Sabu

    2003-08-01

    In this paper we consider the eigenvalue problem for piezoelectric shallow shells and we show that, as the thickness of the shell goes to zero, the eigensolutions of the three-dimensional piezoelectric shells converge to the eigensolutions of a two-dimensional eigenvalue problem.

  4. Two-dimensional effects in nonlinear Kronig-Penney models

    DEFF Research Database (Denmark)

    Gaididei, Yuri Borisovich; Christiansen, Peter Leth; Rasmussen, Kim

    1997-01-01

    An analysis of two-dimensional (2D) effects in the nonlinear Kronig-Penney model is presented. We establish an effective one-dimensional description of the 2D effects, resulting in a set of pseudodifferential equations. The stationary states of the 2D system and their stability is studied...

  5. Forensic potential of comprehensive two-dimensional gas chromatography

    NARCIS (Netherlands)

    Sampat, A.; Lopatka, M.; Sjerps, M.; Vivo-Truyols, G.; Schoenmakers, P.; van Asten, A.

    2016-01-01

    In this study, the application of comprehensive two-dimensional (2D) gas chromatography (GC × GC) in forensic science is reviewed. The peer-reviewed publications on the forensic use of GC × GC and 2D gas chromatography with mass spectrometric detection (GC × GC-MS) have been studied in detail, not o

  6. Easy interpretation of optical two-dimensional correlation spectra

    NARCIS (Netherlands)

    Lazonder, K.; Pshenichnikov, M.S.; Wiersma, D.A.

    2006-01-01

    We demonstrate that the value of the underlying frequency-frequency correlation function can be retrieved from a two-dimensional optical correlation spectrum through a simple relationship. The proposed method yields both intuitive clues and a quantitative measure of the dynamics of the system. The t

  7. Two Dimensional F(R) Horava-Lifshitz Gravity

    CERN Document Server

    Kluson, J

    2016-01-01

    We study two-dimensional F(R) Horava-Lifshitz gravity from the Hamiltonian point of view. We determine constraints structure with emphasis on the careful separation of the second class constraints and global first class constraints. We determine number of physical degrees of freedom and also discuss gauge fixing of the global first class constraints.

  8. Localization of Tight Closure in Two-Dimensional Rings

    Indian Academy of Sciences (India)

    Kamran Divaani-Aazar; Massoud Tousi

    2005-02-01

    It is shown that tight closure commutes with localization in any two-dimensional ring of prime characteristic if either is a Nagata ring or possesses a weak test element. Moreover, it is proved that tight closure commutes with localization at height one prime ideals in any ring of prime characteristic.

  9. Cryptanalysis of the Two-Dimensional Circulation Encryption Algorithm

    Directory of Open Access Journals (Sweden)

    Bart Preneel

    2005-07-01

    Full Text Available We analyze the security of the two-dimensional circulation encryption algorithm (TDCEA, recently published by Chen et al. in this journal. We show that there are several flaws in the algorithm and describe some attacks. We also address performance issues in current cryptographic designs.

  10. New directions in science and technology: two-dimensional crystals

    Energy Technology Data Exchange (ETDEWEB)

    Neto, A H Castro [Graphene Research Centre, National University of Singapore, 2 Science Drive 3, Singapore 117542 (Singapore); Novoselov, K, E-mail: phycastr@nus.edu.sg, E-mail: konstantin.novoselov@manchester.ac.uk [School of Physics and Astronomy, University of Manchester, Oxford Road, Manchester, M13 9PL (United Kingdom)

    2011-08-15

    Graphene is possibly one of the largest and fastest growing fields in condensed matter research. However, graphene is only one example in a large class of two-dimensional crystals with unusual properties. In this paper we briefly review the properties of graphene and look at the exciting possibilities that lie ahead.

  11. Boundary-value problems for two-dimensional canonical systems

    NARCIS (Netherlands)

    Hassi, Seppo; De Snoo, H; Winkler, Henrik

    2000-01-01

    The two-dimensional canonical system Jy' = -lHy where the nonnegative Hamiltonian matrix function H(x) is trace-normed on (0,∞) has been studied in a function-theoretic way by L. de Branges. We show that the Hamiltonian system induces a closed symmetric relation which can be reduced to a, not necess

  12. On the continua in two-dimensional nonadiabatic magnetohydrodynamic spectra

    NARCIS (Netherlands)

    De Ploey, A.; Van der Linden, R. A. M.; Belien, A. J. C.

    2000-01-01

    The equations for the continuous subspectra of the linear magnetohydrodynamic (MHD) normal modes spectrum of two-dimensional (2D) plasmas are derived in general curvilinear coordinates, taking nonadiabatic effects in the energy equation into account. Previously published derivations of continuous sp

  13. Dislocation climb in two-dimensional discrete dislocation dynamics

    NARCIS (Netherlands)

    Davoudi, K.M.; Nicola, L.; Vlassak, J.J.

    2012-01-01

    In this paper, dislocation climb is incorporated in a two-dimensional discrete dislocation dynamics model. Calculations are carried out for polycrystalline thin films, passivated on one or both surfaces. Climb allows dislocations to escape from dislocation pile-ups and reduces the strain-hardening r

  14. SAR Processing Based On Two-Dimensional Transfer Function

    Science.gov (United States)

    Chang, Chi-Yung; Jin, Michael Y.; Curlander, John C.

    1994-01-01

    Exact transfer function, ETF, is two-dimensional transfer function that constitutes basis of improved frequency-domain-convolution algorithm for processing synthetic-aperture-radar, SAR data. ETF incorporates terms that account for Doppler effect of motion of radar relative to scanned ground area and for antenna squint angle. Algorithm based on ETF outperforms others.

  15. Sound waves in two-dimensional ducts with sinusoidal walls

    Science.gov (United States)

    Nayfeh, A. H.

    1974-01-01

    The method of multiple scales is used to analyze the wave propagation in two-dimensional hard-walled ducts with sinusoidal walls. For traveling waves, resonance occurs whenever the wall wavenumber is equal to the difference of the wavenumbers of any two duct acoustic modes. The results show that neither of these resonating modes could occur without strongly generating the other.

  16. Confined two-dimensional fermions at finite density

    CERN Document Server

    De Francia, M; Loewe, M; Santangelo, E M; De Francia, M; Falomir, H; Loewe, M; Santangelo, E M

    1995-01-01

    We introduce the chemical potential in a system of two-dimensional massless fermions, confined to a finite region, by imposing twisted boundary conditions in the Euclidean time direction. We explore in this simple model the application of functional techniques which could be used in more complicated situations.

  17. Imperfect two-dimensional topological insulator field-effect transistors

    Science.gov (United States)

    Vandenberghe, William G.; Fischetti, Massimo V.

    2017-01-01

    To overcome the challenge of using two-dimensional materials for nanoelectronic devices, we propose two-dimensional topological insulator field-effect transistors that switch based on the modulation of scattering. We model transistors made of two-dimensional topological insulator ribbons accounting for scattering with phonons and imperfections. In the on-state, the Fermi level lies in the bulk bandgap and the electrons travel ballistically through the topologically protected edge states even in the presence of imperfections. In the off-state the Fermi level moves into the bandgap and electrons suffer from severe back-scattering. An off-current more than two-orders below the on-current is demonstrated and a high on-current is maintained even in the presence of imperfections. At low drain-source bias, the output characteristics are like those of conventional field-effect transistors, at large drain-source bias negative differential resistance is revealed. Complementary n- and p-type devices can be made enabling high-performance and low-power electronic circuits using imperfect two-dimensional topological insulators. PMID:28106059

  18. Bounds on the capacity of constrained two-dimensional codes

    DEFF Research Database (Denmark)

    Forchhammer, Søren; Justesen, Jørn

    2000-01-01

    Bounds on the capacity of constrained two-dimensional (2-D) codes are presented. The bounds of Calkin and Wilf apply to first-order symmetric constraints. The bounds are generalized in a weaker form to higher order and nonsymmetric constraints. Results are given for constraints specified by run...

  19. Miniature sensor for two-dimensional magnetic field distributions

    NARCIS (Netherlands)

    Fluitman, J.H.J.; Krabbe, H.W.

    1972-01-01

    Describes a simple method of production of a sensor for two-dimensional magnetic field distributions. The sensor consists of a strip of Ni-Fe(81-19), of which the magnetoresistance is utilized. Typical dimensions of the strip, placed at the edge of a glass substrate, are: length 100 mu m, width 2 or

  20. Forensic potential of comprehensive two-dimensional gas chromatography

    NARCIS (Netherlands)

    Sampat, A.; Lopatka, M.; Sjerps, M.; Vivo-Truyols, G.; Schoenmakers, P.; van Asten, A.

    2016-01-01

    In this study, the application of comprehensive two-dimensional (2D) gas chromatography (GC × GC) in forensic science is reviewed. The peer-reviewed publications on the forensic use of GC × GC and 2D gas chromatography with mass spectrometric detection (GC × GC-MS) have been studied in detail, not o

  1. Spontaneous emission in two-dimensional photonic crystal microcavities

    DEFF Research Database (Denmark)

    Søndergaard, Thomas

    2000-01-01

    The properties of the radiation field in a two-dimensional photonic crystal with and without a microcavity introduced are investigated through the concept of the position-dependent photon density of states. The position-dependent rate of spontaneous radiative decay for a two-level atom with random...

  2. Linkage analysis by two-dimensional DNA typing

    NARCIS (Netherlands)

    te Meerman, G J; Mullaart, E; van der Meulen, M A; den Daas, J H; Morolli, B; Uitterlinden, A G; Vijg, J

    1993-01-01

    In two-dimensional (2-D) DNA typing, genomic DNA fragments are separated, first according to size by electrophoresis in a neutral polyacrylamide gel and second according to sequence by denaturing gradient gel electrophoresis, followed by hybridization analysis using micro- and minisatellite core pro

  3. Two-dimensional manifold with point-like defects

    CERN Document Server

    Gani, Vakhid A; Rubin, Sergei G

    2014-01-01

    We study a class of two-dimensional extra spaces isomorphic to the $S^2$ sphere in the framework of the multidimensional gravitation. We show that there exists a family of stationary metrics that depend on the initial (boundary) conditions. All these geometries have a singular point. We also discuss the possibility for these deformed extra spaces to be considered as dark matter candidates.

  4. Instability of two-dimensional heterotic stringy black holes

    CERN Document Server

    Azreg-Ainou, M

    1999-01-01

    We solve the eigenvalue problem of general relativity for the case of charged black holes in two-dimensional heterotic string theory, derived by McGuigan et al. For the case of $m^{2}>q^{2}$, we find a physically acceptable time-dependent growing mode; thus the black hole is unstable. The extremal case $m^{2}=q^{2}$ is stable.

  5. Influence of disorder and magnetic field on conductance of “sandwich” type two dimensional system

    Directory of Open Access Journals (Sweden)

    Long LIU

    2017-04-01

    Full Text Available In order to discuss the transport phenomena and the physical properties of the doping of the disorder system under magnetic field, the electron transport in a two-dimensional system is studied by using Green function and scattering matrix theory. Base on the two-dimensional lattice model, the phenomenon of quantized conductance of the "sandwich" type electronic system is analyzed. The contact between the lead and the scatterer reduce the system's conductance, and whittle down the quantum conductance stair-stepping phenomenon; when an external magnetic field acts on to the system, the conductance presents a periodicity oscillation with the magnetic field. The intensity of this oscillation is related to the energy of the electron;with the increase of the impurity concentration, the conductance decreases.In some special doping concentration, the conductance of the system can reach the ideal step value corresponding to some special electron energy. The result could provide reference for further study of the conductance of the "sandwich" type two dimensional system.

  6. Two Dimensional Tensor Product B-Spline Wavelet Scaling Functions for the Solution of Two-Dimensional Unsteady Diffusion Equations

    Institute of Scientific and Technical Information of China (English)

    XIONG Lei; LI haijiao; ZHANG Lewen

    2008-01-01

    The fourth-order B spline wavelet scaling functions are used to solve the two-dimensional unsteady diffusion equation. The calculations from a case history indicate that the method provides high accuracy and the computational efficiency is enhanced due to the small matrix derived from this method.The respective features of 3-spline wavelet scaling functions, 4-spline wavelet scaling functions and quasi-wavelet used to solve the two-dimensional unsteady diffusion equation are compared. The proposed method has potential applications in many fields including marine science.

  7. Reactive Transport Models with Geomechanics to Mitigate Risks of CO2 Utilization and Storage

    Energy Technology Data Exchange (ETDEWEB)

    Deo, Milind [Univ. of Utah, Salt Lake City, UT (United States); Huang, Hai [Univ. of Utah, Salt Lake City, UT (United States); Kweon, Hyukmin [Univ. of Utah, Salt Lake City, UT (United States); Guo, Luanjing [Univ. of Utah, Salt Lake City, UT (United States)

    2016-03-28

    Reactivity of carbon dioxide (CO2), rocks and brine is important in a number of practical situations in carbon dioxide sequestration. Injectivity of CO2 will be affected by near wellbore dissolution or precipitation. Natural fractures or faults containing specific minerals may reactivate leading to induced seismicity. In this project, we first examined if the reactions between CO2, brine and rocks affect the nature of the porous medium and properties including petrophysical properties in the timeframe of the injection operations. This was done by carrying out experiments at sequestration conditions (2000 psi for corefloods and 2400 psi for batch experiments, and 600°C) with three different types of rocks – sandstone, limestone and dolomite. Experiments were performed in batch mode and corefloods were conducted over a two-week period. Batch experiments were performed with samples of differing surface area to understand the impact of surface area on overall reaction rates. Toughreact, a reactive transport model was used to interpret and understand the experimental results. The role of iron in dissolution and precipitation reactions was observed to be significant. Iron containing minerals – siderite and ankerite dissolved resulting in changes in porosity and permeability. Corefloods and batch experiments revealed similar patterns. With the right cationic balance, there is a possibility of precipitation of iron bearing carbonates. The results indicate that during injection operations mineralogical changes may lead to injectivity enhancements near the wellbore and petrophysical changes elsewhere in the system. Limestone and dolomite cores showed consistent dissolution at the entrance of the core. The dissolution led to formation of wormholes and interconnected dissolution zones. Results indicate that near wellbore dissolution in these rock-types may lead to rock failure. Micro-CT images of the cores before and after the experiments

  8. Reactive Transport and Coupled THM Processes in Engineering Barrier Systems (EBS)

    Energy Technology Data Exchange (ETDEWEB)

    Steefel, Carl; Rutqvist, Jonny; Tsang, Chin-Fu; Liu, Hui-Hai; Sonnenthal, Eric; Houseworth, Jim; Birkholzer, Jens

    2010-08-31

    Geological repositories for disposal of high-level nuclear wastes generally rely on a multi-barrier system to isolate radioactive wastes from the biosphere. The multi-barrier system typically consists of a natural barrier system, including repository host rock and its surrounding subsurface environment, and an engineering barrier system (EBS). EBS represents the man-made, engineered materials placed within a repository, including the waste form, waste canisters, buffer materials, backfill and seals (OECD, 2003). EBS plays a significant role in the containment and long-term retardation of radionuclide release. EBS is involved in complex thermal, hydrogeological, mechanical, chemical and biological processes, such as heat release due to radionuclide decay, multiphase flow (including gas release due to canister corrosion), swelling of buffer materials, radionuclide diffusive transport, waste dissolution and chemical reactions. All these processes are related to each other. An in-depth understanding of these coupled processes is critical for the performance assessment (PA) for EBS and the entire repository. Within the EBS group of Used Fuel Disposition (UFD) Campaign, LBNL is currently focused on (1) thermal-hydraulic-mechanical-chemical (THMC) processes in buffer materials (bentonite) and (2) diffusive transport in EBS associated with clay host rock, with a long-term goal to develop a full understanding of (and needed modeling capabilities to simulate) impacts of coupled processes on radionuclide transport in different components of EBS, as well as the interaction between near-field host rock (e.g., clay) and EBS and how they effect radionuclide release. This final report documents the progress that LBNL has made in its focus areas. Specifically, Section 2 summarizes progress on literature review for THMC processes and reactive-diffusive radionuclide transport in bentonite. The literature review provides a picture of the state-of-the-art of the relevant research areas

  9. Novel effects of strains in graphene and other two dimensional materials

    Science.gov (United States)

    Amorim, B.; Cortijo, A.; de Juan, F.; Grushin, A. G.; Guinea, F.; Gutiérrez-Rubio, A.; Ochoa, H.; Parente, V.; Roldán, R.; San-Jose, P.; Schiefele, J.; Sturla, M.; Vozmediano, M. A. H.

    2016-03-01

    The analysis of the electronic properties of strained or lattice deformed graphene combines ideas from classical condensed matter physics, soft matter, and geometrical aspects of quantum field theory (QFT) in curved spaces. Recent theoretical and experimental work shows the influence of strains in many properties of graphene not considered before, such as electronic transport, spin-orbit coupling, the formation of Moiré patterns and optics. There is also significant evidence of anharmonic effects, which can modify the structural properties of graphene. These phenomena are not restricted to graphene, and they are being intensively studied in other two dimensional materials, such as the transition metal dichalcogenides. We review here recent developments related to the role of strains in the structural and electronic properties of graphene and other two dimensional compounds.

  10. Novel effects of strains in graphene and other two dimensional materials

    Energy Technology Data Exchange (ETDEWEB)

    Amorim, B., E-mail: amorim.bac@icmm.csic.es [Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, E-28049 Madrid (Spain); Department of Physics and Center of Physics, University of Minho, P-4710-057, Braga (Portugal); Cortijo, A. [Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, E-28049 Madrid (Spain); Juan, F. de [Materials Science Division, Lawrence Berkeley National Laboratories, Berkeley, CA 94720 (United States); Department of Physics, University of California, Berkeley, CA 94720 (United States); Grushin, A.G. [Max-Planck-Institut fur Physik komplexer Systeme, 01187 Dresden (Germany); Guinea, F. [School of Physics and Astronomy, University of Manchester, Oxford Road, Manchester M13 9PL (United Kingdom); IMDEA Nanociencia Calle de Faraday, 9, Cantoblanco, 28049, Madrid (Spain); Donostia International Physics Center (DIPC), 20018 San Sebastián (Spain); Gutiérrez-Rubio, A. [Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, E-28049 Madrid (Spain); Ochoa, H. [Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, E-28049 Madrid (Spain); Donostia International Physics Center (DIPC), 20018 San Sebastián (Spain); Parente, V. [Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, E-28049 Madrid (Spain); IMDEA Nanociencia Calle de Faraday, 9, Cantoblanco, 28049, Madrid (Spain); Roldán, R.; San-Jose, P.; Schiefele, J. [Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, E-28049 Madrid (Spain); Sturla, M. [IFLP-CONICET. Departamento de Física, Universidad Nacional de La Plata, (1900) La Plata (Argentina); Vozmediano, M.A.H. [Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, E-28049 Madrid (Spain)

    2016-03-03

    The analysis of the electronic properties of strained or lattice deformed graphene combines ideas from classical condensed matter physics, soft matter, and geometrical aspects of quantum field theory (QFT) in curved spaces. Recent theoretical and experimental work shows the influence of strains in many properties of graphene not considered before, such as electronic transport, spin–orbit coupling, the formation of Moiré patterns and optics. There is also significant evidence of anharmonic effects, which can modify the structural properties of graphene. These phenomena are not restricted to graphene, and they are being intensively studied in other two dimensional materials, such as the transition metal dichalcogenides. We review here recent developments related to the role of strains in the structural and electronic properties of graphene and other two dimensional compounds.

  11. Quantum Hall effect in black phosphorus two-dimensional electron system.

    Science.gov (United States)

    Li, Likai; Yang, Fangyuan; Ye, Guo Jun; Zhang, Zuocheng; Zhu, Zengwei; Lou, Wenkai; Zhou, Xiaoying; Li, Liang; Watanabe, Kenji; Taniguchi, Takashi; Chang, Kai; Wang, Yayu; Chen, Xian Hui; Zhang, Yuanbo

    2016-07-01

    The development of new, high-quality functional materials has been at the forefront of condensed-matter research. The recent advent of two-dimensional black phosphorus has greatly enriched the materials base of two-dimensional electron systems (2DESs). Here, we report the observation of the integer quantum Hall effect in a high-quality black phosphorus 2DES. The high quality is achieved by embedding the black phosphorus 2DES in a van der Waals heterostructure close to a graphite back gate; the graphite gate screens the impurity potential in the 2DES and brings the carrier Hall mobility up to 6,000 cm(2) V(-1) s(-1). The exceptional mobility enabled us to observe the quantum Hall effect and to gain important information on the energetics of the spin-split Landau levels in black phosphorus. Our results set the stage for further study on quantum transport and device application in the ultrahigh mobility regime.

  12. Imaging geochemical heterogeneities using inverse reactive transport modeling: An example relevant for characterizing arsenic mobilization and distribution

    DEFF Research Database (Denmark)

    Fakhreddine, Sarah; Lee, Jonghyun; Kitanidis, Peter K.

    2016-01-01

    -bearing reactive minerals as aquifer contaminants. We use synthetic applications to demonstrate the ability of inverse modeling techniques combined with mechanistic reactive transport models to image reactive mineral lenses in the subsurface and quantify estimation error using indirect, commonly measured...... such as managed aquifer recharge and recovery operations. The modeling investigation is carried out at various scales and considers different flow-through domains including (i) a ID lab-scale column (SO cm), (ii) a 2D lab-scale setup (60 cm x 30 cm) and (iii) a 2D field scale domain (20 nix 4 m). In these setups......, synthetic dissolved oxygen data and forward reactive transport simulations are used to image the spatial distribution of As-bearing pyrite using the Principal Component Geostatistical Approach (PCGA) for inverse modeling. (C) 2015 Elsevier Ltd. All rights reserved....

  13. Reactive transport modelling of a high-pH infiltration test in concrete

    Science.gov (United States)

    Chaparro, M. Carme; Soler, Josep M.; Saaltink, Maarten W.; Mäder, Urs K.

    2017-06-01

    A laboratory-scale tracer test was carried out to characterize the transport properties of concrete from the Radioactive Waste Disposal Facility at El Cabril (Spain). A hyperalkaline solution (K-Ca-OH, pH = 13.2) was injected into a concrete sample under a high entry pressure in order to perform the experiment within a reasonable time span, obtaining a decrease of permeability by a factor of 1000. The concentrations of the tracers, major elements (Ca2+, SO4 2 - , K+ and Na+) and pH were measured at the outlet of the concrete sample. A reactive transport model was built based on a double porosity conceptual model, which considers diffusion between a mobile zone, where water can flow, and an immobile zone without any advective transport. The numerical model assumed that all reactions took place in the immobile zone. The cement paste consists of C-S-H gel, portlandite, ettringite, calcite and gypsum, together with residual alite and belite. Two different models were compared, one with portlandite in equilibrium (high initial surface area) and another one with portlandite reaction controlled by kinetics (low initial surface area). Overall the results show dissolution of alite, belite, gypsum, quartz, C-S-H gel and ettringite and precipitation of portlandite and calcite. Permeability could have decreased due to mineral precipitation.

  14. Geophysical monitoring and reactive transport modeling of ureolytically-driven calcium carbonate precipitation

    Directory of Open Access Journals (Sweden)

    Taylor Joanna

    2011-09-01

    Full Text Available Abstract Ureolytically-driven calcium carbonate precipitation is the basis for a promising in-situ remediation method for sequestration of divalent radionuclide and trace metal ions. It has also been proposed for use in geotechnical engineering for soil strengthening applications. Monitoring the occurrence, spatial distribution, and temporal evolution of calcium carbonate precipitation in the subsurface is critical for evaluating the performance of this technology and for developing the predictive models needed for engineering application. In this study, we conducted laboratory column experiments using natural sediment and groundwater to evaluate the utility of geophysical (complex resistivity and seismic sensing methods, dynamic synchrotron x-ray computed tomography (micro-CT, and reactive transport modeling for tracking ureolytically-driven calcium carbonate precipitation processes under site relevant conditions. Reactive transport modeling with TOUGHREACT successfully simulated the changes of the major chemical components during urea hydrolysis. Even at the relatively low level of urea hydrolysis observed in the experiments, the simulations predicted an enhanced calcium carbonate precipitation rate that was 3-4 times greater than the baseline level. Reactive transport modeling results, geophysical monitoring data and micro-CT imaging correlated well with reaction processes validated by geochemical data. In particular, increases in ionic strength of the pore fluid during urea hydrolysis predicted by geochemical modeling were successfully captured by electrical conductivity measurements and confirmed by geochemical data. The low level of urea hydrolysis and calcium carbonate precipitation suggested by the model and geochemical data was corroborated by minor changes in seismic P-wave velocity measurements and micro-CT imaging; the latter provided direct evidence of sparsely distributed calcium carbonate precipitation. Ion exchange processes

  15. Geophysical monitoring and reactive transport modeling of ureolytically-driven calcium carbonate precipitation

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Y.; Ajo-Franklin, J.B.; Spycher, N.; Hubbard, S.S.; Zhang, G.; Williams, K.H.; Taylor, J.; Fujita, Y.; Smith, R.

    2011-07-15

    Ureolytically-driven calcium carbonate precipitation is the basis for a promising in-situ remediation method for sequestration of divalent radionuclide and trace metal ions. It has also been proposed for use in geotechnical engineering for soil strengthening applications. Monitoring the occurrence, spatial distribution, and temporal evolution of calcium carbonate precipitation in the subsurface is critical for evaluating the performance of this technology and for developing the predictive models needed for engineering application. In this study, we conducted laboratory column experiments using natural sediment and groundwater to evaluate the utility of geophysical (complex resistivity and seismic) sensing methods, dynamic synchrotron x-ray computed tomography (micro-CT), and reactive transport modeling for tracking ureolytically-driven calcium carbonate precipitation processes under site relevant conditions. Reactive transport modeling with TOUGHREACT successfully simulated the changes of the major chemical components during urea hydrolysis. Even at the relatively low level of urea hydrolysis observed in the experiments, the simulations predicted an enhanced calcium carbonate precipitation rate that was 3-4 times greater than the baseline level. Reactive transport modeling results, geophysical monitoring data and micro-CT imaging correlated well with reaction processes validated by geochemical data. In particular, increases in ionic strength of the pore fluid during urea hydrolysis predicted by geochemical modeling were successfully captured by electrical conductivity measurements and confirmed by geochemical data. The low level of urea hydrolysis and calcium carbonate precipitation suggested by the model and geochemical data was corroborated by minor changes in seismic P-wave velocity measurements and micro-CT imaging; the latter provided direct evidence of sparsely distributed calcium carbonate precipitation. Ion exchange processes promoted through NH{sub 4}{sup

  16. Are reactive transport models reliable tools for reconstructing historical contamination scenarios?

    Science.gov (United States)

    Clement, P.

    2009-12-01

    This presentation will be based on a recent project effort that I completed while serving as a member of National Academy of Sciences and Engineering panel. The primary goal of this congressionally-mandated project effort was to review scientific evidence on the association between adverse health effect s and exposure to a contaminated water supply system at the U.S. Marine Corps Base Camp Lejeune (CLJ) in North Carolina. The detailed NRC study report was released in June 2009, and is available at this NRC weblink: http://www.nap.edu/catalog.php?record_id=12618. Multiple water supply systems at this Marine Base were contaminated with harmful chemicals, such as PCE, TCE and other waste products, since the early 50s. In 1982, a routine water quality survey completed at the site indicated the presence of several volatile organic compounds including PCE and TCE. Further investigations revealed that there are several waste disposal facilities located on-site that have discharged TCE and other waste products into groundwater systems. In addition, there was also an off-site dry cleaning facility located close to the Tarawa Terrace in-take well locations that disposed PCE into the subsurface environment. The dry cleaner has been using PCE since 1953 and disposed various forms of PCE-contaminated wastes in a septic tank and in several shallow pits. Therefore, the residents who lived in Tarawa Terrace on-site family housing units had the potential to be exposed to these harmful environmental contaminants through the drinking water source. In late 1980s, the concerns raised by CLJ public lead to an epidemiological study to evaluate the potential associations of utero and infant exposures to the VOCs and childhood cancers and birth defects. The study included births occurring during the period of 1968-1985 to women who were pregnant while they resided at the base. Since there was no monitoring data available for the study period (1968-1982), researchers used reactive transport

  17. Geophysical monitoring and reactive transport modeling of ureolytically-driven calcium carbonate precipitation.

    Science.gov (United States)

    Wu, Yuxin; Ajo-Franklin, Jonathan B; Spycher, Nicolas; Hubbard, Susan S; Zhang, Guoxiang; Williams, Kenneth H; Taylor, Joanna; Fujita, Yoshiko; Smith, Robert

    2011-09-23

    Ureolytically-driven calcium carbonate precipitation is the basis for a promising in-situ remediation method for sequestration of divalent radionuclide and trace metal ions. It has also been proposed for use in geotechnical engineering for soil strengthening applications. Monitoring the occurrence, spatial distribution, and temporal evolution of calcium carbonate precipitation in the subsurface is critical for evaluating the performance of this technology and for developing the predictive models needed for engineering application. In this study, we conducted laboratory column experiments using natural sediment and groundwater to evaluate the utility of geophysical (complex resistivity and seismic) sensing methods, dynamic synchrotron x-ray computed tomography (micro-CT), and reactive transport modeling for tracking ureolytically-driven calcium carbonate precipitation processes under site relevant conditions. Reactive transport modeling with TOUGHREACT successfully simulated the changes of the major chemical components during urea hydrolysis. Even at the relatively low level of urea hydrolysis observed in the experiments, the simulations predicted an enhanced calcium carbonate precipitation rate that was 3-4 times greater than the baseline level. Reactive transport modeling results, geophysical monitoring data and micro-CT imaging correlated well with reaction processes validated by geochemical data. In particular, increases in ionic strength of the pore fluid during urea hydrolysis predicted by geochemical modeling were successfully captured by electrical conductivity measurements and confirmed by geochemical data. The low level of urea hydrolysis and calcium carbonate precipitation suggested by the model and geochemical data was corroborated by minor changes in seismic P-wave velocity measurements and micro-CT imaging; the latter provided direct evidence of sparsely distributed calcium carbonate precipitation. Ion exchange processes promoted through NH4

  18. Data preprocessing for parameter estimation. An application to a reactive bimolecular transport model

    CERN Document Server

    Cuch, Daniel A; Hasi, Claudio D El

    2015-01-01

    In this work we are concerned with the inverse problem of the estimation of modeling parameters for a reactive bimolecular transport based on experimental data that is non-uniformly distributed along the interval where the process takes place. We proposed a methodology that can help to determine the intervals where most of the data should be taken in order to obtain a good estimation of the parameters. For the purpose of reducing the cost of laboratory experiments, we propose to simulate data where is needed and it is not available, a PreProcesing Data Fitting (PPDF).We applied this strategy on the estimation of parameters for an advection-diffusion-reaction problem in a porous media. Each step is explained in detail and simulation results are shown and compared with previous ones.

  19. Reactive transport modelling of biogeochemical processes and carbon isotope geochemistry inside a landfill leachate plume.

    Science.gov (United States)

    van Breukelen, Boris M; Griffioen, Jasper; Röling, Wilfred F M; van Verseveld, Henk W

    2004-06-01

    The biogeochemical processes governing leachate attenuation inside a landfill leachate plume (Banisveld, the Netherlands) were revealed and quantified using the 1D reactive transport model PHREEQC-2. Biodegradation of dissolved organic carbon (DOC) was simulated assuming first-order oxidation of two DOC fractions with different reactivity, and was coupled to reductive dissolution of iron oxide. The following secondary geochemical processes were required in the model to match observations: kinetic precipitation of calcite and siderite, cation exchange, proton buffering and degassing. Rate constants for DOC oxidation and carbonate mineral precipitation were determined, and other model parameters were optimized using the nonlinear optimization program PEST by means of matching hydrochemical observations closely (pH, DIC, DOC, Na, K, Ca, Mg, NH4, Fe(II), SO4, Cl, CH4, saturation index of calcite and siderite). The modelling demonstrated the relevance and impact of various secondary geochemical processes on leachate plume evolution. Concomitant precipitation of siderite masked the act of iron reduction. Cation exchange resulted in release of Fe(II) from the pristine anaerobic aquifer to the leachate. Degassing, triggered by elevated CO2 pressures caused by carbonate precipitation and proton buffering at the front of the plume, explained the observed downstream decrease in methane concentration. Simulation of the carbon isotope geochemistry independently supported the proposed reaction network.

  20. Murine Glut-1 transporter haploinsufficiency: postnatal deceleration of brain weight and reactive astrocytosis.

    Science.gov (United States)

    Ullner, Paivi M; Di Nardo, Alessia; Goldman, James E; Schobel, Scott; Yang, Hong; Engelstad, Kristin; Wang, Dong; Sahin, Mustafa; De Vivo, Darryl C

    2009-10-01

    Glucose transporter type 1 (Glut-1) facilitates glucose flux across the blood-brain-barrier. In humans, Glut-1 deficiency causes acquired microcephaly, seizures and ataxia, which are recapitulated in our Glut-1 haploinsufficient mouse model. Postnatal brain weight deceleration and development of reactive astrogliosis were significant by P21 in Glut-1(+/-) mice. The brain weight differences remained constant after P21 whereas the reactive astrocytosis continued to increase and peaked at P90. Brain immunoblots showed increased phospho-mTOR and decreased phospho-GSK3-beta by P14. After fasting, the mature Glut-1(+/-) females showed a trend towards elevated phospho-GSK3-beta, a possible neuroprotective response. Lithium chloride treatment of human skin fibroblasts from control and Glut-1 DS patients produced a 45% increase in glucose uptake. Brain imaging of mature Glut-1(+/-) mice revealed a significantly decreased hippocampal volume. These subtle immunochemical changes reflect chronic nutrient deficiency during brain development and represent the experimental correlates to the human neurological phenotype associated with Glut-1 DS.