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Sample records for integral hybrid monte

  1. Compressible generalized hybrid Monte Carlo

    NASA Astrophysics Data System (ADS)

    Fang, Youhan; Sanz-Serna, J. M.; Skeel, Robert D.

    2014-05-01

    One of the most demanding calculations is to generate random samples from a specified probability distribution (usually with an unknown normalizing prefactor) in a high-dimensional configuration space. One often has to resort to using a Markov chain Monte Carlo method, which converges only in the limit to the prescribed distribution. Such methods typically inch through configuration space step by step, with acceptance of a step based on a Metropolis(-Hastings) criterion. An acceptance rate of 100% is possible in principle by embedding configuration space in a higher dimensional phase space and using ordinary differential equations. In practice, numerical integrators must be used, lowering the acceptance rate. This is the essence of hybrid Monte Carlo methods. Presented is a general framework for constructing such methods under relaxed conditions: the only geometric property needed is (weakened) reversibility; volume preservation is not needed. The possibilities are illustrated by deriving a couple of explicit hybrid Monte Carlo methods, one based on barrier-lowering variable-metric dynamics and another based on isokinetic dynamics.

  2. Variational path integral molecular dynamics and hybrid Monte Carlo algorithms using a fourth order propagator with applications to molecular systems.

    PubMed

    Kamibayashi, Yuki; Miura, Shinichi

    2016-08-21

    In the present study, variational path integral molecular dynamics and associated hybrid Monte Carlo (HMC) methods have been developed on the basis of a fourth order approximation of a density operator. To reveal various parameter dependence of physical quantities, we analytically solve one dimensional harmonic oscillators by the variational path integral; as a byproduct, we obtain the analytical expression of the discretized density matrix using the fourth order approximation for the oscillators. Then, we apply our methods to realistic systems like a water molecule and a para-hydrogen cluster. In the HMC, we adopt two level description to avoid the time consuming Hessian evaluation. For the systems examined in this paper, the HMC method is found to be about three times more efficient than the molecular dynamics method if appropriate HMC parameters are adopted; the advantage of the HMC method is suggested to be more evident for systems described by many body interaction. PMID:27544094

  3. Extra Chance Generalized Hybrid Monte Carlo

    NASA Astrophysics Data System (ADS)

    Campos, Cédric M.; Sanz-Serna, J. M.

    2015-01-01

    We study a method, Extra Chance Generalized Hybrid Monte Carlo, to avoid rejections in the Hybrid Monte Carlo method and related algorithms. In the spirit of delayed rejection, whenever a rejection would occur, extra work is done to find a fresh proposal that, hopefully, may be accepted. We present experiments that clearly indicate that the additional work per sample carried out in the extra chance approach clearly pays in terms of the quality of the samples generated.

  4. Quasi-Monte Carlo integration

    SciTech Connect

    Morokoff, W.J.; Caflisch, R.E.

    1995-12-01

    The standard Monte Carlo approach to evaluating multidimensional integrals using (pseudo)-random integration nodes is frequently used when quadrature methods are too difficult or expensive to implement. As an alternative to the random methods, it has been suggested that lower error and improved convergence may be obtained by replacing the pseudo-random sequences with more uniformly distributed sequences known as quasi-random. In this paper quasi-random (Halton, Sobol`, and Faure) and pseudo-random sequences are compared in computational experiments designed to determine the effects on convergence of certain properties of the integrand, including variance, variation, smoothness, and dimension. The results show that variation, which plays an important role in the theoretical upper bound given by the Koksma-Hlawka inequality, does not affect convergence, while variance, the determining factor in random Monte Carlo, is shown to provide a rough upper bound, but does not accurately predict performance. In general, quasi-Monte Carlo methods are superior to random Monte Carlo, but the advantage may be slight, particularly in high dimensions or for integrands that are not smooth. For discontinuous integrands, we derive a bound which shows that the exponent for algebraic decay of the integration error from quasi-Monte Carlo is only slightly larger than {1/2} in high dimensions. 21 refs., 6 figs., 5 tabs.

  5. Quasi-Monte Carlo Integration

    NASA Astrophysics Data System (ADS)

    Morokoff, William J.; Caflisch, Russel E.

    1995-12-01

    The standard Monte Carlo approach to evaluating multidimensional integrals using (pseudo)-random integration nodes is frequently used when quadrature methods are too difficult or expensive to implement. As an alternative to the random methods, it has been suggested that lower error and improved convergence may be obtained by replacing the pseudo-random sequences with more uniformly distributed sequences known as quasi-random. In this paper quasi-random (Halton, Sobol', and Faure) and pseudo-random sequences are compared in computational experiments designed to determine the effects on convergence of certain properties of the integrand, including variance, variation, smoothness, and dimension. The results show that variation, which plays an important role in the theoretical upper bound given by the Koksma-Hlawka inequality, does not affect convergence, while variance, the determining factor in random Monte Carlo, is shown to provide a rough upper bound, but does not accurately predict performance. In general, quasi-Monte Carlo methods are superior to random Monte Carlo, but the advantage may be slight, particularly in high dimensions or for integrands that are not smooth. For discontinuous integrands, we derive a bound which shows that the exponent for algebraic decay of the integration error from quasi-Monte Carlo is only slightly larger than {1}/{2} in high dimensions.

  6. A separable shadow Hamiltonian hybrid Monte Carlo method

    NASA Astrophysics Data System (ADS)

    Sweet, Christopher R.; Hampton, Scott S.; Skeel, Robert D.; Izaguirre, Jesús A.

    2009-11-01

    Hybrid Monte Carlo (HMC) is a rigorous sampling method that uses molecular dynamics (MD) as a global Monte Carlo move. The acceptance rate of HMC decays exponentially with system size. The shadow hybrid Monte Carlo (SHMC) was previously introduced to reduce this performance degradation by sampling instead from the shadow Hamiltonian defined for MD when using a symplectic integrator. SHMC's performance is limited by the need to generate momenta for the MD step from a nonseparable shadow Hamiltonian. We introduce the separable shadow Hamiltonian hybrid Monte Carlo (S2HMC) method based on a formulation of the leapfrog/Verlet integrator that corresponds to a separable shadow Hamiltonian, which allows efficient generation of momenta. S2HMC gives the acceptance rate of a fourth order integrator at the cost of a second-order integrator. Through numerical experiments we show that S2HMC consistently gives a speedup greater than two over HMC for systems with more than 4000 atoms for the same variance. By comparison, SHMC gave a maximum speedup of only 1.6 over HMC. S2HMC has the additional advantage of not requiring any user parameters beyond those of HMC. S2HMC is available in the program PROTOMOL 2.1. A Python version, adequate for didactic purposes, is also in MDL (http://mdlab.sourceforge.net/s2hmc).

  7. Multiple-time-stepping generalized hybrid Monte Carlo methods

    SciTech Connect

    Escribano, Bruno; Akhmatskaya, Elena; Reich, Sebastian; Azpiroz, Jon M.

    2015-01-01

    Performance of the generalized shadow hybrid Monte Carlo (GSHMC) method [1], which proved to be superior in sampling efficiency over its predecessors [2–4], molecular dynamics and hybrid Monte Carlo, can be further improved by combining it with multi-time-stepping (MTS) and mollification of slow forces. We demonstrate that the comparatively simple modifications of the method not only lead to better performance of GSHMC itself but also allow for beating the best performed methods, which use the similar force splitting schemes. In addition we show that the same ideas can be successfully applied to the conventional generalized hybrid Monte Carlo method (GHMC). The resulting methods, MTS-GHMC and MTS-GSHMC, provide accurate reproduction of thermodynamic and dynamical properties, exact temperature control during simulation and computational robustness and efficiency. MTS-GHMC uses a generalized momentum update to achieve weak stochastic stabilization to the molecular dynamics (MD) integrator. MTS-GSHMC adds the use of a shadow (modified) Hamiltonian to filter the MD trajectories in the HMC scheme. We introduce a new shadow Hamiltonian formulation adapted to force-splitting methods. The use of such Hamiltonians improves the acceptance rate of trajectories and has a strong impact on the sampling efficiency of the method. Both methods were implemented in the open-source MD package ProtoMol and were tested on a water and a protein systems. Results were compared to those obtained using a Langevin Molly (LM) method [5] on the same systems. The test results demonstrate the superiority of the new methods over LM in terms of stability, accuracy and sampling efficiency. This suggests that putting the MTS approach in the framework of hybrid Monte Carlo and using the natural stochasticity offered by the generalized hybrid Monte Carlo lead to improving stability of MTS and allow for achieving larger step sizes in the simulation of complex systems.

  8. Multiple-time-stepping generalized hybrid Monte Carlo methods

    NASA Astrophysics Data System (ADS)

    Escribano, Bruno; Akhmatskaya, Elena; Reich, Sebastian; Azpiroz, Jon M.

    2015-01-01

    Performance of the generalized shadow hybrid Monte Carlo (GSHMC) method [1], which proved to be superior in sampling efficiency over its predecessors [2-4], molecular dynamics and hybrid Monte Carlo, can be further improved by combining it with multi-time-stepping (MTS) and mollification of slow forces. We demonstrate that the comparatively simple modifications of the method not only lead to better performance of GSHMC itself but also allow for beating the best performed methods, which use the similar force splitting schemes. In addition we show that the same ideas can be successfully applied to the conventional generalized hybrid Monte Carlo method (GHMC). The resulting methods, MTS-GHMC and MTS-GSHMC, provide accurate reproduction of thermodynamic and dynamical properties, exact temperature control during simulation and computational robustness and efficiency. MTS-GHMC uses a generalized momentum update to achieve weak stochastic stabilization to the molecular dynamics (MD) integrator. MTS-GSHMC adds the use of a shadow (modified) Hamiltonian to filter the MD trajectories in the HMC scheme. We introduce a new shadow Hamiltonian formulation adapted to force-splitting methods. The use of such Hamiltonians improves the acceptance rate of trajectories and has a strong impact on the sampling efficiency of the method. Both methods were implemented in the open-source MD package ProtoMol and were tested on a water and a protein systems. Results were compared to those obtained using a Langevin Molly (LM) method [5] on the same systems. The test results demonstrate the superiority of the new methods over LM in terms of stability, accuracy and sampling efficiency. This suggests that putting the MTS approach in the framework of hybrid Monte Carlo and using the natural stochasticity offered by the generalized hybrid Monte Carlo lead to improving stability of MTS and allow for achieving larger step sizes in the simulation of complex systems.

  9. A hybrid transport-diffusion Monte Carlo method for frequency-dependent radiative-transfer simulations

    SciTech Connect

    Densmore, Jeffery D.; Thompson, Kelly G.; Urbatsch, Todd J.

    2012-08-15

    Discrete Diffusion Monte Carlo (DDMC) is a technique for increasing the efficiency of Implicit Monte Carlo radiative-transfer simulations in optically thick media. In DDMC, particles take discrete steps between spatial cells according to a discretized diffusion equation. Each discrete step replaces many smaller Monte Carlo steps, thus improving the efficiency of the simulation. In this paper, we present an extension of DDMC for frequency-dependent radiative transfer. We base our new DDMC method on a frequency-integrated diffusion equation for frequencies below a specified threshold, as optical thickness is typically a decreasing function of frequency. Above this threshold we employ standard Monte Carlo, which results in a hybrid transport-diffusion scheme. With a set of frequency-dependent test problems, we confirm the accuracy and increased efficiency of our new DDMC method.

  10. Path Integral Monte Carlo Methods for Fermions

    NASA Astrophysics Data System (ADS)

    Ethan, Ethan; Dubois, Jonathan; Ceperley, David

    2014-03-01

    In general, Quantum Monte Carlo methods suffer from a sign problem when simulating fermionic systems. This causes the efficiency of a simulation to decrease exponentially with the number of particles and inverse temperature. To circumvent this issue, a nodal constraint is often implemented, restricting the Monte Carlo procedure from sampling paths that cause the many-body density matrix to change sign. Unfortunately, this high-dimensional nodal surface is not a priori known unless the system is exactly solvable, resulting in uncontrolled errors. We will discuss two possible routes to extend the applicability of finite-temperatue path integral Monte Carlo. First we extend the regime where signful simulations are possible through a novel permutation sampling scheme. Afterwards, we discuss a method to variationally improve the nodal surface by minimizing a free energy during simulation. Applications of these methods will include both free and interacting electron gases, concluding with discussion concerning extension to inhomogeneous systems. Support from DOE DE-FG52-09NA29456, DE-AC52-07NA27344, LLNL LDRD 10- ERD-058, and the Lawrence Scholar program.

  11. Integrated hybrid silicon triplexer.

    PubMed

    Chang, Hsu-Hao; Kuo, Ying-hao; Jones, Richard; Barkai, Assia; Bowers, John E

    2010-11-01

    We demonstrate an integrated triplexer on silicon with a compact size of 1mm by 3.5mm by utilizing a selective area wafer bonding technique. The wavelength demultiplexer on the triplexer chip successfully separates signals at wavelengths of 1310 nm, 1490 nm and 1550 nm with more than 10 dB extinction ratio. The measured 3 dB bandwidth of the integrated laser and photodetectors are 2 GHz and 16 GHz, respectively. Open eye diagrams are also measured for the integrated photodetector up to 12.5 GHz PRBS inputs. PMID:21164734

  12. A Primer in Monte Carlo Integration Using Mathcad

    ERIC Educational Resources Information Center

    Hoyer, Chad E.; Kegerreis, Jeb S.

    2013-01-01

    The essentials of Monte Carlo integration are presented for use in an upper-level physical chemistry setting. A Mathcad document that aids in the dissemination and utilization of this information is described and is available in the Supporting Information. A brief outline of Monte Carlo integration is given, along with ideas and pedagogy for…

  13. Quantum photonics hybrid integration platform

    SciTech Connect

    Murray, E.; Floether, F. F.; Ellis, D. J. P.; Meany, T.; Bennett, A. J. Shields, A. J.; Lee, J. P.; Griffiths, J. P.; Jones, G. A. C.; Farrer, I.; Ritchie, D. A.

    2015-10-26

    Fundamental to integrated photonic quantum computing is an on-chip method for routing and modulating quantum light emission. We demonstrate a hybrid integration platform consisting of arbitrarily designed waveguide circuits and single-photon sources. InAs quantum dots (QD) embedded in GaAs are bonded to a SiON waveguide chip such that the QD emission is coupled to the waveguide mode. The waveguides are SiON core embedded in a SiO{sub 2} cladding. A tuneable Mach Zehnder interferometer (MZI) modulates the emission between two output ports and can act as a path-encoded qubit preparation device. The single-photon nature of the emission was verified using the on-chip MZI as a beamsplitter in a Hanbury Brown and Twiss measurement.

  14. Hybrid Monte Carlo-Deterministic Methods for Nuclear Reactor-Related Criticality Calculations

    SciTech Connect

    Edward W. Larson

    2004-02-17

    The overall goal of this project is to develop, implement, and test new Hybrid Monte Carlo-deterministic (or simply Hybrid) methods for the more efficient and more accurate calculation of nuclear engineering criticality problems. These new methods will make use of two (philosophically and practically) very different techniques - the Monte Carlo technique, and the deterministic technique - which have been developed completely independently during the past 50 years. The concept of this proposal is to merge these two approaches and develop fundamentally new computational techniques that enhance the strengths of the individual Monte Carlo and deterministic approaches, while minimizing their weaknesses.

  15. Path integral Monte Carlo and the electron gas

    NASA Astrophysics Data System (ADS)

    Brown, Ethan W.

    Path integral Monte Carlo is a proven method for accurately simulating quantum mechanical systems at finite-temperature. By stochastically sampling Feynman's path integral representation of the quantum many-body density matrix, path integral Monte Carlo includes non-perturbative effects like thermal fluctuations and particle correlations in a natural way. Over the past 30 years, path integral Monte Carlo has been successfully employed to study the low density electron gas, high-pressure hydrogen, and superfluid helium. For systems where the role of Fermi statistics is important, however, traditional path integral Monte Carlo simulations have an exponentially decreasing efficiency with decreased temperature and increased system size. In this thesis, we work towards improving this efficiency, both through approximate and exact methods, as specifically applied to the homogeneous electron gas. We begin with a brief overview of the current state of atomic simulations at finite-temperature before we delve into a pedagogical review of the path integral Monte Carlo method. We then spend some time discussing the one major issue preventing exact simulation of Fermi systems, the sign problem. Afterwards, we introduce a way to circumvent the sign problem in PIMC simulations through a fixed-node constraint. We then apply this method to the homogeneous electron gas at a large swatch of densities and temperatures in order to map out the warm-dense matter regime. The electron gas can be a representative model for a host of real systems, from simple medals to stellar interiors. However, its most common use is as input into density functional theory. To this end, we aim to build an accurate representation of the electron gas from the ground state to the classical limit and examine its use in finite-temperature density functional formulations. The latter half of this thesis focuses on possible routes beyond the fixed-node approximation. As a first step, we utilize the variational

  16. Monte Carlo Hybrid Applied to Binary Stochastic Mixtures

    Energy Science and Technology Software Center (ESTSC)

    2008-08-11

    The purpose of this set of codes isto use an inexpensive, approximate deterministic flux distribution to generate weight windows, wihich will then be used to bound particle weights for the Monte Carlo code run. The process is not automated; the user must run the deterministic code and use the output file as a command-line argument for the Monte Carlo code. Two sets of text input files are included as test problems/templates.

  17. Path integral Monte Carlo on a lattice: extended states.

    PubMed

    O'Callaghan, Mark; Miller, Bruce N

    2014-04-01

    The equilibrium properties of a single quantum particle (qp) interacting with a classical gas for a wide range of temperatures that explore the system's behavior in the classical as well as in the quantum regime is investigated. Both the qp and atoms are restricted to the sites of a one-dimensional lattice. A path integral formalism is developed within the context of the canonical ensemble in which the qp is represented by a closed, variable-step random walk on the lattice. Monte Carlo methods are employed to determine the system's properties. For the case of a free particle, analytical expressions for the energy, its fluctuations, and the qp-qp correlation function are derived and compared with the Monte Carlo simulations. To test the usefulness of the path integral formalism, the Metropolis algorithm is employed to determine the equilibrium properties of the qp for a periodic interaction potential, forcing the qp to occupy extended states. We consider a striped potential in one dimension, where every other lattice site is occupied by an atom with potential ε, and every other lattice site is empty. This potential serves as a stress test for the path integral formalism because of its rapid site-to-site variation. An analytical solution was determined in this case by utilizing Bloch's theorem due to the periodicity of the potential. Comparisons of the potential energy, the total energy, the energy fluctuations, and the correlation function are made between the results of the Monte Carlo simulations and the analytical calculations. PMID:24827210

  18. Multiple Time-Step Dual-Hamiltonian Hybrid Molecular Dynamics - Monte Carlo Canonical Propagation Algorithm.

    PubMed

    Chen, Yunjie; Kale, Seyit; Weare, Jonathan; Dinner, Aaron R; Roux, Benoît

    2016-04-12

    A multiple time-step integrator based on a dual Hamiltonian and a hybrid method combining molecular dynamics (MD) and Monte Carlo (MC) is proposed to sample systems in the canonical ensemble. The Dual Hamiltonian Multiple Time-Step (DHMTS) algorithm is based on two similar Hamiltonians: a computationally expensive one that serves as a reference and a computationally inexpensive one to which the workload is shifted. The central assumption is that the difference between the two Hamiltonians is slowly varying. Earlier work has shown that such dual Hamiltonian multiple time-step schemes effectively precondition nonlinear differential equations for dynamics by reformulating them into a recursive root finding problem that can be solved by propagating a correction term through an internal loop, analogous to RESPA. Of special interest in the present context, a hybrid MD-MC version of the DHMTS algorithm is introduced to enforce detailed balance via a Metropolis acceptance criterion and ensure consistency with the Boltzmann distribution. The Metropolis criterion suppresses the discretization errors normally associated with the propagation according to the computationally inexpensive Hamiltonian, treating the discretization error as an external work. Illustrative tests are carried out to demonstrate the effectiveness of the method. PMID:26918826

  19. Multiple Time-Step Dual-Hamiltonian Hybrid Molecular Dynamics — Monte Carlo Canonical Propagation Algorithm

    PubMed Central

    Weare, Jonathan; Dinner, Aaron R.; Roux, Benoît

    2016-01-01

    A multiple time-step integrator based on a dual Hamiltonian and a hybrid method combining molecular dynamics (MD) and Monte Carlo (MC) is proposed to sample systems in the canonical ensemble. The Dual Hamiltonian Multiple Time-Step (DHMTS) algorithm is based on two similar Hamiltonians: a computationally expensive one that serves as a reference and a computationally inexpensive one to which the workload is shifted. The central assumption is that the difference between the two Hamiltonians is slowly varying. Earlier work has shown that such dual Hamiltonian multiple time-step schemes effectively precondition nonlinear differential equations for dynamics by reformulating them into a recursive root finding problem that can be solved by propagating a correction term through an internal loop, analogous to RESPA. Of special interest in the present context, a hybrid MD-MC version of the DHMTS algorithm is introduced to enforce detailed balance via a Metropolis acceptance criterion and ensure consistency with the Boltzmann distribution. The Metropolis criterion suppresses the discretization errors normally associated with the propagation according to the computationally inexpensive Hamiltonian, treating the discretization error as an external work. Illustrative tests are carried out to demonstrate the effectiveness of the method. PMID:26918826

  20. Monte Carlo Integration Using Spatial Structure of Markov Random Field

    NASA Astrophysics Data System (ADS)

    Yasuda, Muneki

    2015-03-01

    Monte Carlo integration (MCI) techniques are important in various fields. In this study, a new MCI technique for Markov random fields (MRFs) is proposed. MCI consists of two successive parts: the first involves sampling using a technique such as the Markov chain Monte Carlo method, and the second involves an averaging operation using the obtained sample points. In the averaging operation, a simple sample averaging technique is often employed. The method proposed in this paper improves the averaging operation by addressing the spatial structure of the MRF and is mathematically guaranteed to statistically outperform standard MCI using the simple sample averaging operation. Moreover, the proposed method can be improved in a systematic manner and is numerically verified by numerical simulations using planar Ising models. In the latter part of this paper, the proposed method is applied to the inverse Ising problem and we observe that it outperforms the maximum pseudo-likelihood estimation.

  1. Path integral Monte Carlo on a lattice. II. Bound states.

    PubMed

    O'Callaghan, Mark; Miller, Bruce N

    2016-07-01

    The equilibrium properties of a single quantum particle (qp) interacting with a classical gas for a wide range of temperatures that explore the system's behavior in the classical as well as in the quantum regime is investigated. Both the qp and the atoms are restricted to sites on a one-dimensional lattice. A path integral formalism developed within the context of the canonical ensemble is utilized, where the qp is represented by a closed, variable-step random walk on the lattice. Monte Carlo methods are employed to determine the system's properties. To test the usefulness of the path integral formalism, the Metropolis algorithm is employed to determine the equilibrium properties of the qp in the context of a square well potential, forcing the qp to occupy bound states. We consider a one-dimensional square well potential where all atoms on the lattice are occupied with one atom with an on-site potential except for a contiguous set of sites of various lengths centered at the middle of the lattice. Comparison of the potential energy, the energy fluctuations, and the correlation function are made between the results of the Monte Carlo simulations and the numerical calculations. PMID:27575090

  2. Monte Carlo modeling of an integrating sphere reflectometer.

    PubMed

    Prokhorov, Alexander V; Mekhontsev, Sergey N; Hanssen, Leonard M

    2003-07-01

    The Monte Carlo method has been applied to numerical modeling of an integrating sphere designed for hemispherical-directional reflectance factor measurements. It is shown that a conventional algorithm of backward ray tracing used for estimation of characteristics of the radiation field at a given point has slow convergence for small source-to-sphere-diameter ratios. A newly developed algorithm that substantially improves the convergence by calculation of direct source-induced irradiation for every point of diffuse reflection of rays traced is described. The method developed is applied to an integrating sphere reflectometer for the visible and infrared spectral ranges. Parametric studies of hemispherical radiance distributions for radiation incident onto the sample center were performed. The deviations of measured sample reflectance from the actual reflectance as a result of various factors were computed. The accuracy of the results, adequacy of the reflectance model, and other important aspects of the algorithm implementation are discussed. PMID:12868822

  3. Hybrid Monte Carlo on Lefschetz thimbles — A study of the residual sign problem

    NASA Astrophysics Data System (ADS)

    Fujii, H.; Honda, D.; Kato, M.; Kikukawa, Y.; Komatsu, S.; Sano, T.

    2013-10-01

    We consider a hybrid Monte Carlo algorithm which is applicable to lattice theories defined on Lefschetz thimbles. In the algorithm, any point (field configuration) on a thimble is parametrized uniquely by the flow-direction and the flow-time defined at a certain asymptotic region close to the critical point, and it is generated by solving the gradient flow equation downward. The associated complete set of tangent vectors is also generated in the same manner. Molecular dynamics is then formulated as a constrained dynamical system, where the equations of motion with Lagrange multipliers are solved by the second-order constraint-preserving symmetric integrator. The algorithm is tested in the λ ϕ 4 model at finite density, by choosing the thimbles associated with the classical vacua for subcritical and supercritical values of chemical potential. For the lattice size L = 4, we find that the residual sign factors average to not less than 0.99 and are safely included by reweighting and that the results of the number density are consistent with those obtained by the complex Langevin simulations.

  4. Hybrid Monte-Carlo method for simulating neutron and photon radiography

    NASA Astrophysics Data System (ADS)

    Wang, Han; Tang, Vincent

    2013-11-01

    We present a Hybrid Monte-Carlo method (HMCM) for simulating neutron and photon radiographs. HMCM utilizes the combination of a Monte-Carlo particle simulation for calculating incident film radiation and a statistical post-processing routine to simulate film noise. Since the method relies on MCNP for transport calculations, it is easily generalized to most non-destructive evaluation (NDE) simulations. We verify the method's accuracy through ASTM International's E592-99 publication, Standard Guide to Obtainable Equivalent Penetrameter Sensitivity for Radiography of Steel Plates [1]. Potential uses for the method include characterizing alternative radiological sources and simulating NDE radiographs.

  5. Novel Hybrid Monte Carlo/Deterministic Technique for Shutdown Dose Rate Analyses of Fusion Energy Systems

    SciTech Connect

    Ibrahim, Ahmad M; Peplow, Douglas E.; Peterson, Joshua L; Grove, Robert E

    2013-01-01

    The rigorous 2-step (R2S) method uses three-dimensional Monte Carlo transport simulations to calculate the shutdown dose rate (SDDR) in fusion reactors. Accurate full-scale R2S calculations are impractical in fusion reactors because they require calculating space- and energy-dependent neutron fluxes everywhere inside the reactor. The use of global Monte Carlo variance reduction techniques was suggested for accelerating the neutron transport calculation of the R2S method. The prohibitive computational costs of these approaches, which increase with the problem size and amount of shielding materials, inhibit their use in the accurate full-scale neutronics analyses of fusion reactors. This paper describes a novel hybrid Monte Carlo/deterministic technique that uses the Consistent Adjoint Driven Importance Sampling (CADIS) methodology but focuses on multi-step shielding calculations. The Multi-Step CADIS (MS-CADIS) method speeds up the Monte Carlo neutron calculation of the R2S method using an importance function that represents the importance of the neutrons to the final SDDR. Using a simplified example, preliminarily results showed that the use of MS-CADIS enhanced the efficiency of the neutron Monte Carlo simulation of an SDDR calculation by a factor of 550 compared to standard global variance reduction techniques, and that the increase over analog Monte Carlo is higher than 10,000.

  6. Spinor path integral Quantum Monte Carlo for fermions

    NASA Astrophysics Data System (ADS)

    Shin, Daejin; Yousif, Hosam; Shumway, John

    2007-03-01

    We have developed a continuous-space path integral method for spin 1/2 fermions with fixed-phase approximation. The internal spin degrees of freedom of each particle is represented by four extra dimensions. This effectively maps each spinor onto two of the excited states of a four dimensional harmonic oscillator. The phases that appear in the problem can be treated within the fixed-phase approximation. This mapping preserves rotational invariance and allows us to treat spin interactions and fermionic exchange on equal footing, which may lead to new theoretical insights. The technique is illustrated for a few simple models, including a spin in a magnetic field and interacting electrons in a quantum dot in a magnetic field at finite temperature. We will discuss possible extensions of the method to molecules and solids using variational and diffusion Quantum Monte Carlo.

  7. Monte Carlo Simulations of Background Spectra in Integral Imager Detectors

    NASA Technical Reports Server (NTRS)

    Armstrong, T. W.; Colborn, B. L.; Dietz, K. L.; Ramsey, B. D.; Weisskopf, M. C.

    1998-01-01

    Predictions of the expected gamma-ray backgrounds in the ISGRI (CdTe) and PiCsIT (Csl) detectors on INTEGRAL due to cosmic-ray interactions and the diffuse gamma-ray background have been made using a coupled set of Monte Carlo radiation transport codes (HETC, FLUKA, EGS4, and MORSE) and a detailed, 3-D mass model of the spacecraft and detector assemblies. The simulations include both the prompt background component from induced hadronic and electromagnetic cascades and the delayed component due to emissions from induced radioactivity. Background spectra have been obtained with and without the use of active (BGO) shielding and charged particle rejection to evaluate the effectiveness of anticoincidence counting on background rejection.

  8. Implementation of C* Boundary Conditions in the Hybrid Monte Carlo Algorithm

    NASA Astrophysics Data System (ADS)

    Carmona, José Manuel; D'elia, Massimo; Di Giacomo, Adriano; Lucini, Biagio

    In the study of QCD dynamics, C* boundary conditions are physically relevant in certain cases. In this paper, we study the implementation of these boundary conditions in the lattice formulation of full QCD with staggered fermions. In particular, we show that the usual even-odd partition trick to avoid the redoubling of the fermion matrix is still valid in this case. We give an explicit implementation of these boundary conditions for the Hybrid Monte Carlo algorithm.

  9. Hybrid manufacturing : integrating direct write and sterolithography.

    SciTech Connect

    Davis, Donald W.; Inamdar, Asim; Lopes, Amit; Chavez, Bart D.; Gallegos, Phillip L.; Palmer, Jeremy Andrew; Wicker, Ryan B.; Medina, Francisco; Hennessey, Robert E.

    2005-07-01

    A commercial stereolithography (SL) machine was modified to integrate fluid dispensing or direct-write (DW) technology with SL in an integrated manufacturing environment for automated and efficient hybrid manufacturing of complex electrical devices, combining three-dimensional (3D) electrical circuitry with SL-manufactured parts. The modified SL system operates similarly to a commercially available machine, although build interrupts were used to stop and start the SL build while depositing fluid using the DW system. An additional linear encoder was attached to the SL platform z-stage and used to maintain accurate part registration during the SL and DW build processes. Individual STL files were required as part of the manufacturing process plan. The DW system employed a three-axis translation mechanism that was integrated with the commercial SL machine. Registration between the SL part, SL laser and the DW nozzle was maintained through the use of 0.025-inch diameter cylindrical reference holes manufactured in the part during SL. After depositing conductive ink using DW, the SL laser was commanded to trace the profile until the ink was cured. The current system allows for easy exchange between SL and DW in order to manufacture fully functional 3D electrical circuits and structures in a semi-automated environment. To demonstrate the manufacturing capabilities, the hybrid SL/DW setup was used to make a simple multi-layer SL part with embedded circuitry. This hybrid system is not intended to function as a commercial system, it is intended for experimental demonstration only. This hybrid SL/DW system has the potential for manufacturing fully functional electromechanical devices that are more compact, less expensive, and more reliable than their conventional predecessors, and work is ongoing in order to fully automate the current system.

  10. Implementation of hybrid variance reduction methods in a multi group Monte Carlo code for deep shielding problems

    SciTech Connect

    Somasundaram, E.; Palmer, T. S.

    2013-07-01

    In this paper, the work that has been done to implement variance reduction techniques in a three dimensional, multi group Monte Carlo code - Tortilla, that works within the frame work of the commercial deterministic code - Attila, is presented. This project is aimed to develop an integrated Hybrid code that seamlessly takes advantage of the deterministic and Monte Carlo methods for deep shielding radiation detection problems. Tortilla takes advantage of Attila's features for generating the geometric mesh, cross section library and source definitions. Tortilla can also read importance functions (like adjoint scalar flux) generated from deterministic calculations performed in Attila and use them to employ variance reduction schemes in the Monte Carlo simulation. The variance reduction techniques that are implemented in Tortilla are based on the CADIS (Consistent Adjoint Driven Importance Sampling) method and the LIFT (Local Importance Function Transform) method. These methods make use of the results from an adjoint deterministic calculation to bias the particle transport using techniques like source biasing, survival biasing, transport biasing and weight windows. The results obtained so far and the challenges faced in implementing the variance reduction techniques are reported here. (authors)

  11. A Hybrid Monte Carlo-Deterministic Method for Global Binary Stochastic Medium Transport Problems

    SciTech Connect

    Keady, K P; Brantley, P

    2010-03-04

    Global deep-penetration transport problems are difficult to solve using traditional Monte Carlo techniques. In these problems, the scalar flux distribution is desired at all points in the spatial domain (global nature), and the scalar flux typically drops by several orders of magnitude across the problem (deep-penetration nature). As a result, few particle histories may reach certain regions of the domain, producing a relatively large variance in tallies in those regions. Implicit capture (also known as survival biasing or absorption suppression) can be used to increase the efficiency of the Monte Carlo transport algorithm to some degree. A hybrid Monte Carlo-deterministic technique has previously been developed by Cooper and Larsen to reduce variance in global problems by distributing particles more evenly throughout the spatial domain. This hybrid method uses an approximate deterministic estimate of the forward scalar flux distribution to automatically generate weight windows for the Monte Carlo transport simulation, avoiding the necessity for the code user to specify the weight window parameters. In a binary stochastic medium, the material properties at a given spatial location are known only statistically. The most common approach to solving particle transport problems involving binary stochastic media is to use the atomic mix (AM) approximation in which the transport problem is solved using ensemble-averaged material properties. The most ubiquitous deterministic model developed specifically for solving binary stochastic media transport problems is the Levermore-Pomraning (L-P) model. Zimmerman and Adams proposed a Monte Carlo algorithm (Algorithm A) that solves the Levermore-Pomraning equations and another Monte Carlo algorithm (Algorithm B) that is more accurate as a result of improved local material realization modeling. Recent benchmark studies have shown that Algorithm B is often significantly more accurate than Algorithm A (and therefore the L-P model

  12. CAD-based Monte Carlo Program for Integrated Simulation of Nuclear System SuperMC

    NASA Astrophysics Data System (ADS)

    Wu, Yican; Song, Jing; Zheng, Huaqing; Sun, Guangyao; Hao, Lijuan; Long, Pengcheng; Hu, Liqin

    2014-06-01

    Monte Carlo (MC) method has distinct advantages to simulate complicated nuclear systems and is envisioned as routine method for nuclear design and analysis in the future. High fidelity simulation with MC method coupled with multi-physical phenomenon simulation has significant impact on safety, economy and sustainability of nuclear systems. However, great challenges to current MC methods and codes prevent its application in real engineering project. SuperMC is a CAD-based Monte Carlo program for integrated simulation of nuclear system developed by FDS Team, China, making use of hybrid MC-deterministic method and advanced computer technologies. The design aim, architecture and main methodology of SuperMC were presented in this paper. SuperMC2.1, the latest version for neutron, photon and coupled neutron and photon transport calculation, has been developed and validated by using a series of benchmarking cases such as the fusion reactor ITER model and the fast reactor BN-600 model. SuperMC is still in its evolution process toward a general and routine tool for nuclear system. Warning, no authors found for 2014snam.conf06023.

  13. A comparison of generalized hybrid Monte Carlo methods with and without momentum flip

    SciTech Connect

    Akhmatskaya, Elena; Bou-Rabee, Nawaf; Reich, Sebastian

    2009-04-01

    The generalized hybrid Monte Carlo (GHMC) method combines Metropolis corrected constant energy simulations with a partial random refreshment step in the particle momenta. The standard detailed balance condition requires that momenta are negated upon rejection of a molecular dynamics proposal step. The implication is a trajectory reversal upon rejection, which is undesirable when interpreting GHMC as thermostated molecular dynamics. We show that a modified detailed balance condition can be used to implement GHMC without momentum flips. The same modification can be applied to the generalized shadow hybrid Monte Carlo (GSHMC) method. Numerical results indicate that GHMC/GSHMC implementations with momentum flip display a favorable behavior in terms of sampling efficiency, i.e., the traditional GHMC/GSHMC implementations with momentum flip got the advantage of a higher acceptance rate and faster decorrelation of Monte Carlo samples. The difference is more pronounced for GHMC. We also numerically investigate the behavior of the GHMC method as a Langevin-type thermostat. We find that the GHMC method without momentum flip interferes less with the underlying stochastic molecular dynamics in terms of autocorrelation functions and it to be preferred over the GHMC method with momentum flip. The same finding applies to GSHMC.

  14. Hybrid two-dimensional Monte-Carlo electron transport in self-consistent electromagnetic fields

    SciTech Connect

    Mason, R.J.; Cranfill, C.W.

    1985-01-01

    The physics and numerics of the hybrid electron transport code ANTHEM are described. The need for the hybrid modeling of laser generated electron transport is outlined, and a general overview of the hybrid implementation in ANTHEM is provided. ANTHEM treats the background ions and electrons in a laser target as coupled fluid components moving relative to a fixed Eulerian mesh. The laser converts cold electrons to an additional hot electron component which evolves on the mesh as either a third coupled fluid or as a set of Monte Carlo PIC particles. The fluids and particles move in two-dimensions through electric and magnetic fields calculated via the Implicit Moment method. The hot electrons are coupled to the background thermal electrons by Coulomb drag, and both the hot and cold electrons undergo Rutherford scattering against the ion background. Subtleties of the implicit E- and B-field solutions, the coupled hydrodynamics, and large time step Monte Carlo particle scattering are discussed. Sample applications are presented.

  15. A Preliminary Study of In-House Monte Carlo Simulations: An Integrated Monte Carlo Verification System

    SciTech Connect

    Mukumoto, Nobutaka; Tsujii, Katsutomo; Saito, Susumu; Yasunaga, Masayoshi; Takegawa, Hidek; Yamamoto, Tokihiro; Numasaki, Hodaka; Teshima, Teruki

    2009-10-01

    Purpose: To develop an infrastructure for the integrated Monte Carlo verification system (MCVS) to verify the accuracy of conventional dose calculations, which often fail to accurately predict dose distributions, mainly due to inhomogeneities in the patient's anatomy, for example, in lung and bone. Methods and Materials: The MCVS consists of the graphical user interface (GUI) based on a computational environment for radiotherapy research (CERR) with MATLAB language. The MCVS GUI acts as an interface between the MCVS and a commercial treatment planning system to import the treatment plan, create MC input files, and analyze MC output dose files. The MCVS consists of the EGSnrc MC codes, which include EGSnrc/BEAMnrc to simulate the treatment head and EGSnrc/DOSXYZnrc to calculate the dose distributions in the patient/phantom. In order to improve computation time without approximations, an in-house cluster system was constructed. Results: The phase-space data of a 6-MV photon beam from a Varian Clinac unit was developed and used to establish several benchmarks under homogeneous conditions. The MC results agreed with the ionization chamber measurements to within 1%. The MCVS GUI could import and display the radiotherapy treatment plan created by the MC method and various treatment planning systems, such as RTOG and DICOM-RT formats. Dose distributions could be analyzed by using dose profiles and dose volume histograms and compared on the same platform. With the cluster system, calculation time was improved in line with the increase in the number of central processing units (CPUs) at a computation efficiency of more than 98%. Conclusions: Development of the MCVS was successful for performing MC simulations and analyzing dose distributions.

  16. Empirical Analysis of Stochastic Volatility Model by Hybrid Monte Carlo Algorithm

    NASA Astrophysics Data System (ADS)

    Takaishi, Tetsuya

    2013-04-01

    The stochastic volatility model is one of volatility models which infer latent volatility of asset returns. The Bayesian inference of the stochastic volatility (SV) model is performed by the hybrid Monte Carlo (HMC) algorithm which is superior to other Markov Chain Monte Carlo methods in sampling volatility variables. We perform the HMC simulations of the SV model for two liquid stock returns traded on the Tokyo Stock Exchange and measure the volatilities of those stock returns. Then we calculate the accuracy of the volatility measurement using the realized volatility as a proxy of the true volatility and compare the SV model with the GARCH model which is one of other volatility models. Using the accuracy calculated with the realized volatility we find that empirically the SV model performs better than the GARCH model.

  17. A hybrid transport-diffusion method for Monte Carlo radiative-transfer simulations

    SciTech Connect

    Densmore, Jeffery D. . E-mail: jdd@lanl.gov; Urbatsch, Todd J. . E-mail: tmonster@lanl.gov; Evans, Thomas M. . E-mail: tme@lanl.gov; Buksas, Michael W. . E-mail: mwbuksas@lanl.gov

    2007-03-20

    Discrete Diffusion Monte Carlo (DDMC) is a technique for increasing the efficiency of Monte Carlo particle-transport simulations in diffusive media. If standard Monte Carlo is used in such media, particle histories will consist of many small steps, resulting in a computationally expensive calculation. In DDMC, particles take discrete steps between spatial cells according to a discretized diffusion equation. Each discrete step replaces many small Monte Carlo steps, thus increasing the efficiency of the simulation. In addition, given that DDMC is based on a diffusion equation, it should produce accurate solutions if used judiciously. In practice, DDMC is combined with standard Monte Carlo to form a hybrid transport-diffusion method that can accurately simulate problems with both diffusive and non-diffusive regions. In this paper, we extend previously developed DDMC techniques in several ways that improve the accuracy and utility of DDMC for nonlinear, time-dependent, radiative-transfer calculations. The use of DDMC in these types of problems is advantageous since, due to the underlying linearizations, optically thick regions appear to be diffusive. First, we employ a diffusion equation that is discretized in space but is continuous in time. Not only is this methodology theoretically more accurate than temporally discretized DDMC techniques, but it also has the benefit that a particle's time is always known. Thus, there is no ambiguity regarding what time to assign a particle that leaves an optically thick region (where DDMC is used) and begins transporting by standard Monte Carlo in an optically thin region. Also, we treat the interface between optically thick and optically thin regions with an improved method, based on the asymptotic diffusion-limit boundary condition, that can produce accurate results regardless of the angular distribution of the incident Monte Carlo particles. Finally, we develop a technique for estimating radiation momentum deposition during the

  18. Hybrid Parallel Programming Models for AMR Neutron Monte-Carlo Transport

    NASA Astrophysics Data System (ADS)

    Dureau, David; Poëtte, Gaël

    2014-06-01

    This paper deals with High Performance Computing (HPC) applied to neutron transport theory on complex geometries, thanks to both an Adaptive Mesh Refinement (AMR) algorithm and a Monte-Carlo (MC) solver. Several Parallelism models are presented and analyzed in this context, among them shared memory and distributed memory ones such as Domain Replication and Domain Decomposition, together with Hybrid strategies. The study is illustrated by weak and strong scalability tests on complex benchmarks on several thousands of cores thanks to the petaflopic supercomputer Tera100.

  19. A hybrid phase-space and histogram source model for GPU-based Monte Carlo radiotherapy dose calculation

    NASA Astrophysics Data System (ADS)

    Townson, Reid W.; Zavgorodni, Sergei

    2014-12-01

    In GPU-based Monte Carlo simulations for radiotherapy dose calculation, source modelling from a phase-space source can be an efficiency bottleneck. Previously, this has been addressed using phase-space-let (PSL) sources, which provided significant efficiency enhancement. We propose that additional speed-up can be achieved through the use of a hybrid primary photon point source model combined with a secondary PSL source. A novel phase-space derived and histogram-based implementation of this model has been integrated into gDPM v3.0. Additionally, a simple method for approximately deriving target photon source characteristics from a phase-space that does not contain inheritable particle history variables (LATCH) has been demonstrated to succeed in selecting over 99% of the true target photons with only ~0.3% contamination (for a Varian 21EX 18 MV machine). The hybrid source model was tested using an array of open fields for various Varian 21EX and TrueBeam energies, and all cases achieved greater than 97% chi-test agreement (the mean was 99%) above the 2% isodose with 1% / 1 mm criteria. The root mean square deviations (RMSDs) were less than 1%, with a mean of 0.5%, and the source generation time was 4-5 times faster. A seven-field intensity modulated radiation therapy patient treatment achieved 95% chi-test agreement above the 10% isodose with 1% / 1 mm criteria, 99.8% for 2% / 2 mm, a RMSD of 0.8%, and source generation speed-up factor of 2.5. Presented as part of the International Workshop on Monte Carlo Techniques in Medical Physics

  20. Using hybrid implicit Monte Carlo diffusion to simulate gray radiation hydrodynamics

    NASA Astrophysics Data System (ADS)

    Cleveland, Mathew A.; Gentile, Nick

    2015-06-01

    This work describes how to couple a hybrid Implicit Monte Carlo Diffusion (HIMCD) method with a Lagrangian hydrodynamics code to evaluate the coupled radiation hydrodynamics equations. This HIMCD method dynamically applies Implicit Monte Carlo Diffusion (IMD) [1] to regions of a problem that are opaque and diffusive while applying standard Implicit Monte Carlo (IMC) [2] to regions where the diffusion approximation is invalid. We show that this method significantly improves the computational efficiency as compared to a standard IMC/Hydrodynamics solver, when optically thick diffusive material is present, while maintaining accuracy. Two test cases are used to demonstrate the accuracy and performance of HIMCD as compared to IMC and IMD. The first is the Lowrie semi-analytic diffusive shock [3]. The second is a simple test case where the source radiation streams through optically thin material and heats a thick diffusive region of material causing it to rapidly expand. We found that HIMCD proves to be accurate, robust, and computationally efficient for these test problems.

  1. Using hybrid implicit Monte Carlo diffusion to simulate gray radiation hydrodynamics

    SciTech Connect

    Cleveland, Mathew A. Gentile, Nick

    2015-06-15

    This work describes how to couple a hybrid Implicit Monte Carlo Diffusion (HIMCD) method with a Lagrangian hydrodynamics code to evaluate the coupled radiation hydrodynamics equations. This HIMCD method dynamically applies Implicit Monte Carlo Diffusion (IMD) [1] to regions of a problem that are opaque and diffusive while applying standard Implicit Monte Carlo (IMC) [2] to regions where the diffusion approximation is invalid. We show that this method significantly improves the computational efficiency as compared to a standard IMC/Hydrodynamics solver, when optically thick diffusive material is present, while maintaining accuracy. Two test cases are used to demonstrate the accuracy and performance of HIMCD as compared to IMC and IMD. The first is the Lowrie semi-analytic diffusive shock [3]. The second is a simple test case where the source radiation streams through optically thin material and heats a thick diffusive region of material causing it to rapidly expand. We found that HIMCD proves to be accurate, robust, and computationally efficient for these test problems.

  2. Hybrid laser integration for silicon photonics platform

    NASA Astrophysics Data System (ADS)

    Yang, Shuyu

    Silicon photonics has attracted extensive attention in both academia and industry in recent years, as an enabling technology to address the exponentially increasing demands for communication bandwidth. It brings state-of-the-art complementary metal-oxide-semiconductor (CMOS) processing technology to the field of photonic integration. The high yield and uniformity of silicon devices make it possible to build complex photonic systems-on-chip in large production volumes. Cutting-edge device performance has been demonstrated on this platform, including high-speed modulators, photodetectors, and passive devices such as the Y-junction, waveguide crossing, and arrayed waveguide gratings. As the device library quickly matures, an integrated laser source for a transmitter remains missing from the design kit. I demonstrated hybrid external cavity lasers by integrating reflective optical semiconductor amplifiers and silicon photonics chips. The gain chip and silicon chip can be designed and optimized independently, which is a significant advantage compared to bonding an III-V film on top of the silicon chip. Advanced optoelectronics packaging processes can be leveraged for chip alignment. Tunable C-Band (near 1550 nm) lasers with 10 mW on-chip power and less than 220 kHz bandwidth are demonstrated. O-Band lasers (operating near 1310 nm) as well as successful data transmission at 10 Gb/s and 40 Gb/s using the hybrid laser as the light source are also demonstrated. I designed a single cavity, multi wavelength laser by utilizing a quantum dot SOA, Sagnac loop and micro-ring based silicon photonics half cavity. Four lasing peaks with less than 3 dB power non-uniformity were measured, as well as 4 x 10 Gb/s error free data transmission. In addition to my main focus on RSOA/Silicon external cavity lasers, I propose and demonstrate a novel germanium-assisted grating coupler with low loss on-and-off chip fiber coupling. A coupling efficiency of 76% at 1.55 microm and 40 nm 1 d

  3. Automatic mesh adaptivity for hybrid Monte Carlo/deterministic neutronics modeling of difficult shielding problems

    SciTech Connect

    Ibrahim, Ahmad M.; Wilson, Paul P.H.; Sawan, Mohamed E.; Mosher, Scott W.; Peplow, Douglas E.; Wagner, John C.; Evans, Thomas M.; Grove, Robert E.

    2015-06-30

    The CADIS and FW-CADIS hybrid Monte Carlo/deterministic techniques dramatically increase the efficiency of neutronics modeling, but their use in the accurate design analysis of very large and geometrically complex nuclear systems has been limited by the large number of processors and memory requirements for their preliminary deterministic calculations and final Monte Carlo calculation. Three mesh adaptivity algorithms were developed to reduce the memory requirements of CADIS and FW-CADIS without sacrificing their efficiency improvement. First, a macromaterial approach enhances the fidelity of the deterministic models without changing the mesh. Second, a deterministic mesh refinement algorithm generates meshes that capture as much geometric detail as possible without exceeding a specified maximum number of mesh elements. Finally, a weight window coarsening algorithm decouples the weight window mesh and energy bins from the mesh and energy group structure of the deterministic calculations in order to remove the memory constraint of the weight window map from the deterministic mesh resolution. The three algorithms were used to enhance an FW-CADIS calculation of the prompt dose rate throughout the ITER experimental facility. Using these algorithms resulted in a 23.3% increase in the number of mesh tally elements in which the dose rates were calculated in a 10-day Monte Carlo calculation and, additionally, increased the efficiency of the Monte Carlo simulation by a factor of at least 3.4. The three algorithms enabled this difficult calculation to be accurately solved using an FW-CADIS simulation on a regular computer cluster, eliminating the need for a world-class super computer.

  4. Automatic mesh adaptivity for hybrid Monte Carlo/deterministic neutronics modeling of difficult shielding problems

    DOE PAGESBeta

    Ibrahim, Ahmad M.; Wilson, Paul P.H.; Sawan, Mohamed E.; Mosher, Scott W.; Peplow, Douglas E.; Wagner, John C.; Evans, Thomas M.; Grove, Robert E.

    2015-06-30

    The CADIS and FW-CADIS hybrid Monte Carlo/deterministic techniques dramatically increase the efficiency of neutronics modeling, but their use in the accurate design analysis of very large and geometrically complex nuclear systems has been limited by the large number of processors and memory requirements for their preliminary deterministic calculations and final Monte Carlo calculation. Three mesh adaptivity algorithms were developed to reduce the memory requirements of CADIS and FW-CADIS without sacrificing their efficiency improvement. First, a macromaterial approach enhances the fidelity of the deterministic models without changing the mesh. Second, a deterministic mesh refinement algorithm generates meshes that capture as muchmore » geometric detail as possible without exceeding a specified maximum number of mesh elements. Finally, a weight window coarsening algorithm decouples the weight window mesh and energy bins from the mesh and energy group structure of the deterministic calculations in order to remove the memory constraint of the weight window map from the deterministic mesh resolution. The three algorithms were used to enhance an FW-CADIS calculation of the prompt dose rate throughout the ITER experimental facility. Using these algorithms resulted in a 23.3% increase in the number of mesh tally elements in which the dose rates were calculated in a 10-day Monte Carlo calculation and, additionally, increased the efficiency of the Monte Carlo simulation by a factor of at least 3.4. The three algorithms enabled this difficult calculation to be accurately solved using an FW-CADIS simulation on a regular computer cluster, eliminating the need for a world-class super computer.« less

  5. Generalized Metropolis acceptance criterion for hybrid non-equilibrium molecular dynamics—Monte Carlo simulations

    SciTech Connect

    Chen, Yunjie; Roux, Benoît

    2015-01-14

    A family of hybrid simulation methods that combines the advantages of Monte Carlo (MC) with the strengths of classical molecular dynamics (MD) consists in carrying out short non-equilibrium MD (neMD) trajectories to generate new configurations that are subsequently accepted or rejected via an MC process. In the simplest case where a deterministic dynamic propagator is used to generate the neMD trajectories, the familiar Metropolis acceptance criterion based on the change in the total energy ΔE, min[1,  exp( − βΔE)], guarantees that the hybrid algorithm will yield the equilibrium Boltzmann distribution. However, the functional form of the acceptance probability is more complex when the non-equilibrium switching process is generated via a non-deterministic stochastic dissipative propagator coupled to a heat bath. Here, we clarify the conditions under which the Metropolis criterion remains valid to rigorously yield a proper equilibrium Boltzmann distribution within hybrid neMD-MC algorithm.

  6. Hybrid nano plasmonics for integrated biosensor

    NASA Astrophysics Data System (ADS)

    Lin, Chii-Wann; Lee, Jun-Haw; Chiu, Nan-Fu; Lee, Szu-Yuan; Liu, Kou-Chen; Tsai, Feng-Yu; Yen, Chia-Yu; Lee, Chun-Nan

    2009-11-01

    SPR biosensor with OLED and nano-grating for HBV LAMP product detection is reported. Directional emissions by grating-coupler match the resonant condition of SP modes. Concentration changes result in color shift at specific angle. Real time detection of virus load down to 5 copies/25 ul can be achieved in 30 minutes. Surface plasmon Resonant (SPR) biosensor has been used for quantitative measurement of molecular interactions for its advantages of high sensitivity, label-free and real-time detection. In this paper, we report recent efforts on further enhancement of SPR biosensors by the heterogeneous integration of organic electroluminescence light source and nano-grating structure for the feasibility study on the fast and high sensitivity detection of HBV isothermal amplification products, Mg2P2O7. We demonstrated the surface plasmon coupled through hybrid nano-grating structure has highly directional emissions corresponding to the resonant condition of surface plasmon modes on the Au/air interface and controllable plasmonics band-gap by pitch modulation. SPGCE resulted in color change from yellowish green to orange at a certain viewing angle, when contacting glucose with concentration increasing from 10 to 40%.

  7. Sampling Enrichment toward Target Structures Using Hybrid Molecular Dynamics-Monte Carlo Simulations

    PubMed Central

    Yang, Kecheng; Różycki, Bartosz; Cui, Fengchao; Shi, Ce; Chen, Wenduo; Li, Yunqi

    2016-01-01

    Sampling enrichment toward a target state, an analogue of the improvement of sampling efficiency (SE), is critical in both the refinement of protein structures and the generation of near-native structure ensembles for the exploration of structure-function relationships. We developed a hybrid molecular dynamics (MD)-Monte Carlo (MC) approach to enrich the sampling toward the target structures. In this approach, the higher SE is achieved by perturbing the conventional MD simulations with a MC structure-acceptance judgment, which is based on the coincidence degree of small angle x-ray scattering (SAXS) intensity profiles between the simulation structures and the target structure. We found that the hybrid simulations could significantly improve SE by making the top-ranked models much closer to the target structures both in the secondary and tertiary structures. Specifically, for the 20 mono-residue peptides, when the initial structures had the root-mean-squared deviation (RMSD) from the target structure smaller than 7 Å, the hybrid MD-MC simulations afforded, on average, 0.83 Å and 1.73 Å in RMSD closer to the target than the parallel MD simulations at 310K and 370K, respectively. Meanwhile, the average SE values are also increased by 13.2% and 15.7%. The enrichment of sampling becomes more significant when the target states are gradually detectable in the MD-MC simulations in comparison with the parallel MD simulations, and provide >200% improvement in SE. We also performed a test of the hybrid MD-MC approach in the real protein system, the results showed that the SE for 3 out of 5 real proteins are improved. Overall, this work presents an efficient way of utilizing solution SAXS to improve protein structure prediction and refinement, as well as the generation of near native structures for function annotation. PMID:27227775

  8. Lazy skip-lists: An algorithm for fast hybridization-expansion quantum Monte Carlo

    NASA Astrophysics Data System (ADS)

    Sémon, P.; Yee, Chuck-Hou; Haule, Kristjan; Tremblay, A.-M. S.

    2014-08-01

    The solution of a generalized impurity model lies at the heart of electronic structure calculations with dynamical mean field theory. In the strongly correlated regime, the method of choice for solving the impurity model is the hybridization-expansion continuous-time quantum Monte Carlo (CT-HYB). Enhancements to the CT-HYB algorithm are critical for bringing new physical regimes within reach of current computational power. Taking advantage of the fact that the bottleneck in the algorithm is a product of hundreds of matrices, we present optimizations based on the introduction and combination of two concepts of more general applicability: (a) skip lists and (b) fast rejection of proposed configurations based on matrix bounds. Considering two very different test cases with d electrons, we find speedups of ˜25 up to ˜500 compared to the direct evaluation of the matrix product. Even larger speedups are likely with f electron systems and with clusters of correlated atoms.

  9. Business Scenario Evaluation Method Using Monte Carlo Simulation on Qualitative and Quantitative Hybrid Model

    NASA Astrophysics Data System (ADS)

    Samejima, Masaki; Akiyoshi, Masanori; Mitsukuni, Koshichiro; Komoda, Norihisa

    We propose a business scenario evaluation method using qualitative and quantitative hybrid model. In order to evaluate business factors with qualitative causal relations, we introduce statistical values based on propagation and combination of effects of business factors by Monte Carlo simulation. In propagating an effect, we divide a range of each factor by landmarks and decide an effect to a destination node based on the divided ranges. In combining effects, we decide an effect of each arc using contribution degree and sum all effects. Through applied results to practical models, it is confirmed that there are no differences between results obtained by quantitative relations and results obtained by the proposed method at the risk rate of 5%.

  10. Hybrid integration process for the development of multisensor chips

    NASA Astrophysics Data System (ADS)

    Jin, Na; Liu, Weiguo

    A novel hybrid integration process had been developed for the integration of single crystal pyroelectric detector with readout IC based on a thinning and anisotropic conduction tape bonding technique. We report our recent progress in applying the hybrid integration process for the fabrication of a multisensor chip with thermal and sound detectors integrated. The sound detector in the multisensor chip is based on thinned single crystal quartz, while the thermal detector in the chip is making use of thinned PLZT ceramic wafer. A membrane transfer process (MTP) was applied for the thinning and integration of the single crystal and ceramic wafers.

  11. Nonnegative Anisotropic Group Cross Sections: A Hybrid Monte Carlo-Discrete Elements-Discrete Ordinates Approach

    SciTech Connect

    DelGrande, J. Mark; Mathews, Kirk A.

    2001-09-15

    Conventional discrete ordinates transport calculations often produce negative fluxes due to unphysical negative scattering cross sections and/or as artifacts of spatial differencing schemes such as diamond difference. Inherently nonnegative spatial methods, such as the nonlinear, exponential characteristic spatial quadrature, eliminate negative fluxes while providing excellent accuracy, presuming the group-to-group, ordinate-to-ordinate cross sections are all nonnegative. A hybrid approach is introduced in which the flow from spatial cell to spatial cell uses discrete ordinates spatial quadratures, while anisotropic scattering of flux from one energy-angle bin (energy group and discrete element of solid angle) to another such bin is modeled using a Monte Carlo simulation to evaluate the bin-to-bin cross sections. The directional elements tile the sphere of directions; the ordinates for the spatial quadrature are at the centroids of the elements. The method is developed and contrasted with previous schemes for positive cross sections. An algorithm for evaluating the Monte Carlo (MC)-discrete elements (MC-DE) cross sections is described, and some test cases are presented. Transport calculations using MC-DE cross sections are compared with calculations using conventional cross sections and with MCNP calculations. In this testing, the new method is about as accurate as the conventional approach, and often is more accurate. The exponential characteristic spatial quadrature, using the MC-DE cross sections, is shown to provide useful results where linear characteristic and spherical harmonics provide negative scalar fluxes in every cell in a region.

  12. A Deterministic-Monte Carlo Hybrid Method for Time-Dependent Neutron Transport Problems

    SciTech Connect

    Justin Pounders; Farzad Rahnema

    2001-10-01

    A new deterministic-Monte Carlo hybrid solution technique is derived for the time-dependent transport equation. This new approach is based on dividing the time domain into a number of coarse intervals and expanding the transport solution in a series of polynomials within each interval. The solutions within each interval can be represented in terms of arbitrary source terms by using precomputed response functions. In the current work, the time-dependent response function computations are performed using the Monte Carlo method, while the global time-step march is performed deterministically. This work extends previous work by coupling the time-dependent expansions to space- and angle-dependent expansions to fully characterize the 1D transport response/solution. More generally, this approach represents and incremental extension of the steady-state coarse-mesh transport method that is based on global-local decompositions of large neutron transport problems. An example of a homogeneous slab is discussed as an example of the new developments.

  13. Hybrid Monte Carlo approach to the entanglement entropy of interacting fermions

    NASA Astrophysics Data System (ADS)

    Drut, Joaquín E.; Porter, William J.

    2015-09-01

    The Monte Carlo calculation of Rényi entanglement entropies Sn of interacting fermions suffers from a well-known signal-to-noise problem, even for a large number of situations in which the infamous sign problem is absent. A few methods have been proposed to overcome this issue, such as ensemble switching and the use of auxiliary partition-function ratios. Here, we present an approach that builds on the recently proposed free-fermion decomposition method; it incorporates entanglement in the probability measure in a natural way; it takes advantage of the hybrid Monte Carlo algorithm (an essential tool in lattice quantum chromodynamics and other gauge theories with dynamical fermions); and it does not suffer from noise problems. This method displays no sign problem for the same cases as other approaches and is therefore useful for a wide variety of systems. As a proof of principle, we calculate S2 for the one-dimensional, half-filled Hubbard model and compare with results from exact diagonalization and the free-fermion decomposition method.

  14. Hybrid integrated optics in volume holographic photopolymer

    NASA Astrophysics Data System (ADS)

    McLeod, Robert R.; Sullivan, Amy C.; Grabowski, Matthew W.; Scott, Timothy F.

    2004-10-01

    Traditional planar lightwave circuits fabricated from lithographically-patterned waveguides in glasses, semi-conductors or polymers cannot accommodate the wide range of materials required by typical optical devices. In addition, such waveguides are nearly always defined in the material surface and thus can support only a limited density of interconnects and suffer poor performance at waveguide crossings. Furthermore, the inflexibility of lithographic approaches - including both waveguides and "silicon-bench" methods - requires optical sub-components with unreasonable and expensive tolerances. We propose an alternative integrated optics platform based on 3D direct-write lithography into an optically addressable encapsulant. Arbitrary micro-optics are first embedded in a liquid monomer which is then cured into a semi-solid pre-polymer. It is essential that this step take place with minimal shrinkage to avoid stresses. A scanning confocal microscope then nondestructively identifies the component locations and their tolerances. The controller customizes the circuit design to accommodate these tolerances and then scans a 0.3 to 0.6 NA focus within the volume of the holographic polymer to create waveguides, lenses or other passive interconnects with one micron resolution. A final incoherent exposure cures and solidifies the polymer, finishing the process. The resulting hybrid optoelectronic circuits contain 3D routed waveguides interconnecting active and passive micro-optic devices in environmentally robust, hermetically sealed packages. A feature of particular interest is the ability to write waveguides directly off of the tips of embedded fibers, passively interfacing the circuits to fiber. We show that polymers developed for holographic data storage have the properties required for this application.

  15. Feasibility of a Monte Carlo-deterministic hybrid method for fast reactor analysis

    SciTech Connect

    Heo, W.; Kim, W.; Kim, Y.; Yun, S.

    2013-07-01

    A Monte Carlo and deterministic hybrid method is investigated for the analysis of fast reactors in this paper. Effective multi-group cross sections data are generated using a collision estimator in the MCNP5. A high order Legendre scattering cross section data generation module was added into the MCNP5 code. Both cross section data generated from MCNP5 and TRANSX/TWODANT using the homogeneous core model were compared, and were applied to DIF3D code for fast reactor core analysis of a 300 MWe SFR TRU burner core. For this analysis, 9 groups macroscopic-wise data was used. In this paper, a hybrid calculation MCNP5/DIF3D was used to analyze the core model. The cross section data was generated using MCNP5. The k{sub eff} and core power distribution were calculated using the 54 triangle FDM code DIF3D. A whole core calculation of the heterogeneous core model using the MCNP5 was selected as a reference. In terms of the k{sub eff}, 9-group MCNP5/DIF3D has a discrepancy of -154 pcm from the reference solution, 9-group TRANSX/TWODANT/DIF3D analysis gives -1070 pcm discrepancy. (authors)

  16. Plug-in integrated/hybrid circuit

    NASA Technical Reports Server (NTRS)

    Stringer, E. J.

    1974-01-01

    Hybrid circuitry can be installed into standard round bayonet connectors, to eliminate wiring from connector to circuit. Circuits can be connected directly into either section of connector pair, eliminating need for hard wiring to that section.

  17. Improved Hybrid Monte Carlo/n-Moment Transport Equations Model for the Polar Wind

    NASA Astrophysics Data System (ADS)

    Barakat, A. R.; Ji, J.; Schunk, R. W.

    2013-12-01

    In many space plasma problems (e.g. terrestrial polar wind, solar wind, etc.), the plasma gradually evolves from dense collision-dominated into rarified collisionless conditions. For decades, numerous attempts were made in order to address this type of problem using simulations based on one of two approaches. These approaches are: (1) the (fluid-like) Generalized Transport Equations, GTE, and (2) the particle-based Monte Carlo (MC) techniques. In contrast to the computationally intensive MC, the GTE approach can be considerably more efficient but its validity is questionable outside the collision-dominated region depending on the number of transport parameters considered. There have been several attempts to develop hybrid models that combine the strengths of both approaches. In particular, low-order GTE formulations were applied within the collision-dominated region, while an MC simulation was applied within the collisionless region and in the collisional-to-collisionless transition region. However, attention must be paid to assuring the consistency of the two approaches in the region where they are matched. Contrary to all previous studies, our model pays special attention to the ';matching' issue, and hence eliminates the discontinuities/inaccuracies associated with mismatching. As an example, we applied our technique to the Coulomb-Milne problem because of its relevance to the problem of space plasma flow from high- to low-density regions. We will compare the velocity distribution function and its moments (density, flow velocity, temperature, etc.) from the following models: (1) the pure MC model, (2) our hybrid model, and (3) previously published hybrid models. We will also consider a wide range of the test-to-background mass ratio.

  18. Path-integral Monte Carlo study of asymmetric quantum quadrupolar rotors with fourth-order propagators

    NASA Astrophysics Data System (ADS)

    Park, Sungjin; Shin, Hyeondeok; Kwon, Yongkyung

    2012-08-01

    The recently-proposed fourth-order propagator based on the multi-product expansion has been applied to path-integral Monte Carlo calculations for asymmetric quantum quadruploar rotors fixed at face-centered cubic lattice sites. The rotors are observed to undergo an orientational orderdisorder phase transition at a low temperature when the electric quadrupole-quadrupole interaction is strong enough. At intermediate interaction strength, a further decrease of temperature after the first transition to the ordered phase results in a reentrant transition back to the disordered phase. The theoretical phase diagram of these asymmetric rotors determined by using fourth-order path-integral Monte Carlo calculations is found to be in good quantitative agreement with the experimental one for solid hydrogen deuteride. This leads us to conclude that the fourth-order propagator can be effectively implemented for an accurate path-integral Monte Carlo calculation of a quantum many-body system with rotational degrees of freedom.

  19. Hybrid Monte Carlo-Diffusion Method For Light Propagation in Tissue With a Low-Scattering Region

    NASA Astrophysics Data System (ADS)

    Hayashi, Toshiyuki; Kashio, Yoshihiko; Okada, Eiji

    2003-06-01

    The heterogeneity of the tissues in a head, especially the low-scattering cerebrospinal fluid (CSF) layer surrounding the brain has previously been shown to strongly affect light propagation in the brain. The radiosity-diffusion method, in which the light propagation in the CSF layer is assumed to obey the radiosity theory, has been employed to predict the light propagation in head models. Although the CSF layer is assumed to be a nonscattering region in the radiosity-diffusion method, fine arachnoid trabeculae cause faint scattering in the CSF layer in real heads. A novel approach, the hybrid Monte Carlo-diffusion method, is proposed to calculate the head models, including the low-scattering region in which the light propagation does not obey neither the diffusion approximation nor the radiosity theory. The light propagation in the high-scattering region is calculated by means of the diffusion approximation solved by the finite-element method and that in the low-scattering region is predicted by the Monte Carlo method. The intensity and mean time of flight of the detected light for the head model with a low-scattering CSF layer calculated by the hybrid method agreed well with those by the Monte Carlo method, whereas the results calculated by means of the diffusion approximation included considerable error caused by the effect of the CSF layer. In the hybrid method, the time-consuming Monte Carlo calculation is employed only for the thin CSF layer, and hence, the computation time of the hybrid method is dramatically shorter than that of the Monte Carlo method.

  20. Hybrid Monte Carlo-diffusion method for light propagation in tissue with a low-scattering region.

    PubMed

    Hayashi, Toshiyuki; Kashio, Yoshihiko; Okada, Eiji

    2003-06-01

    The heterogeneity of the tissues in a head, especially the low-scattering cerebrospinal fluid (CSF) layer surrounding the brain has previously been shown to strongly affect light propagation in the brain. The radiosity-diffusion method, in which the light propagation in the CSF layer is assumed to obey the radiosity theory, has been employed to predict the light propagation in head models. Although the CSF layer is assumed to be a nonscattering region in the radiosity-diffusion method, fine arachnoid trabeculae cause faint scattering in the CSF layer in real heads. A novel approach, the hybrid Monte Carlo-diffusion method, is proposed to calculate the head models, including the low-scattering region in which the light propagation does not obey neither the diffusion approximation nor the radiosity theory. The light propagation in the high-scattering region is calculated by means of the diffusion approximation solved by the finite-element method and that in the low-scattering region is predicted by the Monte Carlo method. The intensity and mean time of flight of the detected light for the head model with a low-scattering CSF layer calculated by the hybrid method agreed well with those by the Monte Carlo method, whereas the results calculated by means of the diffusion approximation included considerable error caused by the effect of the CSF layer. In the hybrid method, the time-consuming Monte Carlo calculation is employed only for the thin CSF layer, and hence, the computation time of the hybrid method is dramatically shorter than that of the Monte Carlo method. PMID:12790437

  1. Kinetic-MHD hybrid equilibrium model using a Monte-Carlo calculation of runaway electron distribution function

    NASA Astrophysics Data System (ADS)

    Matsuyama, Akinobu; Aiba, Nobuyuki; Yagi, Masatoshi

    2015-11-01

    An axisymmetric MHD equilibrium model is studied to allow the inclusion of both beam inertia and energy spectrum for runaway electron beam. Following kinetic-MHD hybrid approach, we evaluate the RE beam current from the integrals of the RE distribution function. The distribution function is here evaluated by a relativistic guiding-center trace code ETC-Rel, where we have implemented the effects of collisions, radiations, and exponential growth into the code. Because to directly treat the Dreicer mechanism in particle simulations is time consuming, the primary RE source is modeled by a Monte-Carlo weighing scheme taking into account the instantaneous generation rate. This paper applies ETC-Rel to the parametric study of the MHD equilibrium with different RE beam parameters. Kinetic effects on the MHD equilibrium appears, e.g., as enhanced Shafranov shifts due to the inertia of highly relativistic electrons. A kinetic modification to the equilibrium becomes significant if the contribution of the beam inertia - being increased with the total electron mass of multi-MeV RE populations - becomes large enough to affect the radial force balance. This work was supported in part by MEXT KAKENHI Grant No. 23561009 and 26820404.

  2. Solution of the Bartels-Kwiecinski-Praszalowicz equation via Monte Carlo integration

    NASA Astrophysics Data System (ADS)

    Chachamis, Grigorios; Sabio Vera, Agustín

    2016-08-01

    We present a method of solution of the Bartels-Kwiecinski-Praszalowicz (BKP) equation based on the numerical integration of iterated integrals in transverse momentum and rapidity space. As an application, our procedure, which makes use of Monte Carlo integration techniques, is applied to obtain the gluon Green function in the Odderon case at leading order. The same approach can be used for more complicated scenarios.

  3. The integration of improved Monte Carlo compton scattering algorithms into the Integrated TIGER Series.

    SciTech Connect

    Quirk, Thomas, J., IV

    2004-08-01

    The Integrated TIGER Series (ITS) is a software package that solves coupled electron-photon transport problems. ITS performs analog photon tracking for energies between 1 keV and 1 GeV. Unlike its deterministic counterpart, the Monte Carlo calculations of ITS do not require a memory-intensive meshing of phase space; however, its solutions carry statistical variations. Reducing these variations is heavily dependent on runtime. Monte Carlo simulations must therefore be both physically accurate and computationally efficient. Compton scattering is the dominant photon interaction above 100 keV and below 5-10 MeV, with higher cutoffs occurring in lighter atoms. In its current model of Compton scattering, ITS corrects the differential Klein-Nishina cross sections (which assumes a stationary, free electron) with the incoherent scattering function, a function dependent on both the momentum transfer and the atomic number of the scattering medium. While this technique accounts for binding effects on the scattering angle, it excludes the Doppler broadening the Compton line undergoes because of the momentum distribution in each bound state. To correct for these effects, Ribbefor's relativistic impulse approximation (IA) will be employed to create scattering cross section differential in both energy and angle for each element. Using the parameterizations suggested by Brusa et al., scattered photon energies and angle can be accurately sampled at a high efficiency with minimal physical data. Two-body kinematics then dictates the electron's scattered direction and energy. Finally, the atomic ionization is relaxed via Auger emission or fluorescence. Future work will extend these improvements in incoherent scattering to compounds and to adjoint calculations.

  4. QYMSYM: A GPU-accelerated hybrid symplectic integrator

    NASA Astrophysics Data System (ADS)

    Moore, Alexander; Quillen, Alice C.

    2012-10-01

    QYMSYM is a GPU accelerated 2nd order hybrid symplectic integrator that identifies close approaches between particles and switches from symplectic to Hermite algorithms for particles that require higher resolution integrations. This is a parallel code running with CUDA on a video card that puts the many processors on board to work while taking advantage of fast shared memory.

  5. Wavelet-Monte Carlo Hybrid System for HLW Nuclide Migration Modeling and Sensitivity and Uncertainty Analysis

    SciTech Connect

    Nasif, Hesham; Neyama, Atsushi

    2003-02-26

    This paper presents results of an uncertainty and sensitivity analysis for performance of the different barriers of high level radioactive waste repositories. SUA is a tool to perform the uncertainty and sensitivity on the output of Wavelet Integrated Repository System model (WIRS), which is developed to solve a system of nonlinear partial differential equations arising from the model formulation of radionuclide transport through repository. SUA performs sensitivity analysis (SA) and uncertainty analysis (UA) on a sample output from Monte Carlo simulation. The sample is generated by WIRS and contains the values of the output values of the maximum release rate in the form of time series and values of the input variables for a set of different simulations (runs), which are realized by varying the model input parameters. The Monte Carlo sample is generated with SUA as a pure random sample or using Latin Hypercube sampling technique. Tchebycheff and Kolmogrov confidence bounds are compute d on the maximum release rate for UA and effective non-parametric statistics to rank the influence of the model input parameters SA. Based on the results, we point out parameters that have primary influences on the performance of the engineered barrier system of a repository. The parameters found to be key contributor to the release rate are selenium and Cesium distribution coefficients in both geosphere and major water conducting fault (MWCF), the diffusion depth and water flow rate in the excavation-disturbed zone (EDZ).

  6. New hybrid voxelized/analytical primitive in Monte Carlo simulations for medical applications

    NASA Astrophysics Data System (ADS)

    Bert, Julien; Lemaréchal, Yannick; Visvikis, Dimitris

    2016-05-01

    Monte Carlo simulations (MCS) applied in particle physics play a key role in medical imaging and particle therapy. In such simulations, particles are transported through voxelized phantoms derived from predominantly patient CT images. However, such voxelized object representation limits the incorporation of fine elements, such as artificial implants from CAD modeling or anatomical and functional details extracted from other imaging modalities. In this work we propose a new hYbrid Voxelized/ANalytical primitive (YVAN) that combines both voxelized and analytical object descriptions within the same MCS, without the need to simultaneously run two parallel simulations, which is the current gold standard methodology. Given that YVAN is simply a new primitive object, it does not require any modifications on the underlying MC navigation code. The new proposed primitive was assessed through a first simple MCS. Results from the YVAN primitive were compared against an MCS using a pure analytical geometry and the layer mass geometry concept. A perfect agreement was found between these simulations, leading to the conclusion that the new hybrid primitive is able to accurately and efficiently handle phantoms defined by a mixture of voxelized and analytical objects. In addition, two application-based evaluation studies in coronary angiography and intra-operative radiotherapy showed that the use of YVAN was 6.5% and 12.2% faster than the layered mass geometry method, respectively, without any associated loss of accuracy. However, the simplification advantages and differences in computational time improvements obtained with YVAN depend on the relative proportion of the analytical and voxelized structures used in the simulation as well as the size and number of triangles used in the description of the analytical object meshes.

  7. Constant-pH Hybrid Nonequilibrium Molecular Dynamics-Monte Carlo Simulation Method.

    PubMed

    Chen, Yunjie; Roux, Benoît

    2015-08-11

    A computational method is developed to carry out explicit solvent simulations of complex molecular systems under conditions of constant pH. In constant-pH simulations, preidentified ionizable sites are allowed to spontaneously protonate and deprotonate as a function of time in response to the environment and the imposed pH. The method, based on a hybrid scheme originally proposed by H. A. Stern (J. Chem. Phys. 2007, 126, 164112), consists of carrying out short nonequilibrium molecular dynamics (neMD) switching trajectories to generate physically plausible configurations with changed protonation states that are subsequently accepted or rejected according to a Metropolis Monte Carlo (MC) criterion. To ensure microscopic detailed balance arising from such nonequilibrium switches, the atomic momenta are altered according to the symmetric two-ends momentum reversal prescription. To achieve higher efficiency, the original neMD-MC scheme is separated into two steps, reducing the need for generating a large number of unproductive and costly nonequilibrium trajectories. In the first step, the protonation state of a site is randomly attributed via a Metropolis MC process on the basis of an intrinsic pKa; an attempted nonequilibrium switch is generated only if this change in protonation state is accepted. This hybrid two-step inherent pKa neMD-MC simulation method is tested with single amino acids in solution (Asp, Glu, and His) and then applied to turkey ovomucoid third domain and hen egg-white lysozyme. Because of the simple linear increase in the computational cost relative to the number of titratable sites, the present method is naturally able to treat extremely large systems. PMID:26300709

  8. New hybrid voxelized/analytical primitive in Monte Carlo simulations for medical applications.

    PubMed

    Bert, Julien; Lemaréchal, Yannick; Visvikis, Dimitris

    2016-05-01

    Monte Carlo simulations (MCS) applied in particle physics play a key role in medical imaging and particle therapy. In such simulations, particles are transported through voxelized phantoms derived from predominantly patient CT images. However, such voxelized object representation limits the incorporation of fine elements, such as artificial implants from CAD modeling or anatomical and functional details extracted from other imaging modalities. In this work we propose a new hYbrid Voxelized/ANalytical primitive (YVAN) that combines both voxelized and analytical object descriptions within the same MCS, without the need to simultaneously run two parallel simulations, which is the current gold standard methodology. Given that YVAN is simply a new primitive object, it does not require any modifications on the underlying MC navigation code. The new proposed primitive was assessed through a first simple MCS. Results from the YVAN primitive were compared against an MCS using a pure analytical geometry and the layer mass geometry concept. A perfect agreement was found between these simulations, leading to the conclusion that the new hybrid primitive is able to accurately and efficiently handle phantoms defined by a mixture of voxelized and analytical objects. In addition, two application-based evaluation studies in coronary angiography and intra-operative radiotherapy showed that the use of YVAN was 6.5% and 12.2% faster than the layered mass geometry method, respectively, without any associated loss of accuracy. However, the simplification advantages and differences in computational time improvements obtained with YVAN depend on the relative proportion of the analytical and voxelized structures used in the simulation as well as the size and number of triangles used in the description of the analytical object meshes. PMID:27032813

  9. Optimized molecular reconstruction procedure combining hybrid reverse Monte Carlo and molecular dynamics

    NASA Astrophysics Data System (ADS)

    Bousige, Colin; BoÅ£an, Alexandru; Ulm, Franz-Josef; Pellenq, Roland J.-M.; Coasne, Benoît

    2015-03-01

    We report an efficient atom-scale reconstruction method that consists of combining the Hybrid Reverse Monte Carlo algorithm (HRMC) with Molecular Dynamics (MD) in the framework of a simulated annealing technique. In the spirit of the experimentally constrained molecular relaxation technique [Biswas et al., Phys. Rev. B 69, 195207 (2004)], this modified procedure offers a refined strategy in the field of reconstruction techniques, with special interest for heterogeneous and disordered solids such as amorphous porous materials. While the HRMC method generates physical structures, thanks to the use of energy penalties, the combination with MD makes the method at least one order of magnitude faster than HRMC simulations to obtain structures of similar quality. Furthermore, in order to ensure the transferability of this technique, we provide rational arguments to select the various input parameters such as the relative weight ω of the energy penalty with respect to the structure optimization. By applying the method to disordered porous carbons, we show that adsorption properties provide data to test the global texture of the reconstructed sample but are only weakly sensitive to the presence of defects. In contrast, the vibrational properties such as the phonon density of states are found to be very sensitive to the local structure of the sample.

  10. Optimized molecular reconstruction procedure combining hybrid reverse Monte Carlo and molecular dynamics

    SciTech Connect

    Bousige, Colin; Boţan, Alexandru; Coasne, Benoît; Ulm, Franz-Josef; Pellenq, Roland J.-M.

    2015-03-21

    We report an efficient atom-scale reconstruction method that consists of combining the Hybrid Reverse Monte Carlo algorithm (HRMC) with Molecular Dynamics (MD) in the framework of a simulated annealing technique. In the spirit of the experimentally constrained molecular relaxation technique [Biswas et al., Phys. Rev. B 69, 195207 (2004)], this modified procedure offers a refined strategy in the field of reconstruction techniques, with special interest for heterogeneous and disordered solids such as amorphous porous materials. While the HRMC method generates physical structures, thanks to the use of energy penalties, the combination with MD makes the method at least one order of magnitude faster than HRMC simulations to obtain structures of similar quality. Furthermore, in order to ensure the transferability of this technique, we provide rational arguments to select the various input parameters such as the relative weight ω of the energy penalty with respect to the structure optimization. By applying the method to disordered porous carbons, we show that adsorption properties provide data to test the global texture of the reconstructed sample but are only weakly sensitive to the presence of defects. In contrast, the vibrational properties such as the phonon density of states are found to be very sensitive to the local structure of the sample.

  11. Neutral depletion in inductively coupled plasmas using hybrid-type direct simulation Monte Carlo

    SciTech Connect

    Shimada, Masashi; Tynan, George R.; Cattolica, Robert

    2008-02-01

    Neutral and ion transport phenomena were simulated by a hybrid-type direct simulation Monte Carlo (DSMC) method for a one-dimensional (1D) electrostatic plasma in Ar/N{sub 2} mixtures to identify the mechanism of neutral depletion. The results show that gas heating and pressure balance are the main mechanisms of neutral depletion in an inductively coupled plasma. When plasma pressure becomes comparable to neutral pressure in high density plasma sources (T{sub e}{approx}2-5 eV, n{sub e}{approx}10{sup 11}-10{sup 12} cm{sup -3}), the total pressure (neutral pressure and plasma pressure) is conserved. Therefore, the finite plasma pressure (mainly electron pressure) reduces the neutral pressure. Neutrals collide with ions that have been accelerated by the ambipolar electric field and with Franck-Condon dissociated atoms, resulting in gas heating. Significant neutral depletion (up to 90%) is found at the typical condition of inductively coupled plasma process reactors. The resulting neutral depletion enhances the plasma transport to the surrounding wall, increases the particle loss, and decreases the plasma density.

  12. Development of Subspace-based Hybrid Monte Carlo-Deterministric Algorithms for Reactor Physics Calculations

    SciTech Connect

    Abdel-Khalik, Hany S.; Zhang, Qiong

    2014-05-20

    The development of hybrid Monte-Carlo-Deterministic (MC-DT) approaches, taking place over the past few decades, have primarily focused on shielding and detection applications where the analysis requires a small number of responses, i.e. at the detector locations(s). This work further develops a recently introduced global variance reduction approach, denoted by the SUBSPACE approach is designed to allow the use of MC simulation, currently limited to benchmarking calculations, for routine engineering calculations. By way of demonstration, the SUBSPACE approach is applied to assembly level calculations used to generate the few-group homogenized cross-sections. These models are typically expensive and need to be executed in the order of 103 - 105 times to properly characterize the few-group cross-sections for downstream core-wide calculations. Applicability to k-eigenvalue core-wide models is also demonstrated in this work. Given the favorable results obtained in this work, we believe the applicability of the MC method for reactor analysis calculations could be realized in the near future.

  13. Molecular dynamics and Monte Carlo hybrid simulation for fuzzy tungsten nanostructure formation

    NASA Astrophysics Data System (ADS)

    Ito, A. M.; Takayama, A.; Oda, Y.; Tamura, T.; Kobayashi, R.; Hattori, T.; Ogata, S.; Ohno, N.; Kajita, S.; Yajima, M.; Noiri, Y.; Yoshimoto, Y.; Saito, S.; Takamura, S.; Murashima, T.; Miyamoto, M.; Nakamura, H.

    2015-07-01

    For the purposes of long-term use of tungsten divertor walls, the formation process of the fuzzy tungsten nanostructure induced by exposure to the helium plasma was studied. In the present paper, the fuzzy nanostructure's formation has been successfully reproduced by the new hybrid simulation method in which the deformation of the tungsten material due to pressure of the helium bubbles was simulated by the molecular dynamics and the diffusion of the helium atoms was simulated by the random walk based on the Monte Carlo method. By the simulation results, the surface height of the fuzzy nanostructure increased only when helium retention was under the steady state. It was proven that the growth of the fuzzy nanostructure was brought about by bursting of the helium bubbles. Moreover, we suggest the following key formation mechanisms of the fuzzy nanostructure: (1) lifting in which the surface lifted up by the helium bubble changes into a convexity, (2) bursting by which the region of the helium bubble changes into a concavity, and (3) the difference of the probability of helium retention by which the helium bubbles tend to appear under the concavity. Consequently, the convex-concave surface structure was enhanced and grew to create the fuzzy nanostructure.

  14. HRMC_2.1: Hybrid Reverse Monte Carlo method with silicon, carbon, germanium and silicon carbide potentials

    NASA Astrophysics Data System (ADS)

    Opletal, G.; Petersen, T. C.; Russo, S. P.

    2014-06-01

    The Hybrid Reverse Monte Carlo (HRMC) code models the atomic structure of materials via the use of a combination of constraints including experimental diffraction data and an empirical energy potential. In this version 2.1 update, an empirical potential for silicon-carbide has been added to the code along with an experimentally motivated constraint on the bond type fraction applicable to systems containing multiple elements.

  15. The Development and Diagnostic Evaluation of the Monte Carlo Integration Computer as a Teaching Aid.

    ERIC Educational Resources Information Center

    Wood, Dean A.

    This document outlines the operation of the Monte Carlo Integration Computer (MCIC), which is capable of simulating several types of chemical processes. Some data obtained through the MCIC simulation of physical processes are presented in graphs. After giving reasons for not using the initially contemplated summative research procedures for…

  16. A two-dimensional simulation of the GEC RF reference cell using a hybrid fluid-Monte Carlo method

    SciTech Connect

    Pak, H.; Riley, M.E.

    1992-12-01

    A two-dimensional fluid-Monte Carlo hybrid model is used to simulate the GEC reference cell. The 2-D model assumes azimuthal symmetry and accounts for the ground shield about the electrodes as well as the grounded chamber walls. The hybrid model consists of a Monte Carlo method for generating rates and a fluid model for transporting electrons and ions. In the fluid model, the electrons are transported using the continuity equation; and the electric fields are solved self-consistently using Poisson`s equation. The Monte Carlo model transports electrons using the fluid-generated periodic electric field. The ionization rates are then obtained using the electron energy distribution function. An averaging method is used to speed the solution by transporting the ions in a time-averaged electric field with a corrected ambipolar-type diffusion. The simulation switches between the conventional and the averaging fluid model. Typically, the simulation runs from 10`s to 100`s of averaging fluid cycles before reentering the conventional fluid model for 10`s of cycles. Speed increases of a factor of 100 are possible.

  17. Integration within the Felsenstein equation for improved Markov chain Monte Carlo methods in population genetics

    PubMed Central

    Hey, Jody; Nielsen, Rasmus

    2007-01-01

    In 1988, Felsenstein described a framework for assessing the likelihood of a genetic data set in which all of the possible genealogical histories of the data are considered, each in proportion to their probability. Although not analytically solvable, several approaches, including Markov chain Monte Carlo methods, have been developed to find approximate solutions. Here, we describe an approach in which Markov chain Monte Carlo simulations are used to integrate over the space of genealogies, whereas other parameters are integrated out analytically. The result is an approximation to the full joint posterior density of the model parameters. For many purposes, this function can be treated as a likelihood, thereby permitting likelihood-based analyses, including likelihood ratio tests of nested models. Several examples, including an application to the divergence of chimpanzee subspecies, are provided. PMID:17301231

  18. Integration within the Felsenstein equation for improved Markov chain Monte Carlo methods in population genetics.

    PubMed

    Hey, Jody; Nielsen, Rasmus

    2007-02-20

    In 1988, Felsenstein described a framework for assessing the likelihood of a genetic data set in which all of the possible genealogical histories of the data are considered, each in proportion to their probability. Although not analytically solvable, several approaches, including Markov chain Monte Carlo methods, have been developed to find approximate solutions. Here, we describe an approach in which Markov chain Monte Carlo simulations are used to integrate over the space of genealogies, whereas other parameters are integrated out analytically. The result is an approximation to the full joint posterior density of the model parameters. For many purposes, this function can be treated as a likelihood, thereby permitting likelihood-based analyses, including likelihood ratio tests of nested models. Several examples, including an application to the divergence of chimpanzee subspecies, are provided. PMID:17301231

  19. ACCELERATING FUSION REACTOR NEUTRONICS MODELING BY AUTOMATIC COUPLING OF HYBRID MONTE CARLO/DETERMINISTIC TRANSPORT ON CAD GEOMETRY

    SciTech Connect

    Biondo, Elliott D; Ibrahim, Ahmad M; Mosher, Scott W; Grove, Robert E

    2015-01-01

    Detailed radiation transport calculations are necessary for many aspects of the design of fusion energy systems (FES) such as ensuring occupational safety, assessing the activation of system components for waste disposal, and maintaining cryogenic temperatures within superconducting magnets. Hybrid Monte Carlo (MC)/deterministic techniques are necessary for this analysis because FES are large, heavily shielded, and contain streaming paths that can only be resolved with MC. The tremendous complexity of FES necessitates the use of CAD geometry for design and analysis. Previous ITER analysis has required the translation of CAD geometry to MCNP5 form in order to use the AutomateD VAriaNce reducTion Generator (ADVANTG) for hybrid MC/deterministic transport. In this work, ADVANTG was modified to support CAD geometry, allowing hybrid (MC)/deterministic transport to be done automatically and eliminating the need for this translation step. This was done by adding a new ray tracing routine to ADVANTG for CAD geometries using the Direct Accelerated Geometry Monte Carlo (DAGMC) software library. This new capability is demonstrated with a prompt dose rate calculation for an ITER computational benchmark problem using both the Consistent Adjoint Driven Importance Sampling (CADIS) method an the Forward Weighted (FW)-CADIS method. The variance reduction parameters produced by ADVANTG are shown to be the same using CAD geometry and standard MCNP5 geometry. Significant speedups were observed for both neutrons (as high as a factor of 7.1) and photons (as high as a factor of 59.6).

  20. SU-E-T-117: Dose to Organs Outside of CT Scan Range- Monte Carlo and Hybrid Phantom Approach

    SciTech Connect

    Pelletier, C; Jung, J; Lee, C; Kim, J; Lee, C

    2014-06-01

    Purpose: Epidemiological study of second cancer risk for cancer survivors often requires the dose to normal tissues located outside the anatomy covered by radiological imaging, which is usually limited to tumor and organs at risk. We have investigated the feasibility of using whole body computational human phantoms for estimating out-of-field organ doses for patients treated by Intensity Modulated Radiation Therapy (IMRT). Methods: Identical 7-field IMRT prostate plans were performed using X-ray Voxel Monte Carlo (XVMC), a radiotherapy-specific Monte Carlo transport code, on the computed tomography (CT) images of the torso of an adult male patient (175 cm height, 66 kg weight) and an adult male hybrid computational phantom with the equivalent body size. Dose to the liver, right lung, and left lung were calculated and compared. Results: Considerable differences are seen between the doses calculated by XVMC for the patient CT and the hybrid phantom. One major contributing factor is the treatment method, deep inspiration breath hold (DIBH), used for this patient. This leads to significant differences in the organ position relative to the treatment isocenter. The transverse distances from the treatment isocenter to the inferior border of the liver, left lung, and right lung are 19.5cm, 29.5cm, and 30.0cm, respectively for the patient CT, compared with 24.3cm, 36.6cm, and 39.1cm, respectively, for the hybrid phantom. When corrected for the distance, the mean doses calculated using the hybrid phantom are within 28% of those calculated using the patient CT. Conclusion: This study showed that mean dose to the organs located in the missing CT coverage can be reconstructed by using whole body computational human phantoms within reasonable dosimetric uncertainty, however appropriate corrections may be necessary if the patient is treated with a technique that will significantly deform the size or location of the organs relative to the hybrid phantom.

  1. Integrated Hybrid System Architecture for Risk Analysis

    NASA Technical Reports Server (NTRS)

    Moynihan, Gary P.; Fonseca, Daniel J.; Ray, Paul S.

    2010-01-01

    A conceptual design has been announced of an expert-system computer program, and the development of a prototype of the program, intended for use as a project-management tool. The program integrates schedule and risk data for the purpose of determining the schedule applications of safety risks and, somewhat conversely, the effects of changes in schedules on changes on safety. It is noted that the design has been delivered to a NASA client and that it is planned to disclose the design in a conference presentation.

  2. The use of hybrid integrated circuit techniques in biotelemetry applications

    NASA Technical Reports Server (NTRS)

    Fryer, T. B.

    1977-01-01

    A review is presented of some features of hybrid integrated circuits that make their use advantageous in miniature biotelemetry applications. The various techniques for fabricating resistors, capacitors and interconnections by both thin film and thick film technology are discussed. The use of chip capacitors, resistors, and especially standard IC chips on substrates with fired-on interconnection patterns is emphasized. The review is designed primarily to acquaint biotelemetry users and designers with an overview of this fabrication technique so that they can better communicate their needs with an understanding of its limitations and advantages to facilities specializing in hybrid construction.

  3. Worm algorithm and diagrammatic Monte Carlo: A new approach to continuous-space path integral Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Boninsegni, M.; Prokof'Ev, N. V.; Svistunov, B. V.

    2006-09-01

    A detailed description is provided of a new worm algorithm, enabling the accurate computation of thermodynamic properties of quantum many-body systems in continuous space, at finite temperature. The algorithm is formulated within the general path integral Monte Carlo (PIMC) scheme, but also allows one to perform quantum simulations in the grand canonical ensemble, as well as to compute off-diagonal imaginary-time correlation functions, such as the Matsubara Green function, simultaneously with diagonal observables. Another important innovation consists of the expansion of the attractive part of the pairwise potential energy into elementary (diagrammatic) contributions, which are then statistically sampled. This affords a complete microscopic account of the long-range part of the potential energy, while keeping the computational complexity of all updates independent of the size of the simulated system. The computational scheme allows for efficient calculations of the superfluid fraction and off-diagonal correlations in space-time, for system sizes which are orders of magnitude larger than those accessible to conventional PIMC. We present illustrative results for the superfluid transition in bulk liquid He4 in two and three dimensions, as well as the calculation of the chemical potential of hcp He4 .

  4. Permutation blocking path integral Monte Carlo approach to the uniform electron gas at finite temperature.

    PubMed

    Dornheim, Tobias; Schoof, Tim; Groth, Simon; Filinov, Alexey; Bonitz, Michael

    2015-11-28

    The uniform electron gas (UEG) at finite temperature is of high current interest due to its key relevance for many applications including dense plasmas and laser excited solids. In particular, density functional theory heavily relies on accurate thermodynamic data for the UEG. Until recently, the only existing first-principle results had been obtained for N = 33 electrons with restricted path integral Monte Carlo (RPIMC), for low to moderate density, rs=r¯/aB≳1. These data have been complemented by configuration path integral Monte Carlo (CPIMC) simulations for rs ≤ 1 that substantially deviate from RPIMC towards smaller rs and low temperature. In this work, we present results from an independent third method-the recently developed permutation blocking path integral Monte Carlo (PB-PIMC) approach [T. Dornheim et al., New J. Phys. 17, 073017 (2015)] which we extend to the UEG. Interestingly, PB-PIMC allows us to perform simulations over the entire density range down to half the Fermi temperature (θ = kBT/EF = 0.5) and, therefore, to compare our results to both aforementioned methods. While we find excellent agreement with CPIMC, where results are available, we observe deviations from RPIMC that are beyond the statistical errors and increase with density. PMID:26627944

  5. 3D integrated hybrid silicon laser.

    PubMed

    Song, Bowen; Stagarescu, Cristian; Ristic, Sasa; Behfar, Alex; Klamkin, Jonathan

    2016-05-16

    Lasers were realized on silicon by flip-chip bonding of indium phosphide (InP) devices containing total internal reflection turning mirrors for surface emission. Light is coupled to the silicon waveguides through surface grating couplers. With this technique, InP lasers were integrated on silicon. Laser cavities were also formed by coupling InP reflective semiconductor optical amplifiers to microring resonator filters and distributed Bragg reflector mirrors. Single-mode continuous wave lasing was demonstrated with a side mode suppression ratio of 30 dB. Up to 2 mW of optical power was coupled to the silicon waveguide. Thermal simulations were also performed to evaluate the low thermal impedance afforded by this architecture and potential for high wall-plug efficiency. PMID:27409867

  6. An Integrated Hybrid Transportation Architecture for Human Mars Expeditions

    NASA Technical Reports Server (NTRS)

    Merrill, Raymond G.; Chai, Patrick R.; Qu, Min

    2015-01-01

    NASA's Human Spaceflight Architecture Team is developing a reusable hybrid transportation architecture that uses both chemical and electric propulsion systems on the same vehicle to send crew and cargo to Mars destinations such as Phobos, Deimos, the surface of Mars, and other orbits around Mars. By applying chemical and electrical propulsion where each is most effective, the hybrid architecture enables a series of Mars trajectories that are more fuel-efficient than an all chemical architecture without significant increases in flight times. This paper presents an integrated Hybrid in-space transportation architecture for piloted missions and delivery of cargo. A concept for a Mars campaign including orbital and Mars surface missions is described in detail including a system concept of operations and conceptual design. Specific constraints, margin, and pinch points are identified for the architecture and opportunities for critical path commercial and international collaboration are discussed.

  7. Experimental tests of a two-layer Monte Carlo-diffusion hybrid model for photon migration in the frequency domain

    NASA Astrophysics Data System (ADS)

    Faris, Gregory W.; Alexandrakis, George; Busch, David R.; Patterson, Michael S.

    2001-06-01

    We examine the ability to recover the optical properties of a two-layer turbid medium using multi-distance frequency domain reflectance measurements and a hybrid Monte Carlo-- diffusion model. Frequency domain measurements are performed on two-layer liquid tissue phantoms simulating skin on muscle and skin on fat. Particular care to systematic effects in the photomultiplier is required for the measurements at short source-detectors distances. The model converges when fitting five free parameters (the optical properties of the upper and lower layers and the upper layer thickness). However, discrepancies between experimental and model yield insufficient accuracy for the absorption coefficient of the upper layer.

  8. First Results From GLAST-LAT Integrated Towers Cosmic Ray Data Taking And Monte Carlo Comparison

    SciTech Connect

    Brigida, M.; Caliandro, A.; Favuzzi, C.; Fusco, P.; Gargano, F.; Giordano, F.; Giglietto, N.; Loparco, F.; Marangelli, B.; Mazziotta, M.N.; Mirizzi, N.; Raino, S.; Spinelli, P.; /Bari U. /INFN, Bari

    2007-02-15

    GLAST Large Area Telescope (LAT) is a gamma ray telescope instrumented with silicon-strip detector planes and sheets of converter, followed by a calorimeter (CAL) and surrounded by an anticoincidence system (ACD). This instrument is sensitive to gamma rays in the energy range between 20 MeV and 300 GeV. At present, the first towers have been integrated and pre-launch data taking with cosmic ray muons is being performed. The results from the data analysis carried out during LAT integration will be discussed and a comparison with the predictions from the Monte Carlo simulation will be shown.

  9. Polymer waveguide based hybrid opto-electric integration technology

    NASA Astrophysics Data System (ADS)

    Mao, Jinbin; Deng, Lingling; Jiang, Xiyan; Ren, Rong; Zhai, Yumeng; Wang, Jin

    2014-10-01

    While monolithic integration especially based on InP appears to be quite an expensive solution for optical devices, hybrid integration solutions using cheaper material platforms are considered powerful competitors because of the high freedom of design, yield optimization and relative cost-efficiency. Among them, the polymer planar-lightwave circuit (PLC) technology is regarded attractive as polymer offers the potential of fairly simple and low-cost fabrication, and of low-cost packaging. In our work, polymer PLC was fabricated by using the standard reactive ion etching (RIE) technique, while other active and passive devices can be integrated on the polymer PLC platform. Exemplary polymer waveguide devices was a 13-channel arrayed waveguide grating (AWG) chip, where the central channel cross-talk was below -30dB and the polarization dependent frequency shift was mitigated by inserting a half wave plate. An optical 900 hybrid was also realized with one 2×4 multi-mode interferometer (MMI). The excess insertion losses are below 4dB for the C-band, while the transmission imbalance is below 1.2dB. When such an optical hybrid was integrated vertically with mesa-type photodiodes, the responsivity of the individual PD was around 0.06 A/W, while the 3 dB bandwidth reaches 24 ~ 27 GHz, which is sufficient for 100Gbit/s receivers. Another example of the hybrid integration was to couple the polymer waveguides to fiber by applying fiber grooves, whose typical loss value was 0.2 dB per-facet over a broad spectral range from 1200-1600 nm.

  10. Lévy-Ciesielski random series as a useful platform for Monte Carlo path integral sampling.

    PubMed

    Predescu, Cristian

    2005-04-01

    We demonstrate that the Lévy-Ciesielski implementation of Lie-Trotter products enjoys several properties that make it extremely suitable for path-integral Monte Carlo simulations: fast computation of paths, fast Monte Carlo sampling, and the ability to use different numbers of time slices for the different degrees of freedom, commensurate with the quantum effects. It is demonstrated that a Monte Carlo simulation for which particles or small groups of variables are updated in a sequential fashion has a statistical efficiency that is always comparable to or better than that of an all-particle or all-variable update sampler. The sequential sampler results in significant computational savings if updating a variable costs only a fraction of the cost for updating all variables simultaneously or if the variables are independent. In the Lévy-Ciesielski representation, the path variables are grouped in a small number of layers, with the variables from the same layer being statistically independent. The superior performance of the fast sampling algorithm is shown to be a consequence of these observations. Both mathematical arguments and numerical simulations are employed in order to quantify the computational advantages of the sequential sampler, the Lévy-Ciesielski implementation of path integrals, and the fast sampling algorithm. PMID:15903818

  11. Quantum mechanical single molecule partition function from path integral Monte Carlo simulations.

    PubMed

    Chempath, Shaji; Predescu, Cristian; Bell, Alexis T

    2006-06-21

    An algorithm for calculating the partition function of a molecule with the path integral Monte Carlo method is presented. Staged thermodynamic perturbation with respect to a reference harmonic potential is utilized to evaluate the ratio of partition functions. Parallel tempering and a new Monte Carlo estimator for the ratio of partition functions are implemented here to achieve well converged simulations that give an accuracy of 0.04 kcal/mol in the reported free energies. The method is applied to various test systems, including a catalytic system composed of 18 atoms. Absolute free energies calculated by this method lead to corrections as large as 2.6 kcal/mol at 300 K for some of the examples presented. PMID:16821901

  12. Quantum Mechanical Single Molecule Partition Function from PathIntegral Monte Carlo Simulations

    SciTech Connect

    Chempath, Shaji; Bell, Alexis T.; Predescu, Cristian

    2006-10-01

    An algorithm for calculating the partition function of a molecule with the path integral Monte Carlo method is presented. Staged thermodynamic perturbation with respect to a reference harmonic potential is utilized to evaluate the ratio of partition functions. Parallel tempering and a new Monte Carlo estimator for the ratio of partition functions are implemented here to achieve well converged simulations that give an accuracy of 0.04 kcal/mol in the reported free energies. The method is applied to various test systems, including a catalytic system composed of 18 atoms. Absolute free energies calculated by this method lead to corrections as large as 2.6 kcal/mol at 300 K for some of the examples presented.

  13. Graphene/Si CMOS Hybrid Hall Integrated Circuits

    PubMed Central

    Huang, Le; Xu, Huilong; Zhang, Zhiyong; Chen, Chengying; Jiang, Jianhua; Ma, Xiaomeng; Chen, Bingyan; Li, Zishen; Zhong, Hua; Peng, Lian-Mao

    2014-01-01

    Graphene/silicon CMOS hybrid integrated circuits (ICs) should provide powerful functions which combines the ultra-high carrier mobility of graphene and the sophisticated functions of silicon CMOS ICs. But it is difficult to integrate these two kinds of heterogeneous devices on a single chip. In this work a low temperature process is developed for integrating graphene devices onto silicon CMOS ICs for the first time, and a high performance graphene/CMOS hybrid Hall IC is demonstrated. Signal amplifying/process ICs are manufactured via commercial 0.18 um silicon CMOS technology, and graphene Hall elements (GHEs) are fabricated on top of the passivation layer of the CMOS chip via a low-temperature micro-fabrication process. The sensitivity of the GHE on CMOS chip is further improved by integrating the GHE with the CMOS amplifier on the Si chip. This work not only paves the way to fabricate graphene/Si CMOS Hall ICs with much higher performance than that of conventional Hall ICs, but also provides a general method for scalable integration of graphene devices with silicon CMOS ICs via a low-temperature process. PMID:24998222

  14. Two-dimensional hybrid Monte Carlo–fluid modelling of dc glow discharges: Comparison with fluid models, reliability, and accuracy

    SciTech Connect

    Eylenceoğlu, E.; Rafatov, I.; Kudryavtsev, A. A.

    2015-01-15

    Two-dimensional hybrid Monte Carlo–fluid numerical code is developed and applied to model the dc glow discharge. The model is based on the separation of electrons into two parts: the low energetic (slow) and high energetic (fast) electron groups. Ions and slow electrons are described within the fluid model using the drift-diffusion approximation for particle fluxes. Fast electrons, represented by suitable number of super particles emitted from the cathode, are responsible for ionization processes in the discharge volume, which are simulated by the Monte Carlo collision method. Electrostatic field is obtained from the solution of Poisson equation. The test calculations were carried out for an argon plasma. Main properties of the glow discharge are considered. Current-voltage curves, electric field reversal phenomenon, and the vortex current formation are developed and discussed. The results are compared to those obtained from the simple and extended fluid models. Contrary to reports in the literature, the analysis does not reveal significant advantages of existing hybrid methods over the extended fluid model.

  15. A hybrid Monte Carlo model for the energy response functions of X-ray photon counting detectors

    NASA Astrophysics Data System (ADS)

    Wu, Dufan; Xu, Xiaofei; Zhang, Li; Wang, Sen

    2016-09-01

    In photon counting computed tomography (CT), it is vital to know the energy response functions of the detector for noise estimation and system optimization. Empirical methods lack flexibility and Monte Carlo simulations require too much knowledge of the detector. In this paper, we proposed a hybrid Monte Carlo model for the energy response functions of photon counting detectors in X-ray medical applications. GEANT4 was used to model the energy deposition of X-rays in the detector. Then numerical models were used to describe the process of charge sharing, anti-charge sharing and spectral broadening, which were too complicated to be included in the Monte Carlo model. Several free parameters were introduced in the numerical models, and they could be calibrated from experimental measurements such as X-ray fluorescence from metal elements. The method was used to model the energy response function of an XCounter Flite X1 photon counting detector. The parameters of the model were calibrated with fluorescence measurements. The model was further tested against measured spectrums of a VJ X-ray source to validate its feasibility and accuracy.

  16. Novel integration technique for silicon/III-V hybrid laser.

    PubMed

    Dong, Po; Hu, Ting-Chen; Liow, Tsung-Yang; Chen, Young-Kai; Xie, Chongjin; Luo, Xianshu; Lo, Guo-Qiang; Kopf, Rose; Tate, Alaric

    2014-11-01

    Integrated semiconductor lasers on silicon are one of the most crucial devices to enable low-cost silicon photonic integrated circuits for high-bandwidth optic communications and interconnects. While optical amplifiers and lasers are typically realized in III-V waveguide structures, it is beneficial to have an integration approach which allows flexible and efficient coupling of light between III-V gain media and silicon waveguides. In this paper, we propose and demonstrate a novel fabrication technique and associated transition structure to realize integrated lasers without the constraints of other critical processing parameters such as the starting silicon layer thicknesses. This technique employs epitaxial growth of silicon in a pre-defined trench with taper structures. We fabricate and demonstrate a long-cavity hybrid laser with a narrow linewidth of 130 kHz and an output power of 1.5 mW using the proposed technique. PMID:25401832

  17. Development of Integrated Motor Assist Hybrid System: Development of the 'Insight', a Personal Hybrid Coupe

    SciTech Connect

    Kaoru Aoki; Shigetaka Kuroda; Shigemasa Kajiwara; Hiromitsu Sato; Yoshio Yamamoto

    2000-06-19

    This paper presents the technical approach used to design and develop the powerplant for the Honda Insight, a new motor assist hybrid vehicle with an overall development objective of just half the fuel consumption of the current Civic over a wide range of driving conditions. Fuel consumption of 35km/L (Japanese 10-15 mode), and 3.4L/100km (98/69/EC) was realized. To achieve this, a new Integrated Motor Assist (IMA) hybrid power plant system was developed, incorporating many new technologies for packaging and integrating the motor assist system and for improving engine thermal efficiency. This was developed in combination with a new lightweight aluminum body with low aerodynamic resistance. Environmental performance goals also included the simultaneous achievement of low emissions (half the Japanese year 2000 standards, and half the EU2000 standards), high efficiency, and recyclability. Full consideration was also given to key consumer attributes, including crash safety performance, handling, and driving performance.

  18. hybridMANTIS: a CPU-GPU Monte Carlo method for modeling indirect x-ray detectors with columnar scintillators.

    PubMed

    Sharma, Diksha; Badal, Andreu; Badano, Aldo

    2012-04-21

    The computational modeling of medical imaging systems often requires obtaining a large number of simulated images with low statistical uncertainty which translates into prohibitive computing times. We describe a novel hybrid approach for Monte Carlo simulations that maximizes utilization of CPUs and GPUs in modern workstations. We apply the method to the modeling of indirect x-ray detectors using a new and improved version of the code MANTIS, an open source software tool used for the Monte Carlo simulations of indirect x-ray imagers. We first describe a GPU implementation of the physics and geometry models in fastDETECT2 (the optical transport model) and a serial CPU version of the same code. We discuss its new features like on-the-fly column geometry and columnar crosstalk in relation to the MANTIS code, and point out areas where our model provides more flexibility for the modeling of realistic columnar structures in large area detectors. Second, we modify PENELOPE (the open source software package that handles the x-ray and electron transport in MANTIS) to allow direct output of location and energy deposited during x-ray and electron interactions occurring within the scintillator. This information is then handled by optical transport routines in fastDETECT2. A load balancer dynamically allocates optical transport showers to the GPU and CPU computing cores. Our hybridMANTIS approach achieves a significant speed-up factor of 627 when compared to MANTIS and of 35 when compared to the same code running only in a CPU instead of a GPU. Using hybridMANTIS, we successfully hide hours of optical transport time by running it in parallel with the x-ray and electron transport, thus shifting the computational bottleneck from optical tox-ray transport. The new code requires much less memory than MANTIS and, asa result, allows us to efficiently simulate large area detectors. PMID:22469917

  19. Hybrid silicon free-space source with integrated beam steering

    NASA Astrophysics Data System (ADS)

    Doylend, J. K.; Heck, M. J. R.; Bovington, J. T.; Peters, J. D.; Davenport, M. L.; Coldren, L. A.; Bowers, J. E.

    2013-02-01

    Free-space beam steering using optical phase arrays are desirable as a means of implementing Light Detection and Ranging (LIDAR) and free-space communication links without the need for moving parts, thus alleviating vulnerabilities due to vibrations and inertial forces. Implementing such an approach in silicon photonic integrated circuits is particularly desirable in order to take advantage of established CMOS processing techniques while reducing both device size and packaging complexity. In this work we demonstrate a free-space diode laser together with beam steering implemented on-chip in a silicon photonic circuit. A waveguide phased array, surface gratings, a hybrid III-V/silicon laser and an array of hybrid III/V silicon amplifiers were fabricated on-chip in order to achieve a fully integrated steerable free-space optical source with no external optical inputs, thus eliminating the need for fiber coupling altogether. The chip was fabricated using a modified version of the hybrid silicon process developed at UCSB, with modifications in order to incorporate diodes within the waveguide layer as well as within the III-V gain layer. Beam steering across a 12° field of view with +/-0.3° accuracy and 1.8°x0.6° beam width was achieved, with background peaks suppressed 7 dB relative to the main lobe within the field of view for arbitrarily chosen beam directions.

  20. Golden Ratio Versus Pi as Random Sequence Sources for Monte Carlo Integration

    NASA Technical Reports Server (NTRS)

    Sen, S. K.; Agarwal, Ravi P.; Shaykhian, Gholam Ali

    2007-01-01

    We discuss here the relative merits of these numbers as possible random sequence sources. The quality of these sequences is not judged directly based on the outcome of all known tests for the randomness of a sequence. Instead, it is determined implicitly by the accuracy of the Monte Carlo integration in a statistical sense. Since our main motive of using a random sequence is to solve real world problems, it is more desirable if we compare the quality of the sequences based on their performances for these problems in terms of quality/accuracy of the output. We also compare these sources against those generated by a popular pseudo-random generator, viz., the Matlab rand and the quasi-random generator ha/ton both in terms of error and time complexity. Our study demonstrates that consecutive blocks of digits of each of these numbers produce a good random sequence source. It is observed that randomly chosen blocks of digits do not have any remarkable advantage over consecutive blocks for the accuracy of the Monte Carlo integration. Also, it reveals that pi is a better source of a random sequence than theta when the accuracy of the integration is concerned.

  1. Scalable Software for Multivariate Integration on Hybrid Platforms

    NASA Astrophysics Data System (ADS)

    de Doncker, E.; Yuasa, F.; Kapenga, J.; Olagbemi, O.

    2015-09-01

    The paper describes the software infrastructure of the PARINT package for multivariate numerical integration, layered over a hybrid parallel environment with distributed memory computations (on MPI). The parallel problem distribution is typically performed on the region level in the adaptive partitioning procedure. Our objective has been to provide the end-user with state of the art problem solving power packaged as portable software. We will give test results of the multivariate ParInt engine, with significant speedups for a set of 3-loop Feynman integrals. An extrapolation with respect to the dimensional regularization parameter (ε) is applied to sequences of multivariate ParInt results Q(ε) to obtain the leading asymptotic expansion coefficients as ε → 0. This paper further introduces a novel method for a parallel computation of the Q(ε) sequence as the components of the integral of a vector function.

  2. Hybrid two-chain simulation and integral equation theory : application to polyethylene liquids.

    SciTech Connect

    Huimin Li, David T. Wu; Curro, John G.; McCoy, John Dwane

    2006-02-01

    We present results from a hybrid simulation and integral equation approach to the calculation of polymer melt properties. The simulation consists of explicit Monte Carlo (MC) sampling of two polymer molecules, where the effect of the surrounding chains is accounted for by an HNC solvation potential. The solvation potential is determined from the Polymer Reference Interaction Site Model (PRISM) as a functional of the pair correlation function from simulation. This hybrid two-chain MC-PRISM approach was carried out on liquids of polyethylene chains of 24 and 66 CH{sub 2} units. The results are compared with MD simulation and self-consistent PRISM-PY theory under the same conditions, revealing that the two-chain calculation is close to MD, and able to overcome the defects of the PRISM-PY closure and predict more accurate structures of the liquid at both short and long range. The direct correlation function, for instance, has a tail at longer range which is consistent with MD simulation and avoids the short-range assumptions in PRISM-PY theory. As a result, the self-consistent two-chain MC-PRISM calculation predicts an isothermal compressibility closer to the MD results.

  3. High Voltage Dielectrophoretic and Magnetophoretic Hybrid Integrated Circuit / Microfluidic Chip

    PubMed Central

    Issadore, David; Franke, Thomas; Brown, Keith A.; Hunt, Thomas P.; Westervelt, Robert M.

    2010-01-01

    A hybrid integrated circuit (IC) / microfluidic chip is presented that independently and simultaneously traps and moves microscopic objects suspended in fluid using both electric and magnetic fields. This hybrid chip controls the location of dielectric objects, such as living cells and drops of fluid, on a 60 × 61 array of pixels that are 30 × 38 μm2 in size, each of which can be individually addressed with a 50 V peak-to-peak, DC to 10 MHz radio frequency voltage. These high voltage pixels produce electric fields above the chip’s surface with a magnitude , resulting in strong dielectrophoresis (DEP) forces . Underneath the array of DEP pixels there is a magnetic matrix that consists of two perpendicular sets of 60 metal wires running across the chip. Each wire can be sourced with 120 mA to trap and move magnetically susceptible objects using magnetophoresis (MP). The DEP pixel array and magnetic matrix can be used simultaneously to apply forces to microscopic objects, such as living cells or lipid vesicles, that are tagged with magnetic nanoparticles. The capabilities of the hybrid IC / microfluidic chip demonstrated in this paper provide important building blocks for a platform for biological and chemical applications. PMID:20625468

  4. Effect of Nonlinearity in Hybrid Kinetic Monte Carlo-Continuum Models

    SciTech Connect

    Balter, Ariel I.; Lin, Guang; Tartakovsky, Alexandre M.

    2012-04-23

    Recently there has been interest in developing efficient ways to model heterogeneous surface reactions with hybrid computational models that couple a KMC model for a surface to a finite difference model for bulk diffusion in a continuous domain. We consider two representative problems that validate a hybrid method and also show that this method captures the combined effects of nonlinearity and stochasticity. We first validate a simple deposition/dissolution model with a linear rate showing that the KMC-continuum hybrid agrees with both a fully deterministic model and its analytical solution. We then study a deposition/dissolution model including competitive adsorption, which leads to a nonlinear rate, and show that, in this case, the KMC-continuum hybrid and fully deterministic simulations do not agree. However, we are able to identify the difference as a natural result of the stochasticity coming from the KMC surface process. Because KMC captures inherent fluctuations, we consider it to be more realistic than a purely deterministic model. Therefore, we consider the KMC-continuum hybrid to be more representative of a real system.

  5. Modeling the first stages of Cu precipitation in α-Fe using a hybrid atomistic kinetic Monte Carlo approach

    NASA Astrophysics Data System (ADS)

    Castin, N.; Pascuet, M. I.; Malerba, L.

    2011-08-01

    We simulate the coherent stage of Cu precipitation in α-Fe with an atomistic kinetic Monte Carlo (AKMC) model. The vacancy migration energy as a function of the local chemical environment is provided on-the-fly by a neural network, trained with high precision on values calculated with the nudged elastic band method, using a suitable interatomic potential. To speed up the simulation, however, we modify the standard AKMC algorithm by treating large Cu clusters as objects, similarly to object kinetic Monte Carlo approaches. Seamless matching between the fully atomistic and the coarse-grained approach is achieved again by using a neural network, that provides all stability and mobility parameters for large Cu clusters, after training on atomistically informed results. The resulting hybrid algorithm allows long thermal annealing experiments to be simulated, within a reasonable CPU time. The results obtained are in very good agreement with several series of experimental data available from the literature, spanning over different conditions of temperature and alloy composition. We deduce from these results and relevant parametric studies that the mobility of Cu clusters containing one vacancy plays a central role in the precipitation mechanism.

  6. Hybrid polymer photonic crystal fiber with integrated chalcogenide glass nanofilms.

    PubMed

    Markos, Christos; Kubat, Irnis; Bang, Ole

    2014-01-01

    The combination of chalcogenide glasses with polymer photonic crystal fibers (PCFs) is a difficult and challenging task due to their different thermo-mechanical material properties. Here we report the first experimental realization of a hybrid polymer-chalcogenide PCF with integrated As2S3 glass nanofilms at the inner surface of the air-channels of a poly-methyl-methacrylate (PMMA) PCF. The integrated high refractive index glass films introduce distinct antiresonant transmission bands in the 480-900 nm wavelength region. We demonstrate that the ultra-high Kerr nonlinearity of the chalcogenide glass makes the polymer PCF nonlinear and provides a possibility to shift the transmission band edges as much as 17 nm by changing the intensity. The proposed fabrication technique constitutes a new highway towards all-fiber nonlinear tunable devices based on polymer PCFs, which at the moment is not possible with any other fabrication method. PMID:25317501

  7. On the Application of a Hybrid Monte Carlo Technique to Radiation Transfer in the Post-Explosion Phase of Type IA Supernovae

    NASA Astrophysics Data System (ADS)

    Wollaeger, Ryan; van Rossum, Daniel; Graziani, Carlo; Couch, Sean; Jordan, George; Lamb, Donald; Moses, Gregory

    2013-10-01

    We apply Implicit Monte Carlo (IMC) and Discrete Diffusion Monte Carlo (DDMC) to Nomoto's W7 model of Type Ia Supernovae (SNe Ia). IMC is a stochastic method for solving the nonlinear radiation transport equations. DDMC is a stochastic radiation diffusion method that is generally used to accelerate IMC for Monte Carlo (MC) particle histories in optically thick regions of space. The hybrid IMC-DDMC method has recently been extended to account for multifrequency and velocity effects. SNe Ia are thermonuclear explosions of white dwarf stars that produce characteristic light curves and spectra sourced by radioactive decay of 56Ni. We exhibit the advantages of the hybrid MC approach relative to pure IMC for the W7 model. These results shed light on the viability of IMC-DDMC in more sophisticated, multi-dimensional simulations of SNe Ia. This work was supported in part by the University of Chicago and the National Science Foundation under grant AST-0909132.

  8. Hybrid integrated optic modules for real-time signal processing

    NASA Technical Reports Server (NTRS)

    Tsai, C. S.

    1984-01-01

    The most recent progress on four relatively new hybrid integrated optic device modules in LiNbO3 waveguides and one in YIG/GGG waveguide that are currently being studied are discussed. The five hybrid modules include a time-integrating acoustooptic correlator, a channel waveguide acoustooptic frequency shifter/modulator, an electrooptic channel waveguide total internal reflection moculator/switch, an electrooptic analog-to-digital converter using a Fabry-Perot modulator array, and a noncollinear magnetooptic modulator using magnetostatic surface waves. All of these devices possess the desirable characteristics of very large bandwidth (GHz or higher), very small substrate size along the optical path (typically 1.5 cm or less), single-mode optical propagation, and low drive power requirement. The devices utilize either acoustooptic, electrooptic or magnetooptic effects in planar or channel waveguides and, therefore, act as efficient interface devices between a light wave and temporal signals. Major areas of application lie in wideband multichannel optical real-time signal processing and communications. Some of the specific applications include spectral analysis and correlation of radio frequency (RF) signals, fiber-optic sensing, optical computing and multiport switching/routing, and analog-to-digital conversion of wide RF signals.

  9. Hybrid integrated metro ring node subsystem on a chip

    NASA Astrophysics Data System (ADS)

    Gerhardt, Reinald; Fujita, Junichiro; Radojevic, Antonije M.; Zhuromskyy, Oleksandr; Eldada, Louay A.

    2003-07-01

    We report on a hybrid integrated metro ring node subsystem on a chip that consists of an array of four independent reconfigurable optical add-drop circuits, each with power monitoring and automatic load balancing, and supporting shared and dedicated protection protocols in two-fiber metro ring optical networks. The four-channel metro ring node chip has polymeric optical waveguiding circuitry, thermally actuated with heaters consisting of resistive strips of metal. Photodiode arrays are flip-chip mounted on top of 45° mirrors cut in the waveguides of optical power taps. The mirrors are fabricated by Excimer laser ablation of the polymer followed by smoothing and metalization. The non-integrated implementation of a metro ring node uses 48 discrete elements, namely 8 1×2 switches, 8 2×2 switches, 8 VOAs, 12 taps, and 12 photodiodes. The proposed integrated solution is an exemplary embodiment of the benefits of optoelectronic integration as it provides, when compared to the discrete solution, significant cost reduction, space savings, lower electrical power consumption, higher reliability (fewer devices, runs cooler), and fewer board-level fiber interconnects.

  10. Path-integral Monte Carlo simulation of the second layer of 4He adsorbed on graphite

    NASA Astrophysics Data System (ADS)

    Pierce, Marlon; Manousakis, Efstratios

    1999-02-01

    We have developed a path-integral Monte Carlo method for simulating helium films and apply it to the second layer of helium adsorbed on graphite. We use helium-helium and helium-graphite interactions that are found from potentials which realistically describe the interatomic interactions. The Monte Carlo sampling is over both particle positions and permutations of particle labels. From the particle configurations and static structure factor calculations, we find that this layer possesses, in order of increasing density, a superfluid liquid phase, a 7×7 commensurate solid phase that is registered with respect to the first layer, and an incommensurate solid phase. By applying the Maxwell construction to the dependence of the low-temperature total energy on the coverage, we are able to identify coexistence regions between the phases. From these, we deduce an effectively zero-temperature phase diagram. Our phase boundaries are in agreement with heat capacity and torsional oscillator measurements, and demonstrate that the experimentally observed disruption of the superfluid phase is caused by the growth of the commensurate phase. We further observe that the superfluid phase has a transition temperature consistent with the two-dimensional value. Promotion to the third layer occurs for densities above 0.212 atom/Å 2, in good agreement with experiment. Finally, we calculate the specific heat for each phase and obtain peaks at temperatures in general agreement with experiment.

  11. An integrated Monte Carlo dosimetric verification system for radiotherapy treatment planning

    NASA Astrophysics Data System (ADS)

    Yamamoto, T.; Mizowaki, T.; Miyabe, Y.; Takegawa, H.; Narita, Y.; Yano, S.; Nagata, Y.; Teshima, T.; Hiraoka, M.

    2007-04-01

    An integrated Monte Carlo (MC) dose calculation system, MCRTV (Monte Carlo for radiotherapy treatment plan verification), has been developed for clinical treatment plan verification, especially for routine quality assurance (QA) of intensity-modulated radiotherapy (IMRT) plans. The MCRTV system consists of the EGS4/PRESTA MC codes originally written for particle transport through the accelerator, the multileaf collimator (MLC), and the patient/phantom, which run on a 28-CPU Linux cluster, and the associated software developed for the clinical implementation. MCRTV has an interface with a commercial treatment planning system (TPS) (Eclipse, Varian Medical Systems, Palo Alto, CA, USA) and reads the information needed for MC computation transferred in DICOM-RT format. The key features of MCRTV have been presented in detail in this paper. The phase-space data of our 15 MV photon beam from a Varian Clinac 2300C/D have been developed and several benchmarks have been performed under homogeneous and several inhomogeneous conditions (including water, aluminium, lung and bone media). The MC results agreed with the ionization chamber measurements to within 1% and 2% for homogeneous and inhomogeneous conditions, respectively. The MC calculation for a clinical prostate IMRT treatment plan validated the implementation of the beams and the patient/phantom configuration in MCRTV.

  12. Path integral Monte Carlo with importance sampling for excitons interacting with an arbitrary phonon bath.

    PubMed

    Shim, Sangwoo; Aspuru-Guzik, Alán

    2012-12-14

    The reduced density matrix of excitons coupled to a phonon bath at a finite temperature is studied using the path integral Monte Carlo method. Appropriate choices of estimators and importance sampling schemes are crucial to the performance of the Monte Carlo simulation. We show that by choosing the population-normalized estimator for the reduced density matrix, an efficient and physically-meaningful sampling function can be obtained. In addition, the nonadiabatic phonon probability density is obtained as a byproduct during the sampling procedure. For importance sampling, we adopted the Metropolis-adjusted Langevin algorithm. The analytic expression for the gradient of the target probability density function associated with the population-normalized estimator cannot be obtained in closed form without a matrix power series. An approximated gradient that can be efficiently calculated is explored to achieve better computational scaling and efficiency. Application to a simple one-dimensional model system from the previous literature confirms the correctness of the method developed in this manuscript. The displaced harmonic model system within the single exciton manifold shows the numerically exact temperature dependence of the coherence and population of the excitonic system. The sampling scheme can be applied to an arbitrary anharmonic environment, such as multichromophoric systems embedded in the protein complex. The result of this study is expected to stimulate further development of real time propagation methods that satisfy the detailed balance condition for exciton populations. PMID:23249075

  13. Torsional path integral Monte Carlo method for the quantum simulation of large molecules

    NASA Astrophysics Data System (ADS)

    Miller, Thomas F.; Clary, David C.

    2002-05-01

    A molecular application is introduced for calculating quantum statistical mechanical expectation values of large molecules at nonzero temperatures. The Torsional Path Integral Monte Carlo (TPIMC) technique applies an uncoupled winding number formalism to the torsional degrees of freedom in molecular systems. The internal energy of the molecules ethane, n-butane, n-octane, and enkephalin are calculated at standard temperature using the TPIMC technique and compared to the expectation values obtained using the harmonic oscillator approximation and a variational technique. All studied molecules exhibited significant quantum mechanical contributions to their internal energy expectation values according to the TPIMC technique. The harmonic oscillator approximation approach to calculating the internal energy performs well for the molecules presented in this study but is limited by its neglect of both anharmonicity effects and the potential coupling of intramolecular torsions.

  14. Excitonic effects in two-dimensional semiconductors: Path integral Monte Carlo approach

    SciTech Connect

    Velizhanin, Kirill A.; Saxena, Avadh

    2015-11-11

    The most striking features of novel two-dimensional semiconductors (e.g., transition metal dichalcogenide monolayers or phosphorene) is a strong Coulomb interaction between charge carriers resulting in large excitonic effects. In particular, this leads to the formation of multicarrier bound states upon photoexcitation (e.g., excitons, trions, and biexcitons), which could remain stable at near-room temperatures and contribute significantly to the optical properties of such materials. In our work we have used the path integral Monte Carlo methodology to numerically study properties of multicarrier bound states in two-dimensional semiconductors. Specifically, we have accurately investigated and tabulated the dependence of single-exciton, trion, and biexciton binding energies on the strength of dielectric screening, including the limiting cases of very strong and very weak screening. Our results of this work are potentially useful in the analysis of experimental data and benchmarking of theoretical and computational models.

  15. Excitonic effects in two-dimensional semiconductors: Path integral Monte Carlo approach

    DOE PAGESBeta

    Velizhanin, Kirill A.; Saxena, Avadh

    2015-11-11

    The most striking features of novel two-dimensional semiconductors (e.g., transition metal dichalcogenide monolayers or phosphorene) is a strong Coulomb interaction between charge carriers resulting in large excitonic effects. In particular, this leads to the formation of multicarrier bound states upon photoexcitation (e.g., excitons, trions, and biexcitons), which could remain stable at near-room temperatures and contribute significantly to the optical properties of such materials. In our work we have used the path integral Monte Carlo methodology to numerically study properties of multicarrier bound states in two-dimensional semiconductors. Specifically, we have accurately investigated and tabulated the dependence of single-exciton, trion, and biexcitonmore » binding energies on the strength of dielectric screening, including the limiting cases of very strong and very weak screening. Our results of this work are potentially useful in the analysis of experimental data and benchmarking of theoretical and computational models.« less

  16. Excitonic effects in two-dimensional semiconductors: Path integral Monte Carlo approach

    NASA Astrophysics Data System (ADS)

    Velizhanin, Kirill A.; Saxena, Avadh

    2015-11-01

    One of the most striking features of novel two-dimensional semiconductors (e.g., transition metal dichalcogenide monolayers or phosphorene) is a strong Coulomb interaction between charge carriers resulting in large excitonic effects. In particular, this leads to the formation of multicarrier bound states upon photoexcitation (e.g., excitons, trions, and biexcitons), which could remain stable at near-room temperatures and contribute significantly to the optical properties of such materials. In the present work we have used the path integral Monte Carlo methodology to numerically study properties of multicarrier bound states in two-dimensional semiconductors. Specifically, we have accurately investigated and tabulated the dependence of single-exciton, trion, and biexciton binding energies on the strength of dielectric screening, including the limiting cases of very strong and very weak screening. The results of this work are potentially useful in the analysis of experimental data and benchmarking of theoretical and computational models.

  17. Accelerating execution of the integrated TIGER series Monte Carlo radiation transport codes

    SciTech Connect

    Smith, L.M.; Hochstedler, R.D.

    1997-02-01

    Execution of the integrated TIGER series (ITS) of coupled electron/photon Monte Carlo radiation transport codes has been accelerated by modifying the FORTRAN source code for more efficient computation. Each member code of ITS was benchmarked and profiled with a specific test case that directed the acceleration effort toward the most computationally intensive subroutines. Techniques for accelerating these subroutines included replacing linear search algorithms with binary versions, replacing the pseudo-random number generator, reducing program memory allocation, and proofing the input files for geometrical redundancies. All techniques produced identical or statistically similar results to the original code. Final benchmark timing of the accelerated code resulted in speed-up factors of 2.00 for TIGER (the one-dimensional slab geometry code), 1.74 for CYLTRAN (the two-dimensional cylindrical geometry code), and 1.90 for ACCEPT (the arbitrary three-dimensional geometry code).

  18. Integrated layout based Monte-Carlo simulation for design arc optimization

    NASA Astrophysics Data System (ADS)

    Shao, Dongbing; Clevenger, Larry; Zhuang, Lei; Liebmann, Lars; Wong, Robert; Culp, James

    2016-03-01

    Design rules are created considering a wafer fail mechanism with the relevant design levels under various design cases, and the values are set to cover the worst scenario. Because of the simplification and generalization, design rule hinders, rather than helps, dense device scaling. As an example, SRAM designs always need extensive ground rule waivers. Furthermore, dense design also often involves "design arc", a collection of design rules, the sum of which equals critical pitch defined by technology. In design arc, a single rule change can lead to chain reaction of other rule violations. In this talk we present a methodology using Layout Based Monte-Carlo Simulation (LBMCS) with integrated multiple ground rule checks. We apply this methodology on SRAM word line contact, and the result is a layout that has balanced wafer fail risks based on Process Assumptions (PAs). This work was performed at the IBM Microelectronics Div, Semiconductor Research and Development Center, Hopewell Junction, NY 12533

  19. Fermionic path-integral Monte Carlo results for the uniform electron gas at finite temperature

    NASA Astrophysics Data System (ADS)

    Filinov, V. S.; Fortov, V. E.; Bonitz, M.; Moldabekov, Zh.

    2015-03-01

    The uniform electron gas (UEG) at finite temperature has recently attracted substantial interest due to the experimental progress in the field of warm dense matter. To explain the experimental data, accurate theoretical models for high-density plasmas are needed that depend crucially on the quality of the thermodynamic properties of the quantum degenerate nonideal electrons and of the treatment of their interaction with the positive background. Recent fixed-node path-integral Monte Carlo (RPIMC) data are believed to be the most accurate for the UEG at finite temperature, but they become questionable at high degeneracy when the Brueckner parameter rs=a /aB —the ratio of the mean interparticle distance to the Bohr radius—approaches 1. The validity range of these simulations and their predictive capabilities for the UEG are presently unknown. This is due to the unknown quality of the used fixed nodes and of the finite-size scaling from N =33 simulated particles (per spin projection) to the macroscopic limit. To analyze these questions, we present alternative direct fermionic path integral Monte Carlo (DPIMC) simulations that are independent from RPIMC. Our simulations take into account quantum effects not only in the electron system but also in their interaction with the uniform positive background. Also, we use substantially larger particle numbers (up to three times more) and perform an extrapolation to the macroscopic limit. We observe very good agreement with RPIMC, for the polarized electron gas, up to moderate densities around rs=4 , and larger deviations for the unpolarized case, for low temperatures. For higher densities (high electron degeneracy), rs≲1.5 , both RPIMC and DPIMC are problematic due to the increased fermion sign problem.

  20. Fermionic path-integral Monte Carlo results for the uniform electron gas at finite temperature.

    PubMed

    Filinov, V S; Fortov, V E; Bonitz, M; Moldabekov, Zh

    2015-03-01

    The uniform electron gas (UEG) at finite temperature has recently attracted substantial interest due to the experimental progress in the field of warm dense matter. To explain the experimental data, accurate theoretical models for high-density plasmas are needed that depend crucially on the quality of the thermodynamic properties of the quantum degenerate nonideal electrons and of the treatment of their interaction with the positive background. Recent fixed-node path-integral Monte Carlo (RPIMC) data are believed to be the most accurate for the UEG at finite temperature, but they become questionable at high degeneracy when the Brueckner parameter rs=a/aB--the ratio of the mean interparticle distance to the Bohr radius--approaches 1. The validity range of these simulations and their predictive capabilities for the UEG are presently unknown. This is due to the unknown quality of the used fixed nodes and of the finite-size scaling from N=33 simulated particles (per spin projection) to the macroscopic limit. To analyze these questions, we present alternative direct fermionic path integral Monte Carlo (DPIMC) simulations that are independent from RPIMC. Our simulations take into account quantum effects not only in the electron system but also in their interaction with the uniform positive background. Also, we use substantially larger particle numbers (up to three times more) and perform an extrapolation to the macroscopic limit. We observe very good agreement with RPIMC, for the polarized electron gas, up to moderate densities around rs=4, and larger deviations for the unpolarized case, for low temperatures. For higher densities (high electron degeneracy), rs≲1.5, both RPIMC and DPIMC are problematic due to the increased fermion sign problem. PMID:25871225

  1. Radiation Transport for Explosive Outflows: A Multigroup Hybrid Monte Carlo Method

    NASA Astrophysics Data System (ADS)

    Wollaeger, Ryan T.; van Rossum, Daniel R.; Graziani, Carlo; Couch, Sean M.; Jordan, George C., IV; Lamb, Donald Q.; Moses, Gregory A.

    2013-12-01

    We explore Implicit Monte Carlo (IMC) and discrete diffusion Monte Carlo (DDMC) for radiation transport in high-velocity outflows with structured opacity. The IMC method is a stochastic computational technique for nonlinear radiation transport. IMC is partially implicit in time and may suffer in efficiency when tracking MC particles through optically thick materials. DDMC accelerates IMC in diffusive domains. Abdikamalov extended IMC and DDMC to multigroup, velocity-dependent transport with the intent of modeling neutrino dynamics in core-collapse supernovae. Densmore has also formulated a multifrequency extension to the originally gray DDMC method. We rigorously formulate IMC and DDMC over a high-velocity Lagrangian grid for possible application to photon transport in the post-explosion phase of Type Ia supernovae. This formulation includes an analysis that yields an additional factor in the standard IMC-to-DDMC spatial interface condition. To our knowledge the new boundary condition is distinct from others presented in prior DDMC literature. The method is suitable for a variety of opacity distributions and may be applied to semi-relativistic radiation transport in simple fluids and geometries. Additionally, we test the code, called SuperNu, using an analytic solution having static material, as well as with a manufactured solution for moving material with structured opacities. Finally, we demonstrate with a simple source and 10 group logarithmic wavelength grid that IMC-DDMC performs better than pure IMC in terms of accuracy and speed when there are large disparities between the magnitudes of opacities in adjacent groups. We also present and test our implementation of the new boundary condition.

  2. Integrated power divider/combiner at hybrid orthogonal junctions

    NASA Astrophysics Data System (ADS)

    El Sherif, Mohamed H.; Ahmed, Osman S.; Bakr, Mohamed H.

    2014-03-01

    We propose an integrated power divider/combiner at the interface between silicon nanowire and plasmonic slot waveguide (PSW). The proposed configuration facilitates light access and manipulation in planar nano-plasmonic circuits. The light is incident from a standard silicon nanowire to be accessed by a nano-plasmonic circuit providing subwavelength confinement. The structure overcomes the losses associated with long distance light propagation in nanoplasmonic splitters as coupling and splitting are performed at the same interface with minimal losses. Two PSWs placed orthogonally to the silicon nanowire forming hybrid junctions are exploited for the power dividing/combining functionality. The power splitter has been analyzed using the finite difference time domain (FDTD) numerical method. The ultra-compact proposed device provides wide-band power splitting functionality. A splitting of 34.7%, over most of the wavelength spectrum from 0.8 μm - 2.5 μm, is demonstrated.

  3. Silicon-integrated short-wavelength hybrid-cavity VCSEL.

    PubMed

    Haglund, Emanuel P; Kumari, Sulakshna; Westbergh, Petter; Gustavsson, Johan S; Roelkens, Gunther; Baets, Roel; Larsson, Anders

    2015-12-28

    We demonstrate a short-wavelength hybrid-cavity vertical-cavity surface-emitting laser (VCSEL) heterogeneously integrated on silicon. A GaAs-based "half-VCSEL" has been attached to a dielectric distributed Bragg reflector (DBR) on a silicon wafer using ultra-thin divinylsiloxane-bis-benzocyclobutene (DVS-BCB) adhesive bonding, thereby creating a cavity with the standing-wave optical field extending over the silicon- and GaAs-based parts of the cavity. A 9 µm oxide aperture diameter VCSEL with a threshold current of 1.2 mA produces 1.6 mW optical output power at 6.0 mA bias current with a wavelength of ~845 nm. PMID:26832027

  4. Trigonometrically fitted two step hybrid method for the numerical integration of second order IVPs

    NASA Astrophysics Data System (ADS)

    Monovasilis, Th.; Kalogiratou, Z.; Simos, T. E.

    2016-06-01

    In this work we consider the numerical integration of second order ODEs where the first derivative is missing. We construct trigonometrically fitted two step hybrid methods. We apply the new methods on the numerical integration of several test problems.

  5. Extension of the Integrated Tiger Series (ITS) of electron-photon Monte Carlo codes to 100 GeV

    SciTech Connect

    Miller, S.G.

    1988-08-01

    Version 2.1 of the Integrated Tiger Series (ITS) of electron-photon Monte Carlo codes was modified to extend their ability to model interactions up to 100 GeV. Benchmarks against experimental results conducted at 10 and 15 GeV confirm the accuracy of the extended codes. 12 refs., 2 figs., 2 tabs.

  6. The Monte Carlo Integration Computer as an Instructional Model for the Simulation of Equilibrium and Kinetic Chemical Processes: The Development and Evaluation of a Teaching Aid.

    ERIC Educational Resources Information Center

    Wood, Dean Arthur

    A special purpose digital computer which utilizes the Monte Carlo integration method of obtaining simulations of chemical processes was developed and constructed. The computer, designated as the Monte Carlo Integration Computer (MCIC), was designed as an instructional model for the illustration of kinetic and equilibrium processes, and was…

  7. Monte Carlo simulation of small electron fields collimated by the integrated photon MLC

    NASA Astrophysics Data System (ADS)

    Mihaljevic, Josip; Soukup, Martin; Dohm, Oliver; Alber, Markus

    2011-02-01

    In this study, a Monte Carlo (MC)-based beam model for an ELEKTA linear accelerator was established. The beam model is based on the EGSnrc Monte Carlo code, whereby electron beams with nominal energies of 10, 12 and 15 MeV were considered. For collimation of the electron beam, only the integrated photon multi-leaf-collimators (MLCs) were used. No additional secondary or tertiary add-ons like applicators, cutouts or dedicated electron MLCs were included. The source parameters of the initial electron beam were derived semi-automatically from measurements of depth-dose curves and lateral profiles in a water phantom. A routine to determine the initial electron energy spectra was developed which fits a Gaussian spectrum to the most prominent features of depth-dose curves. The comparisons of calculated and measured depth-dose curves demonstrated agreement within 1%/1 mm. The source divergence angle of initial electrons was fitted to lateral dose profiles beyond the range of electrons, where the imparted dose is mainly due to bremsstrahlung produced in the scattering foils. For accurate modelling of narrow beam segments, the influence of air density on dose calculation was studied. The air density for simulations was adjusted to local values (433 m above sea level) and compared with the standard air supplied by the ICRU data set. The results indicate that the air density is an influential parameter for dose calculations. Furthermore, the default value of the BEAMnrc parameter 'skin depth' for the boundary crossing algorithm was found to be inadequate for the modelling of small electron fields. A higher value for this parameter eliminated discrepancies in too broad dose profiles and an increased dose along the central axis. The beam model was validated with measurements, whereby an agreement mostly within 3%/3 mm was found.

  8. An Event-Driven Hybrid Molecular Dynamics and Direct Simulation Monte Carlo Algorithm

    SciTech Connect

    Donev, A; Garcia, A L; Alder, B J

    2007-07-30

    A novel algorithm is developed for the simulation of polymer chains suspended in a solvent. The polymers are represented as chains of hard spheres tethered by square wells and interact with the solvent particles with hard core potentials. The algorithm uses event-driven molecular dynamics (MD) for the simulation of the polymer chain and the interactions between the chain beads and the surrounding solvent particles. The interactions between the solvent particles themselves are not treated deterministically as in event-driven algorithms, rather, the momentum and energy exchange in the solvent is determined stochastically using the Direct Simulation Monte Carlo (DSMC) method. The coupling between the solvent and the solute is consistently represented at the particle level, however, unlike full MD simulations of both the solvent and the solute, the spatial structure of the solvent is ignored. The algorithm is described in detail and applied to the study of the dynamics of a polymer chain tethered to a hard wall subjected to uniform shear. The algorithm closely reproduces full MD simulations with two orders of magnitude greater efficiency. Results do not confirm the existence of periodic (cycling) motion of the polymer chain.

  9. Integration of conflict into integrative taxonomy: fitting hybridization in species delimitation of Mesocarabus (Coleoptera: Carabidae).

    PubMed

    Andújar, C; Arribas, P; Ruiz, C; Serrano, J; Gómez-Zurita, J

    2014-09-01

    In species differentiation, characters may not diverge synchronously, and there are also processes that shuffle character states in lineages descendant from a common ancestor. Species are thus expected to show some degree of incongruence among characters; therefore, taxonomic delimitation can benefit from integrative approaches and objective strategies that account for character conflict. We illustrate the potential of exploiting conflict for species delimitation in a study case of ground beetles of the subgenus Carabus (Mesocarabus), where traditional taxonomy does not accurately delimit species. The molecular phylogenies of four mitochondrial and three nuclear genes, cladistic analysis of the aedeagus, ecological niche divergence and morphometry of pronotal shape in more than 500 specimens of Mesocarabus show that these characters are not fully congruent. For these data, a three-step operational strategy is proposed for species delimitation by (i) delineating candidate species based on the integration of incongruence among conclusive lines of evidence, (ii) corroborating candidate species with inconclusive lines of evidence and (iii) refining a final species proposal based on an integrated characterization of candidate species based on the evolutionary analysis of incongruence. This procedure provided a general understanding of the reticulate process of hybridization and introgression acting on Mesocarabus and generated the hypothesis of seven Mesocarabus species, including two putative hybrid lineages. Our work emphasizes the importance of incorporating critical analyses of character and phylogenetic conflict to infer both the evolutionary history and species boundaries through an integrative taxonomic approach. PMID:24828576

  10. Hybrid automated reliability predictor integrated work station (HiREL)

    NASA Technical Reports Server (NTRS)

    Bavuso, Salvatore J.

    1991-01-01

    The Hybrid Automated Reliability Predictor (HARP) integrated reliability (HiREL) workstation tool system marks another step toward the goal of producing a totally integrated computer aided design (CAD) workstation design capability. Since a reliability engineer must generally graphically represent a reliability model before he can solve it, the use of a graphical input description language increases productivity and decreases the incidence of error. The captured image displayed on a cathode ray tube (CRT) screen serves as a documented copy of the model and provides the data for automatic input to the HARP reliability model solver. The introduction of dependency gates to a fault tree notation allows the modeling of very large fault tolerant system models using a concise and visually recognizable and familiar graphical language. In addition to aiding in the validation of the reliability model, the concise graphical representation presents company management, regulatory agencies, and company customers a means of expressing a complex model that is readily understandable. The graphical postprocessor computer program HARPO (HARP Output) makes it possible for reliability engineers to quickly analyze huge amounts of reliability/availability data to observe trends due to exploratory design changes.

  11. [Montérégie Comprehensive Cancer Care Centre: integrating nurse navigators in Montérégie's oncology teams: the process. Part 2].

    PubMed

    Plante, Anne; Joannette, Sonia

    2009-01-01

    Quebec's Oncology Nurse Navigators (or "IPOs" after their French acronym) have been integrated in the entire Montérégie health care region. They have been agents of change mandated with implementing a philosophy of care that centres on the patients and their families, and is delivered by oncology teams. The goal of this second article is to describe the role of IPOs in practice, the problems encountered in the various contexts and the solutions brought forward to facilitate their integration. The training of IPOs, the support they receive from administrators, the deployment of interdisciplinary teams dedicated to oncology, the holding of regular structured interdisciplinary meetings and the training of professionals, and development of standardized work instruments are discussed. The observed impacts of introducing IPOs will also be examined. PMID:19757765

  12. Improved measurement scheme of the self energy in the worm-sampled hybridization-expansion quantum Monte Carlo

    NASA Astrophysics Data System (ADS)

    Han, Mancheon; Lee, Choong-Ki; Choi, Hyoung Joon

    Hybridization-expansion continuous-time quantum Monte Carlo (CT-HYB) is a popular approach in real material researches because it allows to deal with non-density-density-type interaction. In the conventional CT-HYB, we measure Green's function and find the self energy from the Dyson equation. Because one needs to compute the inverse of the statistical data in this approach, obtained self energy is very sensitive to statistical noise. For that reason, the measurement is not reliable except for low frequencies. Such an error can be suppressed by measuring a special type of higher-order correlation function and is implemented for density-density-type interaction. With the help of the recently reported worm-sampling measurement, we developed an improved self energy measurement scheme which can be applied to any type of interactions. As an illustration, we calculated the self energy for the 3-orbital Hubbard-Kanamori-type Hamiltonian with our newly developed method. This work was supported by NRF of Korea (Grant No. 2011-0018306) and KISTI supercomputing center (Project No. KSC-2015-C3-039)

  13. Comparison of symbolic and numerical integration methods for an assumed-stress hybrid shell element

    NASA Technical Reports Server (NTRS)

    Rengarajan, Govind; Knight, Norman F., Jr.; Aminpour, Mohammad A.

    1993-01-01

    Hybrid shell elements have long been regarded with reserve by the commercial finite element developers despite the high degree of reliability and accuracy associated with such formulations. The fundamental reason is the inherent higher computational cost of the hybrid approach as compared to the displacement-based formulations. However, a noteworthy factor in favor of hybrid elements is that numerical integration to generate element matrices can be entirely avoided by the use of symbolic integration. In this paper, the use of the symbolic computational approach is presented for an assumed-stress hybrid shell element with drilling degrees of freedom and the significant time savings achieved is demonstrated through an example.

  14. Path-Integral Monte Carlo and the Squeezed Trapped Bose-Einstein Gas

    SciTech Connect

    Fernandez, Juan Pablo; Mullin, William J.

    2006-09-07

    Bose-Einstein condensation has been experimentally found to take place in finite trapped systems when one of the confining frequencies is increased until the gas becomes effectively two-dimensional (2D). We confirm the plausibility of this result by performing path-integral Monte Carlo (PIMC) simulations of trapped Bose gases of increasing anisotropy and comparing them to the predictions of finite-temperature many-body theory. PIMC simulations provide an essentially exact description of these systems; they yield the density profile directly and provide two different estimates for the condensate fraction. For the ideal gas, we find that the PIMC column density of the squeezed gas corresponds quite accurately to that of the exact analytic solution and, moreover, is well mimicked by the density of a 2D gas at the same temperature; the two estimates for the condensate fraction bracket the exact result. For the interacting case, we find 2D Hartree-Fock solutions whose density profiles coincide quite well with the PIMC column densities and whose predictions for the condensate fraction are again bracketed by the PIMC estimates.

  15. Excitonic effects in 2D semiconductors: Path Integral Monte Carlo approach

    NASA Astrophysics Data System (ADS)

    Velizhanin, Kirill; Saxena, Avadh

    One of the most striking features of novel 2D semiconductors (e.g., transition metal dichalcogenide monolayers or phosphorene) is a strong Coulomb interaction between charge carriers resulting in large excitonic effects. In particular, this leads to the formation of multi-carrier bound states (e.g., excitons, trions and biexcitons), which could remain stable at near-room temperatures and contribute significantly to optical properties of such materials. In my talk, I will report on our recent progress in using the Path Integral Monte Carlo methodology to numerically study properties of multi-carrier bound states in 2D semiconductors. Incorporating the effect of the dielectric confinement (via Keldysh potential), we have investigated and tabulated the dependence of single exciton, trion and biexciton binding energies on the strength of dielectric screening, including the limiting cases of very strong and very weak screening. The implications of the obtained results and the possible limitations of the used model will be discussed. The results of this work are potentially useful in the analysis of experimental data and benchmarking of theoretical and computational models.

  16. Monte Carlo simulation studies of lipid order parameter profiles near integral membrane proteins.

    PubMed Central

    Sperotto, M M; Mouritsen, O G

    1991-01-01

    Monte Carlo simulation techniques have been applied to a statistical mechanical lattice model in order to study the coherence length for the spatial fluctuations of the lipid order parameter profiles around integral membrane proteins in dipalmitoyl phosphatidylcholine bilayers. The model, which provides a detailed description of the pure lipid bilayer main transition, incorporates hydrophobic matching between the lipid and protein hydrophobic thicknesses as a major contribution to the lipid-protein interactions in lipid membranes. The model is studied at low protein-to-lipid ratios. The temperature dependence of the coherence length is found to have a dramatic peak at the phase transition temperature. The dependence on protein circumference as well as hydrophobic length is determined and it is concluded that in some cases the coherence length is much longer than previously anticipated. The long coherence length provides a mechanism for indirect lipid-mediated protein-protein long-range attraction and hence plays an important role in regulating protein segregation. Images FIGURE 5 FIGURE 6 PMID:2009352

  17. Hybrid integrated photonic components based on a polymer platform

    NASA Astrophysics Data System (ADS)

    Eldada, Louay A.

    2003-06-01

    We report on a polymer-on-silicon optical bench platform that enables the hybrid integration of elemental passive and active optical functions. Planar polymer circuits are produced photolithographically, and slots are formed in them for the insertion of chips and films of a variety of materials. The polymer circuits provide interconnects, static routing elements such as couplers, taps, and multi/demultiplexers, as well as thermo-optically dynamic elements such as switches, variable optical attenuators, and tunable notch filters. Crystal-ion-sliced thin films of lithium niobate are inserted in the polymer circuit for polarization control or for electro-optic modulation. Films of yttrium iron garnet and neodymium iron boron magnets are inserted in order to magneto-optically achieve non-reciprocal operation for isolation and circulation. Indium phosphide and gallium arsenide chips are inserted for light generation, amplification, and detection, as well as wavelength conversion. The functions enabled by this multi-material platform span the range of the building blocks needed in optical circuits, while using the highest-performance material system for each function. We demonstrated complex-functionality photonic components based on this technology, including a metro ring node module and a tunable optical transmitter. The metro ring node chip includes switches, variable optical attenuators, taps, and detectors; it enables optical add/drop multiplexing, power monitoring, and automatic load balancing, and it supports shared and dedicated protection protocols in two-fiber metro ring optical networks. The tunable optical transmitter chip includes a tunable external cavity laser, an isolator, and a high-speed modulator.

  18. Integrated TIGER Series of Coupled Electron/Photon Monte Carlo Transport Codes System.

    Energy Science and Technology Software Center (ESTSC)

    2012-11-30

    Version: 00 Distribution is restricted to US Government Agencies and Their Contractors Only. The Integrated Tiger Series (ITS) is a powerful and user-friendly software package permitting state-of-the-art Monte Carlo solution of linear time-independent coupled electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields of arbitrary spatial dependence. The goal has been to simultaneously maximize operational simplicity and physical accuracy. Through a set of preprocessor directives, the user selects onemore » of the many ITS codes. The ease with which the makefile system is applied combines with an input scheme based on order-independent descriptive keywords that makes maximum use of defaults and internal error checking to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Physical rigor is provided by employing accurate cross sections, sampling distributions, and physical models for describing the production and transport of the electron/photon cascade from 1.0 GeV down to 1.0 keV. The availability of source code permits the more sophisticated user to tailor the codes to specific applications and to extend the capabilities of the codes to more complex applications. Version 6, the latest version of ITS, contains (1) improvements to the ITS 5.0 codes, and (2) conversion to Fortran 95. The general user friendliness of the software has been enhanced through memory allocation to reduce the need for users to modify and recompile the code.« less

  19. Integrated TIGER Series of Coupled Electron/Photon Monte Carlo Transport Codes System.

    SciTech Connect

    VALDEZ, GREG D.

    2012-11-30

    Version: 00 Distribution is restricted to US Government Agencies and Their Contractors Only. The Integrated Tiger Series (ITS) is a powerful and user-friendly software package permitting state-of-the-art Monte Carlo solution of linear time-independent coupled electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields of arbitrary spatial dependence. The goal has been to simultaneously maximize operational simplicity and physical accuracy. Through a set of preprocessor directives, the user selects one of the many ITS codes. The ease with which the makefile system is applied combines with an input scheme based on order-independent descriptive keywords that makes maximum use of defaults and internal error checking to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Physical rigor is provided by employing accurate cross sections, sampling distributions, and physical models for describing the production and transport of the electron/photon cascade from 1.0 GeV down to 1.0 keV. The availability of source code permits the more sophisticated user to tailor the codes to specific applications and to extend the capabilities of the codes to more complex applications. Version 6, the latest version of ITS, contains (1) improvements to the ITS 5.0 codes, and (2) conversion to Fortran 95. The general user friendliness of the software has been enhanced through memory allocation to reduce the need for users to modify and recompile the code.

  20. Integration of hybrid wireless networks in cloud services oriented enterprise information systems

    NASA Astrophysics Data System (ADS)

    Li, Shancang; Xu, Lida; Wang, Xinheng; Wang, Jue

    2012-05-01

    This article presents a hybrid wireless network integration scheme in cloud services-based enterprise information systems (EISs). With the emerging hybrid wireless networks and cloud computing technologies, it is necessary to develop a scheme that can seamlessly integrate these new technologies into existing EISs. By combining the hybrid wireless networks and computing in EIS, a new framework is proposed, which includes frontend layer, middle layer and backend layers connected to IP EISs. Based on a collaborative architecture, cloud services management framework and process diagram are presented. As a key feature, the proposed approach integrates access control functionalities within the hybrid framework that provide users with filtered views on available cloud services based on cloud service access requirements and user security credentials. In future work, we will implement the proposed framework over SwanMesh platform by integrating the UPnP standard into an enterprise information system.

  1. Hybrid diagnostic system: beacon-based exception analysis for multimissions - Livingstone integration

    NASA Technical Reports Server (NTRS)

    Park, Han G.; Cannon, Howard; Bajwa, Anupa; Mackey, Ryan; James, Mark; Maul, William

    2004-01-01

    This paper describes the initial integration of a hybrid reasoning system utilizing a continuous domain feature-based detector, Beacon-based Exceptions Analysis for Multimissions (BEAM), and a discrete domain model-based reasoner, Livingstone.

  2. Integrated graphene/nanoparticle hybrids for biological and electronic applications.

    PubMed

    Nguyen, Kim Truc; Zhao, Yanli

    2014-06-21

    The development of novel graphene/nanoparticle hybrid materials is currently the subject of tremendous research interest. The intrinsic exceptional assets of both graphene (including graphene oxide and reduced graphene oxide) and nanoparticles render their hybrid materials synergic properties that can be useful in various applications. In this feature review, we highlight recent developments in graphene/nanoparticle hybrids and their promising potential in electronic and biological applications. First, the latest advances in synthetic methods for the preparation of the graphene/nanoparticle hybrids are introduced, with the emphasis on approaches to (1) decorate nanoparticles onto two-dimensional graphene and (2) wrap nanoparticles with graphene sheets. The pros and cons of large-scale synthesis are also discussed. Then, the state-of-the-art of graphene/nanoparticle hybrids in electronic and biological applications is reviewed. For electronic applications, we focus on the advantages of using these hybrids in transparent conducting films, as well as energy harvesting and storage. Biological applications, electrochemical biosensing, bioimaging, and drug delivery using the hybrids are showcased. Finally, the future research prospects and challenges in this rapidly developing area are discussed. PMID:24752364

  3. Integrated graphene/nanoparticle hybrids for biological and electronic applications

    NASA Astrophysics Data System (ADS)

    Nguyen, Kim Truc; Zhao, Yanli

    2014-05-01

    The development of novel graphene/nanoparticle hybrid materials is currently the subject of tremendous research interest. The intrinsic exceptional assets of both graphene (including graphene oxide and reduced graphene oxide) and nanoparticles render their hybrid materials synergic properties that can be useful in various applications. In this feature review, we highlight recent developments in graphene/nanoparticle hybrids and their promising potential in electronic and biological applications. First, the latest advances in synthetic methods for the preparation of the graphene/nanoparticle hybrids are introduced, with the emphasis on approaches to (1) decorate nanoparticles onto two-dimensional graphene and (2) wrap nanoparticles with graphene sheets. The pros and cons of large-scale synthesis are also discussed. Then, the state-of-the-art of graphene/nanoparticle hybrids in electronic and biological applications is reviewed. For electronic applications, we focus on the advantages of using these hybrids in transparent conducting films, as well as energy harvesting and storage. Biological applications, electrochemical biosensing, bioimaging, and drug delivery using the hybrids are showcased. Finally, the future research prospects and challenges in this rapidly developing area are discussed.

  4. A hybrid Monte Carlo/fluid model of RF plasmas in a SiH sub 4 /H sub 2 mixture

    SciTech Connect

    Sato, N. . Faculty of Education); Tagashira, H. . Faculty of Engineering)

    1991-04-01

    A fluid model for simulating the capacitively coupled steady RF plasmas in a monosilane - hydrogen mixture under plasma-processing conditions is developed. This model includes Monte Carlo treatment for electron transport properties in the mixture. The Monte Carlo simulation shows that the electron transport phenomena in the nonuniform RF field of 10 MHz are not in equilibrium with the local electric field. The nonequilibrium transport properties are incorporated in the fluid model (hybrid model) by modifying the equilibrium values of the swarm parameters using data from the Monte Carlo simulation. The continuity equations for electrons and ions with the modified swarm parameters are solved numerically using the SHASTA algorithm simultaneously with Poisson's equation and a circuit equation. Using this model, the spatio-temporal variations of the charged species and the electric field in the sheath region of the RF plasma are calculated. For obtaining the steady RF plasma structure, ion-induced slow processes such as recombination and diffusion of ions are calculated by combining the hybrid model with rate equations for ions. Using the calculated steady RF plasma structure, a preliminary calculation of the silyl (SiH{sub 3}) and hydrogen (H) radical distributions caused by the generation, diffusion, and reaction of the radicals are carried out. In this paper the effect of sticking on the profile of the radical distribution is presented.

  5. Streamline Integration using MPI-Hybrid Parallelism on a Large Multi-Core Architecture

    SciTech Connect

    Camp, David; Garth, Christoph; Childs, Hank; Pugmire, Dave; Joy, Kenneth I.

    2010-11-01

    Streamline computation in a very large vector field data set represents a significant challenge due to the non-local and datadependentnature of streamline integration. In this paper, we conduct a study of the performance characteristics of hybrid parallel programmingand execution as applied to streamline integration on a large, multicore platform. With multi-core processors now prevalent in clustersand supercomputers, there is a need to understand the impact of these hybrid systems in order to make the best implementation choice.We use two MPI-based distribution approaches based on established parallelization paradigms, parallelize-over-seeds and parallelize-overblocks,and present a novel MPI-hybrid algorithm for each approach to compute streamlines. Our findings indicate that the work sharing betweencores in the proposed MPI-hybrid parallel implementation results in much improved performance and consumes less communication andI/O bandwidth than a traditional, non-hybrid distributed implementation.

  6. Evaluation of Monte Carlo Electron-Transport Algorithms in the Integrated Tiger Series Codes for Stochastic-Media Simulations

    NASA Astrophysics Data System (ADS)

    Franke, Brian C.; Kensek, Ronald P.; Prinja, Anil K.

    2014-06-01

    Stochastic-media simulations require numerous boundary crossings. We consider two Monte Carlo electron transport approaches and evaluate accuracy with numerous material boundaries. In the condensed-history method, approximations are made based on infinite-medium solutions for multiple scattering over some track length. Typically, further approximations are employed for material-boundary crossings where infinite-medium solutions become invalid. We have previously explored an alternative "condensed transport" formulation, a Generalized Boltzmann-Fokker-Planck GBFP method, which requires no special boundary treatment but instead uses approximations to the electron-scattering cross sections. Some limited capabilities for analog transport and a GBFP method have been implemented in the Integrated Tiger Series (ITS) codes. Improvements have been made to the condensed history algorithm. The performance of the ITS condensed-history and condensed-transport algorithms are assessed for material-boundary crossings. These assessments are made both by introducing artificial material boundaries and by comparison to analog Monte Carlo simulations.

  7. Integrated Cost and Schedule using Monte Carlo Simulation of a CPM Model - 12419

    SciTech Connect

    Hulett, David T.; Nosbisch, Michael R.

    2012-07-01

    This discussion of the recommended practice (RP) 57R-09 of AACE International defines the integrated analysis of schedule and cost risk to estimate the appropriate level of cost and schedule contingency reserve on projects. The main contribution of this RP is to include the impact of schedule risk on cost risk and hence on the need for cost contingency reserves. Additional benefits include the prioritizing of the risks to cost, some of which are risks to schedule, so that risk mitigation may be conducted in a cost-effective way, scatter diagrams of time-cost pairs for developing joint targets of time and cost, and probabilistic cash flow which shows cash flow at different levels of certainty. Integrating cost and schedule risk into one analysis based on the project schedule loaded with costed resources from the cost estimate provides both: (1) more accurate cost estimates than if the schedule risk were ignored or incorporated only partially, and (2) illustrates the importance of schedule risk to cost risk when the durations of activities using labor-type (time-dependent) resources are risky. Many activities such as detailed engineering, construction or software development are mainly conducted by people who need to be paid even if their work takes longer than scheduled. Level-of-effort resources, such as the project management team, are extreme examples of time-dependent resources, since if the project duration exceeds its planned duration the cost of these resources will increase over their budgeted amount. The integrated cost-schedule risk analysis is based on: - A high quality CPM schedule with logic tight enough so that it will provide the correct dates and critical paths during simulation automatically without manual intervention. - A contingency-free estimate of project costs that is loaded on the activities of the schedule. - Resolves inconsistencies between cost estimate and schedule that often creep into those documents as project execution proceeds

  8. [Montérégie Comprehensive Cancer Care Centre: integrating nurse navigators in Montérégie's oncology teams: one aspect of implementing the Cancer Control Program--Part 1].

    PubMed

    Plante, Anne; Joannette, Sonia

    2009-01-01

    The oncology patient navigator role was developed to ensure both continuity and consultation in the delivery of care to cancer patients and their families. In Québec, this role is filled by a nurse. This first article in a series of two, aims to explain why nurses were selected as patient navigators and to describe how this new role has been integrated in the Montérégie Region. The Québec Cancer Control Program, the definition established for the oncology nurse navigator role and the implementation of an integrated care network based on the Montérégie experience will be discussed. PMID:19530475

  9. The Integration of Psychomotor Skills in a Hybrid-PBL Dental Curriculum: The Clinical Clerkships.

    ERIC Educational Resources Information Center

    Walton, Joanne N.; MacNeil, M. A. J.; Harrison, Rosamund L.; Clark, D. Christopher

    1998-01-01

    Describes the restructuring of clinical clerkships at the University of British Columbia (Canada) dental school as part of a new, hybrid, problem-based learning (PBL) curriculum, focusing on strategies for integrating development of psychomotor skills. Methods of achieving both horizontal and vertical integration of competencies through grouping…

  10. Streamline Integration Using MPI-Hybrid Parallelism on a Large Multicore Architecture

    SciTech Connect

    Garth, Christoph

    2011-01-01

    Streamline computation in a very large vector field data set represents a significant challenge due to the nonlocal and data-dependent nature of streamline integration. In this paper, we conduct a study of the performance characteristics of hybrid parallel programming and execution as applied to streamline integration on a large, multicore platform. With multicore processors now prevalent in clusters and supercomputers, there is a need to understand the impact of these hybrid systems in order to make the best implementation choice. We use two MPI-based distribution approaches based on established parallelization paradigms, parallelize over seeds and parallelize over blocks, and present a novel MPI-hybrid algorithm for each approach to compute streamlines. Our findings indicate that the work sharing between cores in the proposed MPI-hybrid parallel implementation results in much improved performance and consumes less communication and I/O bandwidth than a traditional, nonhybrid distributed implementation.

  11. Streamline integration using MPI-hybrid parallelism on a large multicore architecture.

    PubMed

    Camp, David; Garth, Christoph; Childs, Hank; Pugmire, Dave; Joy, Kenneth I

    2011-11-01

    Streamline computation in a very large vector field data set represents a significant challenge due to the nonlocal and data-dependent nature of streamline integration. In this paper, we conduct a study of the performance characteristics of hybrid parallel programming and execution as applied to streamline integration on a large, multicore platform. With multicore processors now prevalent in clusters and supercomputers, there is a need to understand the impact of these hybrid systems in order to make the best implementation choice. We use two MPI-based distribution approaches based on established parallelization paradigms, parallelize over seeds and parallelize over blocks, and present a novel MPI-hybrid algorithm for each approach to compute streamlines. Our findings indicate that the work sharing between cores in the proposed MPI-hybrid parallel implementation results in much improved performance and consumes less communication and I/O bandwidth than a traditional, nonhybrid distributed implementation. PMID:21885895

  12. Integration Profile and Safety of an Adenovirus Hybrid-Vector Utilizing Hyperactive Sleeping Beauty Transposase for Somatic Integration

    PubMed Central

    Zhang, Wenli; Muck-Hausl, Martin; Wang, Jichang; Sun, Chuanbo; Gebbing, Maren; Miskey, Csaba; Ivics, Zoltan; Izsvak, Zsuzsanna; Ehrhardt, Anja

    2013-01-01

    We recently developed adenovirus/transposase hybrid-vectors utilizing the previously described hyperactive Sleeping Beauty (SB) transposase HSB5 for somatic integration and we could show stabilized transgene expression in mice and a canine model for hemophilia B. However, the safety profile of these hybrid-vectors with respect to vector dose and genotoxicity remains to be investigated. Herein, we evaluated this hybrid-vector system in C57Bl/6 mice with escalating vector dose settings. We found that in all mice which received the hyperactive SB transposase, transgene expression levels were stabilized in a dose-dependent manner and that the highest vector dose was accompanied by fatalities in mice. To analyze potential genotoxic side-effects due to somatic integration into host chromosomes, we performed a genome-wide integration site analysis using linker-mediated PCR (LM-PCR) and linear amplification-mediated PCR (LAM-PCR). Analysis of genomic DNA samples obtained from HSB5 treated female and male mice revealed a total of 1327 unique transposition events. Overall the chromosomal distribution pattern was close-to-random and we observed a random integration profile with respect to integration into gene and non-gene areas. Notably, when using the LM-PCR protocol, 27 extra-chromosomal integration events were identified, most likely caused by transposon excision and subsequent transposition into the delivered adenoviral vector genome. In total, this study provides a careful evaluation of the safety profile of adenovirus/Sleeping Beauty transposase hybrid-vectors. The obtained information will be useful when designing future preclinical studies utilizing hybrid-vectors in small and large animal models. PMID:24124483

  13. Conformational Transition Pathways Explored by Monte Carlo Simulation Integrated with Collective Modes

    PubMed Central

    Kantarci-Carsibasi, Nigar; Haliloglu, Turkan; Doruker, Pemra

    2008-01-01

    Conformational transitions between open/closed or free/bound states in proteins possess functional importance. We propose a technique in which the collective modes obtained from an anisotropic network model (ANM) are used in conjunction with a Monte Carlo (MC) simulation approach, to investigate conformational transition pathways and pathway intermediates. The ANM-MC technique is applied to adenylate kinase (AK) and hemoglobin. The iterative method, in which normal modes are continuously updated during the simulation, proves successful in accomplishing the transition between open-closed conformations of AK and tense-relaxed forms of hemoglobin (Cα− root mean square deviations between two end structures of 7.13 Å and 3.55 Å, respectively). Target conformations are reached by root mean-square deviations of 2.27 Å and 1.90 Å for AK and hemoglobin, respectively. The intermediate conformations overlap with crystal structures from the AK family within a 3.0-Å root mean-square deviation. In the case of hemoglobin, the transition of tense-to-relaxed passes through the relaxed state. In both cases, the lowest-frequency modes are effective during transitions. The targeted Monte Carlo approach is used without the application of collective modes. Both the ANM-MC and targeted Monte Carlo techniques can explore sequences of events in transition pathways with an efficient yet realistic conformational search. PMID:18676657

  14. Propulsion integration for a hybrid propulsive-lift system

    NASA Technical Reports Server (NTRS)

    Bowden, M. K.; Renshaw, J. H.; Sweet, H. S.

    1974-01-01

    In a discussion of STOL vehicles with conventional high-lift devices, the need for efficient power-augmented lift systems is presented, and the implications of quiet operation are noted. The underlying philosophy of a promising hybrid lift system with major interactions between aerodynamic, thermodynamic, acoustic, and configuration design technologies is derived. The technique by which engine and airframe-related characteristics for this application may be matched in an optimum manner is described and illustrated by describing the features of a particular short-haul commercial STOL vehicle.

  15. Mercedes–Benz water molecules near hydrophobic wall: Integral equation theories vs Monte Carlo simulations

    PubMed Central

    Urbic, T.; Holovko, M. F.

    2011-01-01

    Associative version of Henderson-Abraham-Barker theory is applied for the study of Mercedes–Benz model of water near hydrophobic surface. We calculated density profiles and adsorption coefficients using Percus-Yevick and soft mean spherical associative approximations. The results are compared with Monte Carlo simulation data. It is shown that at higher temperatures both approximations satisfactory reproduce the simulation data. For lower temperatures, soft mean spherical approximation gives good agreement at low and at high densities while in at mid range densities, the prediction is only qualitative. The formation of a depletion layer between water and hydrophobic surface was also demonstrated and studied. PMID:21992334

  16. Mercedes-Benz water molecules near hydrophobic wall: Integral equation theories vs Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Urbic, T.; Holovko, M. F.

    2011-10-01

    Associative version of Henderson-Abraham-Barker theory is applied for the study of Mercedes-Benz model of water near hydrophobic surface. We calculated density profiles and adsorption coefficients using Percus-Yevick and soft mean spherical associative approximations. The results are compared with Monte Carlo simulation data. It is shown that at higher temperatures both approximations satisfactory reproduce the simulation data. For lower temperatures, soft mean spherical approximation gives good agreement at low and at high densities while in at mid range densities, the prediction is only qualitative. The formation of a depletion layer between water and hydrophobic surface was also demonstrated and studied.

  17. Mercedes-Benz water molecules near hydrophobic wall: integral equation theories vs Monte Carlo simulations.

    PubMed

    Urbic, T; Holovko, M F

    2011-10-01

    Associative version of Henderson-Abraham-Barker theory is applied for the study of Mercedes-Benz model of water near hydrophobic surface. We calculated density profiles and adsorption coefficients using Percus-Yevick and soft mean spherical associative approximations. The results are compared with Monte Carlo simulation data. It is shown that at higher temperatures both approximations satisfactory reproduce the simulation data. For lower temperatures, soft mean spherical approximation gives good agreement at low and at high densities while in at mid range densities, the prediction is only qualitative. The formation of a depletion layer between water and hydrophobic surface was also demonstrated and studied. PMID:21992334

  18. Hybrid-integrated prism array optoelectronic targeting system

    NASA Astrophysics Data System (ADS)

    Chang, C. C.; Chang, H. C.; Tang, L. C.; Young, W. K.; Wang, J. C.; Huang, K. L.

    2005-11-01

    This investigation proposes a cost-effective, compact, and robust optoelectronic targeting system for measuring ballistic impact velocity and the distribution of projectile motion. The major elements of this system are four photo-gates hybridized by compound one-dimensional prism array and analog/digital electronic components. The number of light sources and photodetectors used in a photo-gate was reduced to one pair of light source and photodetector. The average velocity and location of the projectile are determined according to the measured time intervals ( ˜10 -8 s) passing each pair. The system can accurately measure the velocity of a bullet as it leaves a gun barrel, as well as the velocity at specific points along the trajectory outside the firearm. Additionally, the system uses a widespread low-powered laser pointer as a light source. Compared with other optoelectronic targeting systems that use high-powered lasers, the proposed system is both economical and safe.

  19. Hybrid Integrated Label-Free Chemical and Biological Sensors

    PubMed Central

    Mehrabani, Simin; Maker, Ashley J.; Armani, Andrea M.

    2014-01-01

    Label-free sensors based on electrical, mechanical and optical transduction methods have potential applications in numerous areas of society, ranging from healthcare to environmental monitoring. Initial research in the field focused on the development and optimization of various sensor platforms fabricated from a single material system, such as fiber-based optical sensors and silicon nanowire-based electrical sensors. However, more recent research efforts have explored designing sensors fabricated from multiple materials. For example, synthetic materials and/or biomaterials can also be added to the sensor to improve its response toward analytes of interest. By leveraging the properties of the different material systems, these hybrid sensing devices can have significantly improved performance over their single-material counterparts (better sensitivity, specificity, signal to noise, and/or detection limits). This review will briefly discuss some of the methods for creating these multi-material sensor platforms and the advances enabled by this design approach. PMID:24675757

  20. Conceptual Integration of Hybridization by Algerian Students Intending to Teach Physical Sciences

    ERIC Educational Resources Information Center

    Salah, Hazzi; Dumon, Alain

    2011-01-01

    This work aims to assess the difficulties encountered by students of the Ecole Normale Superieure of Kouba (Algeria) intending to teach physical science in the integration of the hybridization of atomic orbitals. It is a concept that they should use in describing the formation of molecular orbitals ([sigma] and [pi]) in organic chemistry and gaps…

  1. Efficient ethanol recovery from fermentation broths with integrated distillation-vapor permeation hybrid process

    EPA Science Inventory

    The energy demand of distillation-molecular sieve systems for ethanol recovery/dehydration can be significant, particularly for dilute solutions. An alternative hybrid process integrating vapor stripping (like a beer still) with vapor compression and a vapor permeation membrane s...

  2. Hybrid integration of carbon nanotubes into silicon slot photonic structures

    NASA Astrophysics Data System (ADS)

    Durán Valdeiglesias, E.; Zhang, W.; Hoang, H. C.; Alonso-Ramos, C.; Noury, A.; Serna, S.; Le Roux, X.; Cassan, E.; Izard, N.; Sarti, F.; Torrini, U.; Balestrieri, M.; Keita, A.-S.; Yang, H.; Bezugly, V.; Vinattieri, A.; Cuniberti, G.; Filoramo, A.; Gurioli, M.; Vivien, L.

    2016-03-01

    Silicon photonics, due to its compatibility with the CMOS platform and unprecedented integration capability, has become the preferred solution for the implementation of next generation optical interconnects. However, current Si photonics require on-chip integration of several materials, including III-V for lasing, doped silicon for modulation and Ge for detection. The very different requirements of these materials result in complex fabrication processes that offset the cost-effectiveness of the Si photonics approach. We are developing an alternative route towards the integration of optoelectronic devices in Si photonic, relying on the use of single wall carbon nanotubes (SWNTs). SWNTs can be considered as a Si compatible material able to emit, modulate and detect near-infrared light. Hence, they hold a unique potential to implement all active devices in the Si photonics platform. In addition, solution processed SWNTs can be integrated on Si using spin-coating techniques, obviating the need of complex epitaxial growth or chip bonding approaches. Here, we report on our recent progress in the coupling of SWNTs light emission into optical resonators implemented on the silicon-on-insulator (SOI) platform.

  3. Quantum effects in a free-standing graphene lattice: Path-integral against classical Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Brito, B. G. A.; Cândido, Ladir; Hai, G.-Q.; Peeters, F. M.

    2015-11-01

    In order to study quantum effects in a two-dimensional crystal lattice of a free-standing monolayer graphene, we have performed both path-integral Monte Carlo (PIMC) and classical Monte Carlo (MC) simulations for temperatures up to 2000 K. The REBO potential is used for the interatomic interaction. The total energy, interatomic distance, root-mean-square displacement of the atom vibrations, and the free energy of the graphene layer are calculated. The obtained lattice vibrational energy per atom from the classical MC simulation is very close to the energy of a three-dimensional harmonic oscillator 3 kBT . The PIMC simulation shows that quantum effects due to zero-point vibrations are significant for temperatures T <1000 K. The quantum contribution to the lattice vibrational energy becomes larger than that of the classical lattice for T <400 K. The lattice expansion due to the zero-point motion causes an increase of 0.53% in the lattice parameter. A minimum in the lattice parameter appears at T ≃500 K. Quantum effects on the atomic vibration amplitude of the graphene lattice and its free energy are investigated.

  4. Mercury + VisIt: Integration of a Real-Time Graphical Analysis Capability into a Monte Carlo Transport Code

    SciTech Connect

    O'Brien, M J; Procassini, R J; Joy, K I

    2009-03-09

    Validation of the problem definition and analysis of the results (tallies) produced during a Monte Carlo particle transport calculation can be a complicated, time-intensive processes. The time required for a person to create an accurate, validated combinatorial geometry (CG) or mesh-based representation of a complex problem, free of common errors such as gaps and overlapping cells, can range from days to weeks. The ability to interrogate the internal structure of a complex, three-dimensional (3-D) geometry, prior to running the transport calculation, can improve the user's confidence in the validity of the problem definition. With regard to the analysis of results, the process of extracting tally data from printed tables within a file is laborious and not an intuitive approach to understanding the results. The ability to display tally information overlaid on top of the problem geometry can decrease the time required for analysis and increase the user's understanding of the results. To this end, our team has integrated VisIt, a parallel, production-quality visualization and data analysis tool into Mercury, a massively-parallel Monte Carlo particle transport code. VisIt provides an API for real time visualization of a simulation as it is running. The user may select which plots to display from the VisIt GUI, or by sending VisIt a Python script from Mercury. The frequency at which plots are updated can be set and the user can visualize the simulation results as it is running.

  5. The theory of hybrid stochastic algorithms

    SciTech Connect

    Kennedy, A.D. . Supercomputer Computations Research Inst.)

    1989-11-21

    These lectures introduce the family of Hybrid Stochastic Algorithms for performing Monte Carlo calculations in Quantum Field Theory. After explaining the basic concepts of Monte Carlo integration we discuss the properties of Markov processes and one particularly useful example of them: the Metropolis algorithm. Building upon this framework we consider the Hybrid and Langevin algorithms from the viewpoint that they are approximate versions of the Hybrid Monte Carlo method; and thus we are led to consider Molecular Dynamics using the Leapfrog algorithm. The lectures conclude by reviewing recent progress in these areas, explaining higher-order integration schemes, the asymptotic large-volume behaviour of the various algorithms, and some simple exact results obtained by applying them to free field theory. It is attempted throughout to give simple yet correct proofs of the various results encountered. 38 refs.

  6. Path-Integral Monte Carlo Study on a Droplet of a Dipolar Bose–Einstein Condensate Stabilized by Quantum Fluctuation

    NASA Astrophysics Data System (ADS)

    Saito, Hiroki

    2016-05-01

    Motivated by recent experiments [H. Kadau et al., Nature (London) 530, 194 (2016); I. Ferrier-Barbut et al., arXiv:1601.03318] and theoretical prediction (F. Wächtler and L. Santos, arXiv:1601.04501), the ground state of a dysprosium Bose-Einstein condensate with strong dipole-dipole interaction is studied by the path-integral Monte Carlo method. It is shown that quantum fluctuation can stabilize the condensate against dipolar collapse.

  7. Development of Path Integral Monte Carlo Simulations with Localized Nodal Surfaces for Second-Row Elements.

    PubMed

    Militzer, Burkhard; Driver, Kevin P

    2015-10-23

    We extend the applicability range of fermionic path integral Monte Carlo simulations to heavier elements and lower temperatures by introducing various localized nodal surfaces. Hartree-Fock nodes yield the most accurate prediction for pressure and internal energy, which we combine with the results from density functional molecular dynamics simulations to obtain a consistent equation of state for hot, dense silicon under plasma conditions and in the regime of warm dense matter (2.3-18.6  g cm(-3), 5.0×10(5)-1.3×10(8)  K). The shock Hugoniot curve is derived and the structure of the fluid is characterized with various pair correlation functions. PMID:26551129

  8. Engineering three-dimensional hybrid supercapacitors and microsupercapacitors for high-performance integrated energy storage.

    PubMed

    El-Kady, Maher F; Ihns, Melanie; Li, Mengping; Hwang, Jee Youn; Mousavi, Mir F; Chaney, Lindsay; Lech, Andrew T; Kaner, Richard B

    2015-04-01

    Supercapacitors now play an important role in the progress of hybrid and electric vehicles, consumer electronics, and military and space applications. There is a growing demand in developing hybrid supercapacitor systems to overcome the energy density limitations of the current generation of carbon-based supercapacitors. Here, we demonstrate 3D high-performance hybrid supercapacitors and microsupercapacitors based on graphene and MnO2 by rationally designing the electrode microstructure and combining active materials with electrolytes that operate at high voltages. This results in hybrid electrodes with ultrahigh volumetric capacitance of over 1,100 F/cm(3). This corresponds to a specific capacitance of the constituent MnO2 of 1,145 F/g, which is close to the theoretical value of 1,380 F/g. The energy density of the full device varies between 22 and 42 Wh/l depending on the device configuration, which is superior to those of commercially available double-layer supercapacitors, pseudocapacitors, lithium-ion capacitors, and hybrid supercapacitors tested under the same conditions and is comparable to that of lead acid batteries. These hybrid supercapacitors use aqueous electrolytes and are assembled in air without the need for expensive "dry rooms" required for building today's supercapacitors. Furthermore, we demonstrate a simple technique for the fabrication of supercapacitor arrays for high-voltage applications. These arrays can be integrated with solar cells for efficient energy harvesting and storage systems. PMID:25831542

  9. Engineering three-dimensional hybrid supercapacitors and microsupercapacitors for high-performance integrated energy storage

    PubMed Central

    El-Kady, Maher F.; Ihns, Melanie; Li, Mengping; Hwang, Jee Youn; Mousavi, Mir F.; Chaney, Lindsay; Lech, Andrew T.; Kaner, Richard B.

    2015-01-01

    Supercapacitors now play an important role in the progress of hybrid and electric vehicles, consumer electronics, and military and space applications. There is a growing demand in developing hybrid supercapacitor systems to overcome the energy density limitations of the current generation of carbon-based supercapacitors. Here, we demonstrate 3D high-performance hybrid supercapacitors and microsupercapacitors based on graphene and MnO2 by rationally designing the electrode microstructure and combining active materials with electrolytes that operate at high voltages. This results in hybrid electrodes with ultrahigh volumetric capacitance of over 1,100 F/cm3. This corresponds to a specific capacitance of the constituent MnO2 of 1,145 F/g, which is close to the theoretical value of 1,380 F/g. The energy density of the full device varies between 22 and 42 Wh/l depending on the device configuration, which is superior to those of commercially available double-layer supercapacitors, pseudocapacitors, lithium-ion capacitors, and hybrid supercapacitors tested under the same conditions and is comparable to that of lead acid batteries. These hybrid supercapacitors use aqueous electrolytes and are assembled in air without the need for expensive “dry rooms” required for building today’s supercapacitors. Furthermore, we demonstrate a simple technique for the fabrication of supercapacitor arrays for high-voltage applications. These arrays can be integrated with solar cells for efficient energy harvesting and storage systems. PMID:25831542

  10. Draft of M2 Report on Integration of the Hybrid Hydride Model into INL's MBM Framework for Review

    SciTech Connect

    Tikare, Veena; Weck, Philippe F.; Schultz, Peter A.; Clark, Blythe; Glazoff, Michael; Homer, Eric

    2014-07-01

    This report documents the development, demonstration and validation of a mesoscale, microstructural evolution model for simulation of zirconium hydride {delta}-ZrH{sub 1.5} precipitation in the cladding of used nuclear fuels that may occur during long-term dry storage. While the Zr-based claddings are manufactured free of any hydrogen, they absorb hydrogen during service, in the reactor by a process commonly termed ‘hydrogen pick-up’. The precipitation and growth of zirconium hydrides during dry storage is one of the most likely fuel rod integrity failure mechanisms either by embrittlement or delayed hydride cracking of the cladding. While the phenomenon is well documented and identified as a potential key failure mechanism during long-term dry storage (NUREG/CR-7116), the ability to actually predict the formation of hydrides is poor. The model being documented in this work is a computational capability for the prediction of hydride formation in different claddings of used nuclear fuels. This work supports the Used Fuel Disposition Research and Development Campaign in assessing the structural engineering performance of the cladding during and after long-term dry storage. This document demonstrates a basic hydride precipitation model that is built on a recently developed hybrid Potts-phase field model that combines elements of Potts-Monte Carlo and the phase-field models. The model capabilities are demonstrated along with the incorporation of the starting microstructure, thermodynamics of the Zr-H system and the hydride formation mechanism.

  11. Integration of SimSET photon history generator in GATE for efficient Monte Carlo simulations of pinhole SPECT

    PubMed Central

    Chen, Chia-Lin; Wang, Yuchuan; Lee, Jason J. S.; Tsui, Benjamin M. W.

    2008-01-01

    The authors developed and validated an efficient Monte Carlo simulation (MCS) workflow to facilitate small animal pinhole SPECT imaging research. This workflow seamlessly integrates two existing MCS tools: simulation system for emission tomography (SimSET) and GEANT4 application for emission tomography (GATE). Specifically, we retained the strength of GATE in describing complex collimator∕detector configurations to meet the anticipated needs for studying advanced pinhole collimation (e.g., multipinhole) geometry, while inserting the fast SimSET photon history generator (PHG) to circumvent the relatively slow GEANT4 MCS code used by GATE in simulating photon interactions inside voxelized phantoms. For validation, data generated from this new SimSET-GATE workflow were compared with those from GATE-only simulations as well as experimental measurements obtained using a commercial small animal pinhole SPECT system. Our results showed excellent agreement (e.g., in system point response functions and energy spectra) between SimSET-GATE and GATE-only simulations, and, more importantly, a significant computational speedup (up to ∼10-fold) provided by the new workflow. Satisfactory agreement between MCS results and experimental data were also observed. In conclusion, the authors have successfully integrated SimSET photon history generator in GATE for fast and realistic pinhole SPECT simulations, which can facilitate research in, for example, the development and application of quantitative pinhole and multipinhole SPECT for small animal imaging. This integrated simulation tool can also be adapted for studying other preclinical and clinical SPECT techniques. PMID:18697552

  12. Hybrid Integration of Graphene Analog and Silicon Complementary Metal-Oxide-Semiconductor Digital Circuits.

    PubMed

    Hong, Seul Ki; Kim, Choong Sun; Hwang, Wan Sik; Cho, Byung Jin

    2016-07-26

    We demonstrate a hybrid integration of a graphene-based analog circuit and a silicon-based digital circuit in order to exploit the strengths of both graphene and silicon devices. This mixed signal circuit integration was achieved using a three-dimensional (3-D) integration technique where a graphene FET multimode phase shifter is fabricated on top of a silicon complementary metal-oxide-semiconductor field-effect transistor (CMOS FET) ring oscillator. The process integration scheme presented here is compatible with the conventional silicon CMOS process, and thus the graphene circuit can successfully be integrated on current semiconductor technology platforms for various applications. This 3-D integration technique allows us to take advantage of graphene's excellent inherent properties and the maturity of current silicon CMOS technology for future electronics. PMID:27403730

  13. Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop

    PubMed Central

    Sali, Andrej; Berman, Helen M.; Schwede, Torsten; Trewhella, Jill; Kleywegt, Gerard; Burley, Stephen K.; Markley, John; Nakamura, Haruki; Adams, Paul; Bonvin, Alexandre M.J.J.; Chiu, Wah; Dal Peraro, Matteo; Di Maio, Frank; Ferrin, Thomas E.; Grünewald, Kay; Gutmanas, Aleksandras; Henderson, Richard; Hummer, Gerhard; Iwasaki, Kenji; Johnson, Graham; Lawson, Catherine L.; Meiler, Jens; Marti-Renom, Marc A.; Montelione, Gaetano T.; Nilges, Michael; Nussinov, Ruth; Patwardhan, Ardan; Rappsilber, Juri; Read, Randy J.; Saibil, Helen; Schröder, Gunnar F.; Schwieters, Charles D.; Seidel, Claus A. M.; Svergun, Dmitri; Topf, Maya; Ulrich, Eldon L.; Velankar, Sameer; Westbrook, John D.

    2016-01-01

    Summary Structures of biomolecular systems are increasingly computed by integrative modeling that relies on varied types of experimental data and theoretical information. We describe here the proceedings and conclusions from the first wwPDB Hybrid/Integrative Methods Task Force Workshop held at the European Bioinformatics Institute in Hinxton, UK, October 6 and 7, 2014. At the workshop, experts in various experimental fields of structural biology, experts in integrative modeling and visualization, and experts in data archiving addressed a series of questions central to the future of structural biology. How should integrative models be represented? How should the data and integrative models be validated? What data should be archived? How should the data and models be archived? What information should accompany the publication of integrative models? PMID:26095030

  14. Monte Carlo ray-tracing simulations of luminescent solar concentrators for building integrated photovoltaics

    NASA Astrophysics Data System (ADS)

    Leow, Shin Woei; Corrado, Carley; Osborn, Melissa; Carter, Sue A.

    2013-09-01

    Luminescent solar concentrators (LSCs) have the ability to receive light from a wide range of angles, concentrating the captured light onto small photo active areas. This enables greater incorporation of LSCs into building designs as windows, skylights and wall claddings in addition to rooftop installations of current solar panels. Using relatively cheap luminescent dyes and acrylic waveguides to effect light concentration onto lesser photovoltaic (PV) cells, there is potential for this technology to approach grid price parity. We employ a panel design in which the front facing PV cells collect both direct and concentrated light ensuring a gain factor greater than one. This also allows for flexibility in determining the placement and percentage coverage of PV cells during the design process to balance reabsorption losses against the power output and level of light concentration desired. To aid in design optimization, a Monte-Carlo ray tracing program was developed to study the transport of photons and loss mechanisms in LSC panels. The program imports measured absorption/emission spectra and transmission coefficients as simulation parameters with interactions of photons in the panel determined by comparing calculated probabilities with random number generators. LSC panels with multiple dyes or layers can also be simulated. Analysis of the results reveals optimal panel dimensions and PV cell layouts for maximum power output for a given dye concentration, absorbtion/emission spectrum and quantum efficiency.

  15. ITS Version 6 : the integrated TIGER series of coupled electron/photon Monte Carlo transport codes.

    SciTech Connect

    Franke, Brian Claude; Kensek, Ronald Patrick; Laub, Thomas William

    2008-04-01

    ITS is a powerful and user-friendly software package permitting state-of-the-art Monte Carlo solution of lineartime-independent coupled electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields of arbitrary spatial dependence. Our goal has been to simultaneously maximize operational simplicity and physical accuracy. Through a set of preprocessor directives, the user selects one of the many ITS codes. The ease with which the makefile system is applied combines with an input scheme based on order-independent descriptive keywords that makes maximum use of defaults and internal error checking to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Physical rigor is provided by employing accurate cross sections, sampling distributions, and physical models for describing the production and transport of the electron/photon cascade from 1.0 GeV down to 1.0 keV. The availability of source code permits the more sophisticated user to tailor the codes to specific applications and to extend the capabilities of the codes to more complex applications. Version 6, the latest version of ITS, contains (1) improvements to the ITS 5.0 codes, and (2) conversion to Fortran 90. The general user friendliness of the software has been enhanced through memory allocation to reduce the need for users to modify and recompile the code.

  16. hybrid\\scriptsize{{MANTIS}}: a CPU-GPU Monte Carlo method for modeling indirect x-ray detectors with columnar scintillators

    NASA Astrophysics Data System (ADS)

    Sharma, Diksha; Badal, Andreu; Badano, Aldo

    2012-04-01

    The computational modeling of medical imaging systems often requires obtaining a large number of simulated images with low statistical uncertainty which translates into prohibitive computing times. We describe a novel hybrid approach for Monte Carlo simulations that maximizes utilization of CPUs and GPUs in modern workstations. We apply the method to the modeling of indirect x-ray detectors using a new and improved version of the code \\scriptsize{{MANTIS}}, an open source software tool used for the Monte Carlo simulations of indirect x-ray imagers. We first describe a GPU implementation of the physics and geometry models in fast\\scriptsize{{DETECT}}2 (the optical transport model) and a serial CPU version of the same code. We discuss its new features like on-the-fly column geometry and columnar crosstalk in relation to the \\scriptsize{{MANTIS}} code, and point out areas where our model provides more flexibility for the modeling of realistic columnar structures in large area detectors. Second, we modify \\scriptsize{{PENELOPE}} (the open source software package that handles the x-ray and electron transport in \\scriptsize{{MANTIS}}) to allow direct output of location and energy deposited during x-ray and electron interactions occurring within the scintillator. This information is then handled by optical transport routines in fast\\scriptsize{{DETECT}}2. A load balancer dynamically allocates optical transport showers to the GPU and CPU computing cores. Our hybrid\\scriptsize{{MANTIS}} approach achieves a significant speed-up factor of 627 when compared to \\scriptsize{{MANTIS}} and of 35 when compared to the same code running only in a CPU instead of a GPU. Using hybrid\\scriptsize{{MANTIS}}, we successfully hide hours of optical transport time by running it in parallel with the x-ray and electron transport, thus shifting the computational bottleneck from optical to x-ray transport. The new code requires much less memory than \\scriptsize{{MANTIS}} and, as a result

  17. Finding linear dependencies in integration-by-parts equations: A Monte Carlo approach

    NASA Astrophysics Data System (ADS)

    Kant, Philipp

    2014-05-01

    The reduction of a large number of scalar integrals to a small set of master integrals via Laporta’s algorithm is common practice in multi-loop calculations. It is also a major bottleneck in terms of running time and memory consumption. It involves solving a large set of linear equations where many of the equations are linearly dependent. We propose a simple algorithm that eliminates all linearly dependent equations from a given system, reducing the time and space requirements of a subsequent run of Laporta’s algorithm.

  18. Integrated Chemical Systems: The Simultaneous Formation of Hybrid Nanocomposites of Iron Oxide and Organo Silsesquioxanes

    SciTech Connect

    Zhao, L; Clapsaddle, B; Jr., J S; Schaefer, D; Shea, K

    2004-10-15

    A sol-gel approach for the synthesis of hybrid nanocomposites of iron oxide and bridged polysilsesquioxanes has been established. The procedures allow for the simultaneous formation of iron oxide and polysilsesquioxane networks in monolithic xerogels and aerogels. These hybrid nanocomposites are synthesized from FeCl{sub 3} {center_dot} 6H{sub 2}O and functionalized silsesquioxane monomers in a one-pot reaction using epoxides as a gelation agent. The porosity and microstructure of the materials has been determined by nitrogen porosimetry, electron microscopy and ultra small angle X-ray scattering (USAXS). The hybrid nanocomposites exhibit a uniform dispersion of both components with no evidence for phase separation at length scales > 5 nm. At this limit of resolution it is not possible to distinguish between two independent interpenetrating networks integrated at molecular length scales or a random copolymer or mixtures of both.

  19. Path Integral Quantum Monte Carlo Study of Coupling and Proximity Effects in Superfluid Helium-4

    NASA Astrophysics Data System (ADS)

    Graves, Max T.

    When bulk helium-4 is cooled below T = 2.18 K, it undergoes a phase transition to a superfluid, characterized by a complex wave function with a macroscopic phase and exhibits inviscid, quantized flow. The macroscopic phase coherence can be probed in a container filled with helium-4, by reducing one or more of its dimensions until they are smaller than the coherence length, the spatial distance over which order propagates. As this dimensional reduction occurs, enhanced thermal and quantum fluctuations push the transition to the superfluid state to lower temperatures. However, this trend can be countered via the proximity effect, where a bulk 3-dimensional (3d) superfluid is coupled to a low (2d) dimensional superfluid via a weak link producing superfluid correlations in the film at temperatures above the Kosterlitz-Thouless temperature. Recent experiments probing the coupling between 3d and 2d superfluid helium-4 have uncovered an anomalously large proximity effect, leading to an enhanced superfluid density that cannot be explained using the correlation length alone. In this work, we have determined the origin of this enhanced proximity effect via large scale quantum Monte Carlo simulations of helium-4 in a topologically non-trivial geometry that incorporates the important aspects of the experiments. We find that due to the bosonic symmetry of helium-4, identical particle permutations lead to correlations between contiguous spatial regions at a length scale greater than the coherence length. We show that quantum exchange plays a large role in explaining the anomalous experimental results while simultaneously showing how classical arguments fall short of this task.

  20. Integrated Plasma Simulation of Lower Hybrid Current Drive in Tokamaks

    NASA Astrophysics Data System (ADS)

    Bonoli, P. T.; Wright, J. C.; Harvey, R. W.; Batchelor, D. B.; Berry, L. A.; Kessel, C. E.; Jardin, S. C.

    2012-03-01

    It has been shown in Alcator C-Mod that the onset time for sawteeth can be delayed significantly (up to 0.5 s) relative to ohmically heated plasmas, through the injection of off-axis LH current drive power [1]. We are simulating these experiments using the Integrated Plasma Simulator (IPS) [2], where the driven LH current density profiles are computed using a ray tracing component (GENRAY) and Fokker Planck code (CQL3D) [3] that are run in a tightly coupled time advance. The background plasma is evolved using the TSC transport code with the Porcelli sawtooth model [4]. Predictions of the driven LH current profiles will be compared with simpler ``reduced'' models for LHCD such as the LSC code which is implemented in TSC and which is also invoked within the IPS. [4pt] [1] C. E. Kessel et al, Bull. of the Am. Phys. Soc. 53, Poster PP6.00074 (2008). [0pt] [2] D. Batchelor et al, Journal of Physics: Conf. Series 125, 012039 (2008). [0pt] [3] R. W. Harvey and M. G. McCoy, Proc. of the IAEA Tech. Comm. Meeting on Simulation and Modeling of Therm. Plasmas, Montreal, Canada (1992). [0pt] [4] S. C. Jardin et al, J. Comp. Phys. 66, 481 (1986).

  1. Extraction of diffuse correlation spectroscopy flow index by integration of Nth-order linear model with Monte Carlo simulation

    SciTech Connect

    Shang, Yu; Lin, Yu; Yu, Guoqiang; Li, Ting; Chen, Lei; Toborek, Michal

    2014-05-12

    Conventional semi-infinite solution for extracting blood flow index (BFI) from diffuse correlation spectroscopy (DCS) measurements may cause errors in estimation of BFI (αD{sub B}) in tissues with small volume and large curvature. We proposed an algorithm integrating Nth-order linear model of autocorrelation function with the Monte Carlo simulation of photon migrations in tissue for the extraction of αD{sub B}. The volume and geometry of the measured tissue were incorporated in the Monte Carlo simulation, which overcome the semi-infinite restrictions. The algorithm was tested using computer simulations on four tissue models with varied volumes/geometries and applied on an in vivo stroke model of mouse. Computer simulations shows that the high-order (N ≥ 5) linear algorithm was more accurate in extracting αD{sub B} (errors < ±2%) from the noise-free DCS data than the semi-infinite solution (errors: −5.3% to −18.0%) for different tissue models. Although adding random noises to DCS data resulted in αD{sub B} variations, the mean values of errors in extracting αD{sub B} were similar to those reconstructed from the noise-free DCS data. In addition, the errors in extracting the relative changes of αD{sub B} using both linear algorithm and semi-infinite solution were fairly small (errors < ±2.0%) and did not rely on the tissue volume/geometry. The experimental results from the in vivo stroke mice agreed with those in simulations, demonstrating the robustness of the linear algorithm. DCS with the high-order linear algorithm shows the potential for the inter-subject comparison and longitudinal monitoring of absolute BFI in a variety of tissues/organs with different volumes/geometries.

  2. Quantum partition functions of composite particles in a hydrogen-helium plasma via path integral Monte Carlo

    SciTech Connect

    Wendland, D.; Ballenegger, V.; Alastuey, A.

    2014-11-14

    We compute two- and three-body cluster functions that describe contributions of composite entities, like hydrogen atoms, ions H{sup −}, H{sub 2}{sup +}, and helium atoms, and also charge-charge and atom-charge interactions, to the equation of state of a hydrogen-helium mixture at low density. A cluster function has the structure of a truncated virial coefficient and behaves, at low temperatures, like a usual partition function for the composite entity. Our path integral Monte Carlo calculations use importance sampling to sample efficiently the cluster partition functions even at low temperatures where bound state contributions dominate. We also employ a new and efficient adaptive discretization scheme that allows one not only to eliminate Coulomb divergencies in discretized path integrals, but also to direct the computational effort where particles are close and thus strongly interacting. The numerical results for the two-body function agree with the analytically known quantum second virial coefficient. The three-body cluster functions are compared at low temperatures with familiar partition functions for composite entities.

  3. Optimization of hybrid antireflection structure integrating surface texturing and multi-layer interference coating

    NASA Astrophysics Data System (ADS)

    Kubota, Shigeru; Kanomata, Kensaku; Suzuki, Takahiko; Hirose, Fumihiko

    2014-10-01

    The antireflection structure (ARS) for solar cells is categorized to mainly two different techniques, i.e., the surface texturing and the single or multi-layer antireflection interference coating. In this study, we propose a novel hybrid ARS, which integrates moth eye texturing and multi-layer coat, for application to organic photovoltaics (OPVs). Using optical simulations based on the finite-difference time-domain (FDTD) method, we conduct nearly global optimization of the geometric parameters characterizing the hybrid ARS. The proposed optimization algorithm consists of two steps: in the first step, we optimize the period and height of moth eye array, in the absence of multi-layer coating. In the second step, we optimize the whole structure of hybrid ARS by using the solution obtained by the first step as the starting search point. The methods of the simple grid search and the Hooke and Jeeves pattern search are used for global and local searches, respectively. In addition, we study the effects of deviations in the geometric parameters of hybrid ARS from their optimized values. The design concept of hybrid ARS is highly beneficial for broadband light trapping in OPVs.

  4. A Programmable MicroFluidic Processor: Integrated and Hybrid Solutions

    SciTech Connect

    Rose, K A

    2002-05-10

    The Programmable Fluidic Processor (PFP), a device conceived of by researchers at MD Anderson Cancer Center, is a reconfigurable and programmable bio-chemical analysis system designed for handheld operation in a variety of applications. Unlike most microfluidic systems which utilize channels to control fluids, the PFP device is a droplet-based system. The device is based on dielectrophoresis; a fluid transport phenomenon that utilizes mismatched polarizability between a droplet and its medium to induce droplet mobility. In the device, sample carrying droplets are polarized by an array of electrodes, individually addressable by subsurface microelectronics. My research focused on the development of a polymer-based microfluidic injection system for injecting these droplets onto the electrode array. The first of two device generations fabricated at LLNL was designed using extensive research and modeling performed by MD Anderson and Coventor. Fabricating the first generation required several iterations and design changes in order to generate an acceptable device for testing. Difficulties in planar fabrication of the fluidic system and a narrow channel design necessitated these changes. The second generation device incorporated modifications of the previous generation and improved on deficiencies discovered during experimentation with the initial device. Extensive modeling of the injection channels and fluid storage chamber also aided in redesigning the device's microfluidic system. A micromolding technique with interlocking features enabled precise alignments and dimensional control, critical requirements for device optimization. Fabrication of a final device will be fully integrated with the polymer-based microfluidics bonded directly to the silicon-based microelectronics. The optimized design and process flow developed in the trial generations will readily transfer to this approach.

  5. Overview of ERA Integrated Technology Demonstration (ITD) 51A Ultra-High Bypass (UHB) Integration for Hybrid Wing Body (HWB)

    NASA Technical Reports Server (NTRS)

    Flamm, Jeffrey D.; James, Kevin D.; Bonet, John T.

    2016-01-01

    The NASA Environmentally Responsible Aircraft Project (ERA) was a ve year project broken into two phases. In phase II, high N+2 Technical Readiness Level demonstrations were grouped into Integrated Technology Demonstrations (ITD). This paper describes the work done on ITD-51A: the Vehicle Systems Integration, Engine Airframe Integration Demonstration. Refinement of a Hybrid Wing Body (HWB) aircraft from the possible candidates developed in ERA Phase I was continued. Scaled powered, and unpowered wind- tunnel testing, with and without acoustics, in the NASA LARC 14- by 22-foot Subsonic Tunnel, the NASA ARC Unitary Plan Wind Tunnel, and the 40- by 80-foot test section of the National Full-Scale Aerodynamics Complex (NFAC) in conjunction with very closely coupled Computational Fluid Dynamics was used to demonstrate the fuel burn and acoustic milestone targets of the ERA Project.

  6. The hybrid photonic planar integrated receiver with a polymer optical waveguide

    NASA Astrophysics Data System (ADS)

    Busek, Karel; Jerábek, Vitezslav; Armas Arciniega, Julio; Prajzler, Václav

    2008-11-01

    This article describes design of the photonic receiver composed of the system polymer planar waveguides, InGaAs p-i-n photodiode and integrated HBT amplifier on a low loss composite substrate. The photonic receiver was the main part of the hybrid integrated microwave optoelectronic transceiver TRx (transciever TRx) for the optical networks PON (passive optical networks) with FTTH (fiber-to-the-home) topology. In this article are presented the research results of threedimensional field between output facet of a optical waveguide and p-i-n photodiode. In terms of our research, there was optimized the optical coupling among the facet waveguide and pi-n photodiode and the electrical coupling among p-i-n photodiode and input of HBT amplifier. The hybrid planar lightwave circuit (PLC) of the transceiver TRx will be composed from a two parts - polymer optical waveguide including VHGT filter section and a optoelectronic microwave section.

  7. Hybrid photonic integrated circuits for faster and greener optical communication networks

    NASA Astrophysics Data System (ADS)

    Stampoulidis, L.; Kehayas, E.; Zimmermann, L.

    2011-01-01

    We present current development efforts on hybrid photonic integration for new generation "faster and greener" Tb/scapacity optical networks. On the physical layer, we present the development of a versatile, silicon-based photonic integration platform that acts as a technology "blender" bringing together different material systems including III-V and silicon-based semiconductors. The platform is also used to implement the so-called O-to-O (optical-to-optical) functionalities by patterning low-loss passive components such as MMI couplers and delay interferometers. With these passive building blocks as well as the ability for hybrid assembly of active material, we demonstrate the fabrication of key optical transport and routing devices such as optical demodulators and all-optical wavelength converters. These devices can now be used to fabricate chip-scale 100 GbE transceiver PICs and Tb/s-capacity wavelength switching platforms.

  8. Field-hardened optical waveguide hybrid integrated-circuit multisensor chemical probe and its chemistry

    NASA Astrophysics Data System (ADS)

    Pollina, Richard J.; Himka, Roger L.; Saini, Devinder P.; McGibbon, Alan; Klainer, Stanley M.

    1997-05-01

    A single probe containing three hybrid integrated-circuit, optical waveguide, chemical-biochemical sensors (chip sensors) has been developed. Each chip sensor contains two hybrid waveguides -- one for sensing and one for reference. The sense waveguide is coated with a species-specific or group-specific chemistry or biochemistry. The reference waveguide is coated with a version of the sense chemistry or biochemistry, which is not sensitive to the analyte. The integrated structure is encapsulated and contains a single fixed light source, two detectors (reference and sense), and an optical train. The design is amenable to fluorescence, absorption, and refraction measurements. The three chip sensors are individually mounted in a probe that contains all of the electronics and computing capability necessary to collect and process the output information from each chip sensor. Only the surface of the individual chips are exposed to the target analytes. The probe is rugged, intrinsically safe, and can operate under 75 m (250 ft) of water.

  9. A hybrid decomposition method for integrating coal supply and demand models

    SciTech Connect

    Shapiro, J.F.; White, D.E.

    1982-09-01

    A number of large scale models have been proposed and implemented in recent years to study the anticipated expansion of coal production and utilization in the United States. This paper reports on the application of mathematical programming decomposition methods to the constructive integration and optimization of these models. In particular, it was found that an implemented hybrid decomposition approach, part resource directed and part price directed, exhibited fast convergence to an optimal solution. (23 refs.)

  10. Integration of Hybrid and Single Ventricle Rehabilitation Techniques to Treat a Neonate After Iatrogenic Mitral Injury.

    PubMed

    Ashfaq, Awais; Seckeler, Michael; Pophal, Stephen; Rhee, Edward; Ryan, Justin; Rao, Rohit; Klewer, Scott; Nigro, John J

    2016-07-01

    Neonatal critical aortic stenosis is life threatening and requires intervention shortly after birth. Early percutaneous aortic valvuloplasty is generally considered to be an effective way to obtain reliable prograde flow. We describe the integrated use of hybrid, open surgical, and single ventricle rehabilitation techniques to successfully treat a neonate with borderline left-sided cardiac structures, who sustained a complication from balloon aortic valvuloplasty. PMID:26865067

  11. Hybrid integrated photodetector with flat-top steep-edge spectral response.

    PubMed

    Fan, Xinye; Huang, Yongqing; Ren, Xiaomin; Duan, Xiaofeng; Hu, Fuquan; Wang, Qi; Cai, Shiwei; Zhang, Xia

    2012-08-20

    Hybrid integrated photodetectors with flat-top steep-edge spectral responses that consist of an Si-based multicavity Fabry-Perot (F-P) filter and an InP-based p-i-n absorption structure (with a 0.2 μm In(0.53)Ga(0.47)As absorption layer), have been designed and fabricated. The performance of the hybrid integrated photodetectors is theoretically investigated by including key factors such as the thickness of each cavity, the pairs of each reflecting mirror, and the thickness of the benzocyclobutene bonding layer. The device is fabricated by bonding an Si-based multicavity F-P filter with an InP-based p-i-n absorption structure. A hybrid integrated photodetector with a peak quantum efficiency of 55% around 1549.2 nm, the -0.5 dB band of 0.43 nm, the 25 dB band of 1.06 nm, and 3 dB bandwidth more than 16 GHz, is simultaneously obtained. Based on multicavity F-P structure, this device has good flat-top steep-edge spectral response. PMID:22907001

  12. Effects of relative positioning of energy sources on weld integrity for hybrid laser arc welding

    NASA Astrophysics Data System (ADS)

    Liu, Shuangyu; Li, Yanqing; Liu, Fengde; Zhang, Hong; Ding, Hongtao

    2016-06-01

    This study is concerned with the effects of laser and arc arrangement on weld integrity for the hybrid laser arc welding processes. Experiments were conducted for a high-strength steel using a 4 kW Nd: YAG laser and a metal active gas (MAG) welding facility under two configurations of arc-laser hybrid welding (ALHW) and laser-arc hybrid welding (LAHW). Metallographic analysis and mechanical testing were performed to evaluate the weld integrity in terms of weld bead geometry, microstructure and mechanical properties. The morphology of the weld bead cross-section was studied and the typical macrostructure of the weld beads appeared to be cone-shaped and cocktail cup-shaped under ALHW and LAHW configurations, respectively. The weld integrity attributes of microstructure, phase constituents and microhardness were analyzed for different weld regions. The tensile and impact tests were performed and fracture surface morphology was analyzed by scanning electron microscope. The study showed that ALHW produced joints with a better weld shape and a more uniform microstructure of lath martensite, while LAHW weld had a heterogeneous structure of lath martensite and austenite.

  13. Broadband silicon optical modulator using a graphene-integrated hybrid plasmonic waveguide.

    PubMed

    Shin, Jin-Soo; Kim, Jin Tae

    2015-09-11

    Graphene is an excellent electronic and photonic material for developing electronic-photonic integrated circuits in Si-based semiconductor devices with ultra wide operational bandwidth. As an extended application, here we propose a broadband silicon optical modulator using a graphene-integrated hybrid plasmonic waveguide, and investigate the optical characteristics numerically at a wavelength of 1.55 μm. The optical device is based on the surface plasmon polariton absorption of graphene. By electrically tuning the graphene's refractive index as low as that of a noble metal, the hybrid plasmonic waveguide supports a strongly confined highly lossy hybrid long-range surface plasmon polariton strip mode, and hence light coupled from an input waveguide experiences significant power attenuation as it propagates along the waveguide. Over the entire C-band from 1.530 to 1.565 μm wavelengths, the on/off extinction ratio is larger than 13.7 dB. This modulator has the potential to play a key role in realizing graphene-Si waveguide-based integrated photonic devices. PMID:26293975

  14. Monte Carlo simulation of simultaneous radiation detection in the hybrid tomography system ClearPET-XPAD3/CT

    NASA Astrophysics Data System (ADS)

    Dávila, H. Olaya; Sevilla, A. C.; Castro, H. F.; Martínez, S. A.

    2016-07-01

    Using the Geant4 based simulation framework SciFW1, a detailed simulation was performed for a detector array in the hybrid tomography prototype for small animals called ClearPET / XPAD, which was built in the Centre de Physique des Particules de Marseille. The detector system consists of an array of phoswich scintillation detectors: LSO (Lutetium Oxy-ortosilicate doped with cerium Lu2SiO5:Ce) and LuYAP (Lutetium Ortoaluminate of Yttrium doped with cerium Lu0.7Y0.3AlO3:Ce) for Positron Emission Tomography (PET) and hybrid pixel detector XPAD for Computed Tomography (CT). Simultaneous acquisition of deposited energy and the corresponding time - position for each recorded event were analyzed, independently, for both detectors. interference between detection modules for PET and CT. Information about amount of radiation reaching each phoswich crystal and XPAD detector using a phantom in order to study the effectiveness by radiation attenuation and influence the positioning of the radioactive source 22Na was obtained. The simulation proposed will improve distribution of detectors rings and interference values will be taken into account in the new versions of detectors.

  15. Monolithically integrated 20-channel optical add/drop multiplexer subsystem with hybrid-integrated 40-channel photodetector array

    NASA Astrophysics Data System (ADS)

    Schumacher, Andreas B.; Krabe, Detlef; Dieckroeger, Jens; Spott, Thorsten; Kraeker, Tobias; Martins, Evely; Zavrsnik, Miha; Schneider, Hartmut W.; Baumann, Ingo

    2003-03-01

    We built a 20 channel, 200 GHz, fully reconfigurable optical add-/drop multiplexer with integrated variable optical attenuators and power monitor diodes. A single planar lightwave circuit chip contains demultiplexer, switch array, attenuators and multiplexers. It also serves as an "optical motherboard" for a hybrid, flip-chip assembly containing four 10-channel photo detector arrays. A thermal management concept which considers both microscopic and macroscopic aspects of the device was developed. The final device exhibits an insertion loss of 9 dB from "in"- to "through"-port, a 1 dB bandwidth of >50 GHz and switch extinction ratios in excess of 40 dB.

  16. Permutation blocking path integral Monte Carlo: a highly efficient approach to the simulation of strongly degenerate non-ideal fermions

    NASA Astrophysics Data System (ADS)

    Dornheim, Tobias; Groth, Simon; Filinov, Alexey; Bonitz, Michael

    2015-07-01

    Correlated fermions are of high interest in condensed matter (Fermi liquids, Wigner molecules), cold atomic gases and dense plasmas. Here we propose a novel approach to path integral Monte Carlo (PIMC) simulations of strongly degenerate non-ideal fermions at finite temperature by combining a fourth-order factorization of the density matrix with antisymmetric propagators, i.e., determinants, between all imaginary time slices. To efficiently run through the modified configuration space, we introduce a modification of the widely used continuous space worm algorithm, which allows for an efficient sampling at arbitrary system parameters. We demonstrate how the application of determinants achieves an effective blocking of permutations with opposite signs, leading to a significant relieve of the fermion sign problem. To benchmark the capability of our method regarding the simulation of degenerate fermions, we consider multiple electrons in a quantum dot and compare our results with other ab initio techniques, where they are available. The present permutation blocking PIMC approach allows us to obtain accurate results even for N = 20 electrons at low temperature and arbitrary coupling, where no other ab initio results have been reported, so far.

  17. Monte Carlo Simulations of Luminescent Solar Concentrators with Front-Facing Photovoltaic Cells for Building Integrated Photovoltaics

    NASA Astrophysics Data System (ADS)

    Leow, Shin; Corrado, Carley; Osborn, Melissa; Carter, Sue

    2013-03-01

    Luminescent solar concentrators (LSCs) have the ability to receive light from a wide range of angles and concentrate the captured light on to small photo active areas. This enables LSCs to be integrated more extensively into buildings as windows and wall claddings on top of roof installations. LSCs with front facing PV cells collect both direct and concentrated light ensuring a gain factor greater than one. It also allows for flexibility in determining the placement and percentage coverage of PV cells when designing panels to balance reabsorption losses, power output and the level of concentration desired. A Monte-Carlo ray tracing program was developed to study the transport of photons and loss mechanisms in LSC panels and aid in design optimization. The program imports measured absorption/emission spectra and transmission coefficients as simulation parameters. Interactions of photons with the LSC panel are determined by comparing calculated probabilities with random number generators. Simulation results reveal optimal panel dimensions and PV cell layouts to achieve maximum power output.

  18. Characterization and Monte Carlo simulation of single ion Geiger mode avalanche diodes integrated with a quantum dot nanostructure

    NASA Astrophysics Data System (ADS)

    Sharma, Peter; Abraham, J. B. S.; Ten Eyck, G.; Childs, K. D.; Bielejec, E.; Carroll, M. S.

    Detection of single ion implantation within a nanostructure is necessary for the high yield fabrication of implanted donor-based quantum computing architectures. Single ion Geiger mode avalanche (SIGMA) diodes with a laterally integrated nanostructure capable of forming a quantum dot were fabricated and characterized using photon pulses. The detection efficiency of this design was measured as a function of wavelength, lateral position, and for varying delay times between the photon pulse and the overbias detection window. Monte Carlo simulations based only on the random diffusion of photo-generated carriers and the geometrical placement of the avalanche region agrees qualitatively with device characterization. Based on these results, SIGMA detection efficiency appears to be determined solely by the diffusion of photo-generated electron-hole pairs into a buried avalanche region. Device performance is then highly dependent on the uniformity of the underlying silicon substrate and the proximity of photo-generated carriers to the silicon-silicon dioxide interface, which are the most important limiting factors for reaching the single ion detection limit with SIGMA detectors. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000.

  19. Structural Heterogeneity and Quantitative FRET Efficiency Distributions of Polyprolines through a Hybrid Atomistic Simulation and Monte Carlo Approach

    PubMed Central

    Hoefling, Martin; Lima, Nicola; Haenni, Dominik; Seidel, Claus A. M.; Schuler, Benjamin; Grubmüller, Helmut

    2011-01-01

    Förster Resonance Energy Transfer (FRET) experiments probe molecular distances via distance dependent energy transfer from an excited donor dye to an acceptor dye. Single molecule experiments not only probe average distances, but also distance distributions or even fluctuations, and thus provide a powerful tool to study biomolecular structure and dynamics. However, the measured energy transfer efficiency depends not only on the distance between the dyes, but also on their mutual orientation, which is typically inaccessible to experiments. Thus, assumptions on the orientation distributions and averages are usually made, limiting the accuracy of the distance distributions extracted from FRET experiments. Here, we demonstrate that by combining single molecule FRET experiments with the mutual dye orientation statistics obtained from Molecular Dynamics (MD) simulations, improved estimates of distances and distributions are obtained. From the simulated time-dependent mutual orientations, FRET efficiencies are calculated and the full statistics of individual photon absorption, energy transfer, and photon emission events is obtained from subsequent Monte Carlo (MC) simulations of the FRET kinetics. All recorded emission events are collected to bursts from which efficiency distributions are calculated in close resemblance to the actual FRET experiment, taking shot noise fully into account. Using polyproline chains with attached Alexa 488 and Alexa 594 dyes as a test system, we demonstrate the feasibility of this approach by direct comparison to experimental data. We identified cis-isomers and different static local environments as sources of the experimentally observed heterogeneity. Reconstructions of distance distributions from experimental data at different levels of theory demonstrate how the respective underlying assumptions and approximations affect the obtained accuracy. Our results show that dye fluctuations obtained from MD simulations, combined with MC single

  20. lordif: An R Package for Detecting Differential Item Functioning Using Iterative Hybrid Ordinal Logistic Regression/Item Response Theory and Monte Carlo Simulations.

    PubMed

    Choi, Seung W; Gibbons, Laura E; Crane, Paul K

    2011-03-01

    Logistic regression provides a flexible framework for detecting various types of differential item functioning (DIF). Previous efforts extended the framework by using item response theory (IRT) based trait scores, and by employing an iterative process using group-specific item parameters to account for DIF in the trait scores, analogous to purification approaches used in other DIF detection frameworks. The current investigation advances the technique by developing a computational platform integrating both statistical and IRT procedures into a single program. Furthermore, a Monte Carlo simulation approach was incorporated to derive empirical criteria for various DIF statistics and effect size measures. For purposes of illustration, the procedure was applied to data from a questionnaire of anxiety symptoms for detecting DIF associated with age from the Patient-Reported Outcomes Measurement Information System. PMID:21572908

  1. Optimal integration strategies for a syngas fuelled SOFC and gas turbine hybrid

    NASA Astrophysics Data System (ADS)

    Zhao, Yingru; Sadhukhan, Jhuma; Lanzini, Andrea; Brandon, Nigel; Shah, Nilay

    This article aims to develop a thermodynamic modelling and optimization framework for a thorough understanding of the optimal integration of fuel cell, gas turbine and other components in an ambient pressure SOFC-GT hybrid power plant. This method is based on the coupling of a syngas-fed SOFC model and an associated irreversible GT model, with an optimization algorithm developed using MATLAB to efficiently explore the range of possible operating conditions. Energy and entropy balance analysis has been carried out for the entire system to observe the irreversibility distribution within the plant and the contribution of different components. Based on the methodology developed, a comprehensive parametric analysis has been performed to explore the optimum system behavior, and predict the sensitivity of system performance to the variations in major design and operating parameters. The current density, operating temperature, fuel utilization and temperature gradient of the fuel cell, as well as the isentropic efficiencies and temperature ratio of the gas turbine cycle, together with three parameters related to the heat transfer between subsystems are all set to be controllable variables. Other factors affecting the hybrid efficiency have been further simulated and analysed. The model developed is able to predict the performance characteristics of a wide range of hybrid systems potentially sizing from 2000 to 2500 W m -2 with efficiencies varying between 50% and 60%. The analysis enables us to identify the system design tradeoffs, and therefore to determine better integration strategies for advanced SOFC-GT systems.

  2. SU-E-CAMPUS-I-02: Estimation of the Dosimetric Error Caused by the Voxelization of Hybrid Computational Phantoms Using Triangle Mesh-Based Monte Carlo Transport

    SciTech Connect

    Lee, C; Badal, A

    2014-06-15

    Purpose: Computational voxel phantom provides realistic anatomy but the voxel structure may result in dosimetric error compared to real anatomy composed of perfect surface. We analyzed the dosimetric error caused from the voxel structure in hybrid computational phantoms by comparing the voxel-based doses at different resolutions with triangle mesh-based doses. Methods: We incorporated the existing adult male UF/NCI hybrid phantom in mesh format into a Monte Carlo transport code, penMesh that supports triangle meshes. We calculated energy deposition to selected organs of interest for parallel photon beams with three mono energies (0.1, 1, and 10 MeV) in antero-posterior geometry. We also calculated organ energy deposition using three voxel phantoms with different voxel resolutions (1, 5, and 10 mm) using MCNPX2.7. Results: Comparison of organ energy deposition between the two methods showed that agreement overall improved for higher voxel resolution, but for many organs the differences were small. Difference in the energy deposition for 1 MeV, for example, decreased from 11.5% to 1.7% in muscle but only from 0.6% to 0.3% in liver as voxel resolution increased from 10 mm to 1 mm. The differences were smaller at higher energies. The number of photon histories processed per second in voxels were 6.4×10{sup 4}, 3.3×10{sup 4}, and 1.3×10{sup 4}, for 10, 5, and 1 mm resolutions at 10 MeV, respectively, while meshes ran at 4.0×10{sup 4} histories/sec. Conclusion: The combination of hybrid mesh phantom and penMesh was proved to be accurate and of similar speed compared to the voxel phantom and MCNPX. The lowest voxel resolution caused a maximum dosimetric error of 12.6% at 0.1 MeV and 6.8% at 10 MeV but the error was insignificant in some organs. We will apply the tool to calculate dose to very thin layer tissues (e.g., radiosensitive layer in gastro intestines) which cannot be modeled by voxel phantoms.

  3. Performance analysis of an OTEC plant and a desalination plant using an integrated hybrid cycle

    SciTech Connect

    Uehara, Haruo; Miyara, Akio; Ikegami, Yasuyuki; Nakaoka, Tsutomu

    1996-05-01

    A performance analysis of an OTEC plant using an integrated hybrid cycle (I-H OTEC Cycle) has been conducted. The I-H OTEC cycle is a combination of a closed-cycle OTEC plant and a spray flash desalination plant. In an I-H OTEC cycle, warm sea water evaporates the liquid ammonia in the OTEC evaporator, then enters the flash chamber and evaporates itself. The evaporated steam enters the desalination condenser and is condensed by the cold sea water passed through the OTEC condenser. The optimization of the I-H OTEC cycle is analyzed by the method of steepest descent. The total heat transfer area of heat exchangers per net power is used as an objective function. Numerical results are reported for a 10 MW I-H OTEC cycle with plate-type heat exchangers and ammonia as working fluid. The results are compared with those of a joint hybrid OTEC cycle (J-H OTEC Cycle).

  4. A hybrid method for solving time-domain integral equations in transient scattering

    NASA Astrophysics Data System (ADS)

    Tijhuis, A. G.; Wiemans, R.; Kuester, E. F.

    A new hybrid method is proposed for the numerical solution of integral equations describing transient scattering problems. The basic idea behind the method is to first discretize in space, and then solve the resulting system of linear time-domain equations by carrying out a temporal Laplace transformation. This approach combines the efficiency of the marching-on-in-time method with the stability and the accuracy of frequency-domain techniques. Numerical results are presented for the scattering of E-polarized, pulsed waves by a one-dimensionally inhomogeneous, lossy dielectric slab located in between two homogeneous, lossless dielectric half-spaces, and by a radially inhomogeneous, lossy dielectric circular cylinder embedded in vacuum. For these problems, the hybrid method turns out to be more powerful than existing solution techniques.

  5. Using a hybrid Monte Carlo/Genetic Algorithm Slip Estimator to produce high resolution models of paleoearthquakes from geodetic data

    NASA Astrophysics Data System (ADS)

    Lindsay, A.; McCloskey, J.; Nalbant, S. S.; Simao, N.; Murphy, S.; NicBhloscaidh, M.; Steacy, S.

    2013-12-01

    Identifying fault sections where slip deficits have accumulated may provide a means for understanding sequences of large megathrust earthquakes. Stress accumulated during the interseismic period on locked sections of an active fault is stored as potential slip. Where this potential slip remains unreleased during earthquakes, a slip deficit can be said to have accrued. Analysis of the spatial distribution of slip during antecedent events along the fault will show where the locked plate has spent its stored slip and indicate where the potential for large events remains. The location of recent earthquakes and their distribution of slip can be estimated instrumentally. To develop the idea of long-term slip-deficit modelling it is necessary to constrain the size and distribution of slip for pre-instrumental events dating back hundreds of years covering more than one ';seismic cycle'. This requires the exploitation of proxy sources of data. Coral microatolls, growing in the intertidal zone of the outer island arc of the Sunda trench, present the possibility of producing high resolution reconstructions of slip for a number of pre-instrumental earthquakes. Their growth is influenced by tectonic flexing of the continental plate beneath them allows them to act as long term geodetic recorders. However, the sparse distribution of data available using coral geodesy results in a under determined problem with non-unique solutions. Instead of producing one definite model satisfying the observed corals displacements, a Monte Carlo Slip Estimator based on a Genetic Algorithm (MCSE-GA) accelerating the rate of convergence is used to identify a suite of models consistent with the data. Successive iterations of the MCSE-GA sample different displacements at each coral location, from within the spread of associated uncertainties, producing a catalog of models from the full range of possibilities. The suite of best slip distributions are weighted according to their fitness and stacked to

  6. Validation of columnar CsI x-ray detector responses obtained with hybridMANTIS, a CPU-GPU Monte Carlo code for coupled x-ray, electron, and optical transport

    SciTech Connect

    Sharma, Diksha; Badano, Aldo

    2013-03-15

    Purpose: hybridMANTIS is a Monte Carlo package for modeling indirect x-ray imagers using columnar geometry based on a hybrid concept that maximizes the utilization of available CPU and graphics processing unit processors in a workstation. Methods: The authors compare hybridMANTIS x-ray response simulations to previously published MANTIS and experimental data for four cesium iodide scintillator screens. These screens have a variety of reflective and absorptive surfaces with different thicknesses. The authors analyze hybridMANTIS results in terms of modulation transfer function and calculate the root mean square difference and Swank factors from simulated and experimental results. Results: The comparison suggests that hybridMANTIS better matches the experimental data as compared to MANTIS, especially at high spatial frequencies and for the thicker screens. hybridMANTIS simulations are much faster than MANTIS with speed-ups up to 5260. Conclusions: hybridMANTIS is a useful tool for improved description and optimization of image acquisition stages in medical imaging systems and for modeling the forward problem in iterative reconstruction algorithms.

  7. A Massively Parallel Hybrid Dusty-Gasdynamics and Kinetic Direct Simulation Monte Carlo Model for Planetary Applications

    NASA Technical Reports Server (NTRS)

    Combi, Michael R.

    2004-01-01

    In order to understand the global structure, dynamics, and physical and chemical processes occurring in the upper atmospheres, exospheres, and ionospheres of the Earth, the other planets, comets and planetary satellites and their interactions with their outer particles and fields environs, it is often necessary to address the fundamentally non-equilibrium aspects of the physical environment. These are regions where complex chemistry, energetics, and electromagnetic field influences are important. Traditional approaches are based largely on hydrodynamic or magnetohydrodynamic (MHD) formulations and are very important and highly useful. However, these methods often have limitations in rarefied physical regimes where the molecular collision rates and ion gyrofrequencies are small and where interactions with ionospheres and upper neutral atmospheres are important. At the University of Michigan we have an established base of experience and expertise in numerical simulations based on particle codes which address these physical regimes. The Principal Investigator, Dr. Michael Combi, has over 20 years of experience in the development of particle-kinetic and hybrid kinetichydrodynamics models and their direct use in data analysis. He has also worked in ground-based and space-based remote observational work and on spacecraft instrument teams. His research has involved studies of cometary atmospheres and ionospheres and their interaction with the solar wind, the neutral gas clouds escaping from Jupiter s moon Io, the interaction of the atmospheres/ionospheres of Io and Europa with Jupiter s corotating magnetosphere, as well as Earth s ionosphere. This report describes our progress during the year. The contained in section 2 of this report will serve as the basis of a paper describing the method and its application to the cometary coma that will be continued under a research and analysis grant that supports various applications of theoretical comet models to understanding the

  8. Sole means navigation and integrity through hybrid Loran-C and NAVSTAR GPS

    NASA Technical Reports Server (NTRS)

    Vangraas, Frank

    1990-01-01

    A sole means navigation system does not only call for integrity, but also for coverage, reliability, availability and accuracy. Even though ground monitored GPS will provide integrity, availability is still not sufficient. One satellite outage can affect a large service area for several hours per day. The same holds for differential GPS; a total satellite outage cannot be corrected for. To obtain sufficient coverage, extra measurements are needed, either in the form of extra GPS satellites (expensive) or through redundant measurements from other systems. LORAN-C is available and will, hybridized with GPS, result in a system that has the potential to satisfy the requirements for a sole means navigation system for use in the continental United States. Assumptions are made about the qualification sole means, mainly based on current sole means systems such as VOR/DME. In order to allow for system design that will satisfy sole means requirements, it is recommended that a definition of a sole means navigation system be established. This definition must include requirements for availability, reliability, and integrity currently not specified. In addition to the definition of a sole means navigation system, certification requirements must be established for hybrid navigation systems. This will allow for design and production of a new generation of airborne navigation systems that will reduce overall system costs and simplify training procedures.

  9. Integrated hybrid polystyrene-polydimethylsiloxane device for monitoring cellular release with microchip electrophoresis and electrochemical detection

    PubMed Central

    Johnson, Alicia S.; Mehl, Benjamin T.; Martin, R. Scott

    2015-01-01

    In this work, a polystyrene (PS)-polydimethylsiloxane (PDMS) hybrid device was developed to enable the integration of cell culture with analysis by microchip electrophoresis and electrochemical detection. It is shown that this approach combines the fundamental advantages of PDMS devices (the ability to integrate pumps and valves) and PS devices (the ability to permanently embed fluidic tubing and electrodes). The embedded fused-silica capillary enables high temporal resolution measurements from off-chip cell culture dishes and the embedded electrodes provide close to real-time analysis of small molecule neurotransmitters. A novel surface treatment for improved (reversible) adhesion between PS and PDMS is described using a chlorotrimethylsilane stamping method. It is demonstrated that a Pd decoupler is efficient at handling the high current (and cathodic hydrogen production) resulting from use of high ionic strength buffers needed for cellular analysis; thus allowing an electrophoretic separation and in-channel detection. The separation of norepinephrine (NE) and dopamine (DA) in highly conductive biological buffers was optimized using a mixed surfactant system. This PS-PDMS hybrid device integrates multiple processes including continuous sampling from a cell culture dish, on-chip pump and valving technologies, microchip electrophoresis, and electrochemical detection to monitor neurotransmitter release from PC 12 cells. PMID:25663849

  10. Integration of multisensor hybrid reasoners to support personal autonomy in the smart home.

    PubMed

    Valero, Miguel Ángel; Bravo, José; Chamizo, Juan Manuel García; López-de-Ipiña, Diego

    2014-01-01

    The deployment of the Ambient Intelligence (AmI) paradigm requires designing and integrating user-centered smart environments to assist people in their daily life activities. This research paper details an integration and validation of multiple heterogeneous sensors with hybrid reasoners that support decision making in order to monitor personal and environmental data at a smart home in a private way. The results innovate on knowledge-based platforms, distributed sensors, connected objects, accessibility and authentication methods to promote independent living for elderly people. TALISMAN+, the AmI framework deployed, integrates four subsystems in the smart home: (i) a mobile biomedical telemonitoring platform to provide elderly patients with continuous disease management; (ii) an integration middleware that allows context capture from heterogeneous sensors to program environment's reaction; (iii) a vision system for intelligent monitoring of daily activities in the home; and (iv) an ontologies-based integrated reasoning platform to trigger local actions and manage private information in the smart home. The framework was integrated in two real running environments, the UPM Accessible Digital Home and MetalTIC house, and successfully validated by five experts in home care, elderly people and personal autonomy. PMID:25232910

  11. Integration of Multisensor Hybrid Reasoners to Support Personal Autonomy in the Smart Home

    PubMed Central

    Valero, Miguel Ángel; Bravo, José; Chamizo, Juan Manuel García; López-de-Ipiña, Diego

    2014-01-01

    The deployment of the Ambient Intelligence (AmI) paradigm requires designing and integrating user-centered smart environments to assist people in their daily life activities. This research paper details an integration and validation of multiple heterogeneous sensors with hybrid reasoners that support decision making in order to monitor personal and environmental data at a smart home in a private way. The results innovate on knowledge-based platforms, distributed sensors, connected objects, accessibility and authentication methods to promote independent living for elderly people. TALISMAN+, the AmI framework deployed, integrates four subsystems in the smart home: (i) a mobile biomedical telemonitoring platform to provide elderly patients with continuous disease management; (ii) an integration middleware that allows context capture from heterogeneous sensors to program environment's reaction; (iii) a vision system for intelligent monitoring of daily activities in the home; and (iv) an ontologies-based integrated reasoning platform to trigger local actions and manage private information in the smart home. The framework was integrated in two real running environments, the UPM Accessible Digital Home and MetalTIC house, and successfully validated by five experts in home care, elderly people and personal autonomy. PMID:25232910

  12. Path Integral Monte Carlo Simulations of Solid Molecular Hydrogen Surfaces and Thin HELIUM-4 Films on Molecular Hydrogen Substrates

    NASA Astrophysics Data System (ADS)

    Wagner, Marcus

    Based on Richard P. Feynman's formulation of quantum mechanics, Path Integral Monte Carlo is a computational ab-initio method to calculate finite temperature equilibrium properties of quantum many-body systems. As input, only fundamental physical constants and pair-potentials are required. We carry out the first ab-initio particle simulations of three related physical systems. First, the bare H _2 substrate is simulated between 0.5 and 1.3K, because a liquid H_2 film is a candidate for a new superfluid. We find evidence of quantum exchange in surface terraces for up to 1K. Second, the melting of the H_2 surface between 3 and 15K is examined since this is the cleanest example of quantum surface melting. Third, atomically thin superfluid ^4He films on H_2 surfaces are simulated, calculating binding energies per ^4He atom and third sound, an important experimental probe for superfuid ^4 He films. For all systems we compute density profiles perpendicular and parallel to the surface and compare to experiment. We treat both H_2 molecules and ^4He atoms on the same footing, as spherical particles. For simulations of bulk/vapor interfaces and surface adsorption, a realistic representation of the macroscopic surface is crucial. Therefore, we introduce an external potential to account for arbitrarily layered substrates and long-range corrections. Two algorithms for parallel computers with independent processors are introduced, one to manage concurrent simulations of entire phase-diagrams, and one to improve input/output speed for files shared by all processors.

  13. Estimation of optical properties of neuroendocrine pancreas tumor with double-integrating-sphere system and inverse Monte Carlo model.

    PubMed

    Saccomandi, Paola; Larocca, Enza Stefania; Rendina, Veneranda; Schena, Emiliano; D'Ambrosio, Roberto; Crescenzi, Anna; Di Matteo, Francesco Maria; Silvestri, Sergio

    2016-08-01

    The investigation of laser-tissue interaction is crucial for diagnostics and therapeutics. In particular, the estimation of tissue optical properties allows developing predictive models for defining organ-specific treatment planning tool. With regard to laser ablation (LA), optical properties are among the main responsible for the therapy efficacy, as they globally affect the heating process of the tissue, due to its capability to absorb and scatter laser energy. The recent introduction of LA for pancreatic tumor treatment in clinical studies has fostered the need to assess the laser-pancreas interaction and hence to find its optical properties in the wavelength of interest. This work aims at estimating optical properties (i.e., absorption, μ a , scattering, μ s , anisotropy, g, coefficients) of neuroendocrine pancreas tumor at 1064 nm. Experiments were performed using two popular sample storage methods; the optical properties of frozen and paraffin-embedded neuroendocrine tumor of the pancreas are estimated by employing a double-integrating-sphere system and inverse Monte Carlo algorithm. Results show that paraffin-embedded tissue is characterized by absorption and scattering coefficients significantly higher than frozen samples (μ a of 56 cm(-1) vs 0.9 cm(-1), μ s of 539 cm(-1) vs 130 cm(-1), respectively). Simulations show that such different optical features strongly influence the pancreas temperature distribution during LA. This result may affect the prediction of therapeutic outcome. Therefore, the choice of the appropriate preparation technique of samples for optical property estimation is crucial for the performances of the mathematical models which predict LA thermal outcome on the tissue and lead the selection of optimal LA settings. PMID:27147075

  14. Path integral Monte Carlo simulations of H2 adsorbed to lithium-doped benzene: A model for hydrogen storage materials.

    PubMed

    Lindoy, Lachlan P; Kolmann, Stephen J; D'Arcy, Jordan H; Crittenden, Deborah L; Jordan, Meredith J T

    2015-11-21

    Finite temperature quantum and anharmonic effects are studied in H2-Li(+)-benzene, a model hydrogen storage material, using path integral Monte Carlo (PIMC) simulations on an interpolated potential energy surface refined over the eight intermolecular degrees of freedom based upon M05-2X/6-311+G(2df,p) density functional theory calculations. Rigid-body PIMC simulations are performed at temperatures ranging from 77 K to 150 K, producing both quantum and classical probability density histograms describing the adsorbed H2. Quantum effects broaden the histograms with respect to their classical analogues and increase the expectation values of the radial and angular polar coordinates describing the location of the center-of-mass of the H2 molecule. The rigid-body PIMC simulations also provide estimates of the change in internal energy, ΔUads, and enthalpy, ΔHads, for H2 adsorption onto Li(+)-benzene, as a function of temperature. These estimates indicate that quantum effects are important even at room temperature and classical results should be interpreted with caution. Our results also show that anharmonicity is more important in the calculation of U and H than coupling-coupling between the intermolecular degrees of freedom becomes less important as temperature increases whereas anharmonicity becomes more important. The most anharmonic motions in H2-Li(+)-benzene are the "helicopter" and "ferris wheel" H2 rotations. Treating these motions as one-dimensional free and hindered rotors, respectively, provides simple corrections to standard harmonic oscillator, rigid rotor thermochemical expressions for internal energy and enthalpy that encapsulate the majority of the anharmonicity. At 150 K, our best rigid-body PIMC estimates for ΔUads and ΔHads are -13.3 ± 0.1 and -14.5 ± 0.1 kJ mol(-1), respectively. PMID:26590532

  15. Progress of Integral Experiments in Benchmark Fission Assemblies for a Blanket of Hybrid Reactor

    NASA Astrophysics Data System (ADS)

    Liu, R.; Zhu, T. H.; Yan, X. S.; Lu, X. X.; Jiang, L.; Wang, M.; Han, Z. J.; Wen, Z. W.; Lin, J. F.; Yang, Y. W.

    2014-04-01

    This article describes recent progress in integral neutronics experiments in benchmark fission assemblies for the blanket design in a hybrid reactor. The spherical assemblies consist of three layers of depleted uranium shells and several layers of polyethylene shells, separately. In the assemblies with centralizing the D-T neutron source, the plutonium production rates, uranium fission rates and leakage neutron spectra are measured. The measured results are compared to the calculated ones with the MCNP-4B code and ENDF/B-VI library data, available.

  16. Organic–Inorganic Eu3+/Tb3+ codoped hybrid films for temperature mapping in integrated circuits

    PubMed Central

    Brites, Carlos D. S.; Lima, Patrícia P.; Silva, Nuno J. O.; Millán, Angel; Amaral, Vitor S.; Palacio, Fernando; Carlos, Luís D.

    2013-01-01

    The continuous decrease on the geometric size of electronic devices and integrated circuits generates higher local power densities and localized heating problems that cannot be characterized by conventional thermographic techniques. Here, a self-referencing intensity-based molecular thermometer involving a di-ureasil organic-inorganic hybrid thin film co-doped with Eu3+ and Tb3+ tris (β-diketonate) chelates is used to obtain the temperature map of a FR4 printed wiring board with spatio-temporal resolutions of 0.42 μm/4.8 ms. PMID:24790938

  17. Two step hybrid methods of 7th and 8th order for the numerical integration of second order IVPs

    NASA Astrophysics Data System (ADS)

    Kalogiratou, Z.; Monovasilis, Th.; Simos, T. E.

    2016-06-01

    In this work we consider the numerical integration of second order ODEs where the first derivative is missing. We construct two step hybrid methods with six and seven stages and seventh and eighth algebraic order. We apply the new methods on the numerical integration of several test problems.

  18. Sensing and actuating capabilities of a shape memory polymer composite integrated with hybrid filler

    NASA Astrophysics Data System (ADS)

    Lu, Haibao; Yu, Kai; Liu, Yanju; Leng, Jinsong

    2010-06-01

    In this paper, hybrid fillers, including carbon black (CB) and chopped short carbon fibers (SCF), are integrated into a styrene-based shape memory polymer (SMP) with sensing and actuating capabilities. The hybrid filler is expected to transform insulating SMP into conducting. Static mechanical properties of the SMP composites containing various filler concentrations of hybrid filler reinforcement are studied first, and it is theoretically and experimentally confirmed that the mechanical properties are significantly improved by a factor of filler content of SCF. The excellent electrical properties of this novel type of SMP composite are determined by a four-point-probe method. As a consequence, the sensing properties of SMP composite filled with 5 wt% CB and 2 wt% SCF are characterized by functions of temperature and strain. These two experimental results both aid the use of SMP composites as sensors that respond to changes in temperature or mechanical loads. On the other hand, the actuating capability of SMP composites is also validated and demonstrated. The dynamic mechanical analysis result reveals that the output strength of SMP composites is improved with an increase in filler content of SCF. The actuating capability of SMP composites is subsequently demonstrated in a series of photographs.

  19. A hybrid simulation approach for integrating safety behavior into construction planning: An earthmoving case study.

    PubMed

    Goh, Yang Miang; Askar Ali, Mohamed Jawad

    2016-08-01

    One of the key challenges in improving construction safety and health is the management of safety behavior. From a system point of view, workers work unsafely due to system level issues such as poor safety culture, excessive production pressure, inadequate allocation of resources and time and lack of training. These systemic issues should be eradicated or minimized during planning. However, there is a lack of detailed planning tools to help managers assess the impact of their upstream decisions on worker safety behavior. Even though simulation had been used in construction planning, the review conducted in this study showed that construction safety management research had not been exploiting the potential of simulation techniques. Thus, a hybrid simulation framework is proposed to facilitate integration of safety management considerations into construction activity simulation. The hybrid framework consists of discrete event simulation (DES) as the core, but heterogeneous, interactive and intelligent (able to make decisions) agents replace traditional entities and resources. In addition, some of the cognitive processes and physiological aspects of agents are captured using system dynamics (SD) approach. The combination of DES, agent-based simulation (ABS) and SD allows a more "natural" representation of the complex dynamics in construction activities. The proposed hybrid framework was demonstrated using a hypothetical case study. In addition, due to the lack of application of factorial experiment approach in safety management simulation, the case study demonstrated sensitivity analysis and factorial experiment to guide future research. PMID:26456000

  20. Towards integration of PET/MR hybrid imaging into radiation therapy treatment planning

    SciTech Connect

    Paulus, Daniel H.; Thorwath, Daniela; Schmidt, Holger; Quick, Harald H.

    2014-07-15

    Purpose: Multimodality imaging has become an important adjunct of state-of-the-art radiation therapy (RT) treatment planning. Recently, simultaneous PET/MR hybrid imaging has become clinically available and may also contribute to target volume delineation and biological individualization in RT planning. For integration of PET/MR hybrid imaging into RT treatment planning, compatible dedicated RT devices are required for accurate patient positioning. In this study, prototype RT positioning devices intended for PET/MR hybrid imaging are introduced and tested toward PET/MR compatibility and image quality. Methods: A prototype flat RT table overlay and two radiofrequency (RF) coil holders that each fix one flexible body matrix RF coil for RT head/neck imaging have been evaluated within this study. MR image quality with the RT head setup was compared to the actual PET/MR setup with a dedicated head RF coil. PET photon attenuation and CT-based attenuation correction (AC) of the hardware components has been quantitatively evaluated by phantom scans. Clinical application of the new RT setup in PET/MR imaging was evaluated in anin vivo study. Results: The RT table overlay and RF coil holders are fully PET/MR compatible. MR phantom and volunteer imaging with the RT head setup revealed high image quality, comparable to images acquired with the dedicated PET/MR head RF coil, albeit with 25% reduced SNR. Repositioning accuracy of the RF coil holders was below 1 mm. PET photon attenuation of the RT table overlay was calculated to be 3.8% and 13.8% for the RF coil holders. With CT-based AC of the devices, the underestimation error was reduced to 0.6% and 0.8%, respectively. Comparable results were found within the patient study. Conclusions: The newly designed RT devices for hybrid PET/MR imaging are PET and MR compatible. The mechanically rigid design and the reproducible positioning allow for straightforward CT-based AC. The systematic evaluation within this study provides the

  1. Hybrid extended particle filter (HEPF) for integrated inertial navigation and global positioning systems

    NASA Astrophysics Data System (ADS)

    Aggarwal, Priyanka; Syed, Zainab; El-Sheimy, Naser

    2009-05-01

    Navigation includes the integration of methodologies and systems for estimating time-varying position, velocity and attitude of moving objects. Navigation incorporating the integrated inertial navigation system (INS) and global positioning system (GPS) generally requires extensive evaluations of nonlinear equations involving double integration. Currently, integrated navigation systems are commonly implemented using the extended Kalman filter (EKF). The EKF assumes a linearized process, measurement models and Gaussian noise distributions. These assumptions are unrealistic for highly nonlinear systems like land vehicle navigation and may cause filter divergence. A particle filter (PF) is developed to enhance integrated INS/GPS system performance as it can easily deal with nonlinearity and non-Gaussian noises. In this paper, a hybrid extended particle filter (HEPF) is developed as an alternative to the well-known EKF to achieve better navigation data accuracy for low-cost microelectromechanical system sensors. The results show that the HEPF performs better than the EKF during GPS outages, especially when simulated outages are located in periods with high vehicle dynamics.

  2. Hybrid Processing: the Impact of Mechanical and Surface Thermal Treatment Integration onto the Machine Parts Quality

    NASA Astrophysics Data System (ADS)

    Skeeba, V. Yu; Ivancivsky, V. V.; Kutyshkin, A. V.; Parts, K. A.

    2016-04-01

    The comparative analysis of the two hybrid process technologies, which are based on the integration of mechanical treatment (abrasive grinding or turning) and a surface heat strengthening by high frequency current on the same processing equipment, is given in the paper. The acquired results demonstrate that the suggested integrating approach allows carrying out the processing on the one technological base, which leads to the increase in the quality of the machine parts surface layer. The conducted experimental research proves that a minor stock allowance value for the final mechanical processing (sparking out or diamond smoothing) ensures the absence of defects such as local abatement zones and provides strain hardening of the work piece surface. This leads to the formation of the work-hardened layer of 0.01 - 0.03 mm, increase in microhardness value by 12 - 17% and the level of residual compressive stress in the surface layer by 10 - 21 % respectively.

  3. Hybrid plasmon/dielectric waveguide for integrated silicon-on-insulator optical elements.

    PubMed

    Flammer, P D; Banks, J M; Furtak, T E; Durfee, C G; Hollingsworth, R E; Collins, R T

    2010-09-27

    VLSI compatible optical waveguides on silicon are currently of particular interest in order to integrate optical elements onto silicon chips, and for possible replacements of electrical cross-chip/inter-core interconnects. Here we present simulation and experimental verification of a hybrid plasmon/dielectric, single-mode, single-polarization waveguide for silicon-on-insulator wafers. Its fabrication is compatible with VLSI processing techniques, and it possesses desirable properties such as the absence of birefringence and low sensitivity to surface roughness and metallic losses. The waveguide structure naturally forms an MOS capacitor, possibly useful for active device integration. Simulations predict very long propagation lengths of millimeter scale with micron scale confinement, or sub-micron scale confinement with propagation lengths still in excess of 100 microns. The waveguide may be tuned continuously between these states using standard VLSI processing. Extremely long propagation lengths have been simulated: one configuration presented here has a simulated propagation length of 34 cm. PMID:20940996

  4. Integration Issues of Cells into Battery Packs for Plug-in and Hybrid Electric Vehicles: Preprint

    SciTech Connect

    Pesaran, A. A.; Kim, G. H.; Keyser, M.

    2009-05-01

    The main barriers to increased market share of hybrid electric vehicles (HEVs) and commercialization of plug-in HEVs are the cost, safety, and life of lithium ion batteries. Significant effort is being directed to address these issues for lithium ion cells. However, even the best cells may not perform as well when integrated into packs for vehicles because of the environment in which vehicles operate. This paper discusses mechanical, electrical, and thermal integration issues and vehicle interface issues that could impact the cost, life, and safety of the system. It also compares the advantages and disadvantages of using many small cells versus a few large cells and using prismatic cells versus cylindrical cells.

  5. Integration of plug-in hybrid electric vehicles (PHEV) with grid connected residential photovoltaic energy systems

    NASA Astrophysics Data System (ADS)

    Nagarajan, Adarsh; Shireen, Wajiha

    2013-06-01

    This paper proposes an approach for integrating Plug-In Hybrid Electric Vehicles (PHEV) to an existing residential photovoltaic system, to control and optimize the power consumption of residential load. Control involves determining the source from which residential load will be catered, where as optimization of power flow reduces the stress on the grid. The system built to achieve the goal is a combination of the existing residential photovoltaic system, PHEV, Power Conditioning Unit (PCU), and a controller. The PCU involves two DC-DC Boost Converters and an inverter. This paper emphasizes on developing the controller logic and its implementation in order to accommodate the flexibility and benefits of the proposed integrated system. The proposed controller logic has been simulated using MATLAB SIMULINK and further implemented using Digital Signal Processor (DSP) microcontroller, TMS320F28035, from Texas Instruments

  6. Analysis of dpa Rates in the HFIR Reactor Vessel using a Hybrid Monte Carlo/Deterministic Method

    NASA Astrophysics Data System (ADS)

    Risner, J. M.; Blakeman, E. D.

    2016-02-01

    The Oak Ridge High Flux Isotope Reactor (HFIR), which began full-power operation in 1966, provides one of the highest steady-state neutron flux levels of any research reactor in the world. An ongoing vessel integrity analysis program to assess radiation-induced embrittlement of the HFIR reactor vessel requires the calculation of neutron and gamma displacements per atom (dpa), particularly at locations near the beam tube nozzles, where radiation streaming effects are most pronounced. In this study we apply the Forward-Weighted Consistent Adjoint Driven Importance Sampling (FW-CADIS) technique in the ADVANTG code to develop variance reduction parameters for use in the MCNP radiation transport code. We initially evaluated dpa rates for dosimetry capsule locations, regions in the vicinity of the HB-2 beamline, and the vessel beltline region. We then extended the study to provide dpa rate maps using three-dimensional cylindrical mesh tallies that extend from approximately 12 in. below to approximately 12 in. above the height of the core. The mesh tally structures contain over 15,000 mesh cells, providing a detailed spatial map of neutron and photon dpa rates at all locations of interest. Relative errors in the mesh tally cells are typically less than 1%. Notice: This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC0500OR22725 with the US Department of Energy. The US Government retains and the publisher, by accepting the article for publication, acknowledges that the US Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for the US Government purposes.

  7. Integrating Hybrid Life Cycle Assessment with Multiobjective Optimization: A Modeling Framework.

    PubMed

    Yue, Dajun; Pandya, Shyama; You, Fengqi

    2016-02-01

    By combining life cycle assessment (LCA) with multiobjective optimization (MOO), the life cycle optimization (LCO) framework holds the promise not only to evaluate the environmental impacts for a given product but also to compare different alternatives and identify both ecologically and economically better decisions. Despite the recent methodological developments in LCA, most LCO applications are developed upon process-based LCA, which results in system boundary truncation and underestimation of the true impact. In this study, we propose a comprehensive LCO framework that seamlessly integrates MOO with integrated hybrid LCA. It quantifies both direct and indirect environmental impacts and incorporates them into the decision making process in addition to the more traditional economic criteria. The proposed LCO framework is demonstrated through an application on sustainable design of a potential bioethanol supply chain in the UK. Results indicate that the proposed hybrid LCO framework identifies a considerable amount of indirect greenhouse gas emissions (up to 58.4%) that are essentially ignored in process-based LCO. Among the biomass feedstock options considered, using woody biomass for bioethanol production would be the most preferable choice from a climate perspective, while the mixed use of wheat and wheat straw as feedstocks would be the most cost-effective one. PMID:26752618

  8. Fully integrated hybrid silicon free-space beam steering source with 32-channel phased array

    NASA Astrophysics Data System (ADS)

    Hulme, J. C.; Doylend, J. K.; Heck, M. J. R.; Peters, J. D.; Davenport, M. L.; Bovington, J. T.; Coldren, L. A.; Bowers, J. E.

    2014-03-01

    Free-space beam steering using optical phased arrays is a promising method for implementing free-space communication links and Light Detection and Ranging (LIDAR) without the sensitivity to inertial forces and long latencies which characterize moving parts. Implementing this approach on a silicon-based photonic integrated circuit adds the additional advantage of working with highly developed CMOS processing techniques. In this work we discuss our progress in the development of a fully integrated 32 channel PIC with a widely tunable diode laser, a waveguide phased array, an array of fast phase modulators, an array of hybrid III-V/silicon amplifiers, surface gratings, and a graded index lens (GRIN) feeding an array of photodiodes for feedback control. The PIC has been designed to provide beam steering across a 15°x5° field of view with 0.6°x0.6° beam width and background peaks suppressed 15 dB relative to the main lobe within the field of view for arbitrarily chosen beam directions. Fabrication follows the hybrid silicon process developed at UCSB with modifications to incorporate silicon diodes and a GRIN lens.

  9. Heterogeneous integration technology for hybrid optoelectronic and electronic device and module fabrication

    NASA Astrophysics Data System (ADS)

    Jin, Michael Sungchun

    Various forms of optical computing architectures have promised enhanced processing capabilities well beyond the limits of traditional VLSI technology during the past decade. However, the progress toward realizing this vision has been severely limited by the lack of mature technology to fabricate heterogeneously integrated optoelectronic transceiver arrays (consisting of VLSI electronics with optoelectronic devices) that are necessary to link the functionality of photonic input/output devices with electronic processors. This dissertation describes a research effort that addressed this need by exploring innovative, yet highly manufacturable integration approaches that can be utilized to fabricate hybrid optoelectronic transceivers by integrating thin silicon device layers on bulk electro-optic (e.g. lead lanthanum zirconate titanate- PLZT) and other host substrates. The two integration techniques developed are: (1) B& P (Bond and Processing) technology involving bonding of bulk-quality thin silicon layer to PLZT followed by low temperature NMOS processing and (2) DDB (Direct-Device Bonding) technology, where circuit layer fabricated in SOI-silicon is thinned and bonded directly to a PLZT substrate. Characteristics of electronic circuits and modulators in integrated Si/PLZT SLMs are measured to be comparable to that of reference devices fabricated in bulk silicon and PLZT substrates. The application of the developed integration technology specifically toward fabricating Si/PLZT spatial light modulator is examined in detail. The developed device layer grafting technology based on chemo-mechanical lapping and reactive ion etching processes can be applied to assemble miniature ``mixed technology'' systems consisting of devices fabricated by different manufacturing processes (e.g. CMOS, MEMS, VCSEL and GaAs processes) in a monolithic fashion. The latter half of the thesis details experimental

  10. Hybrid integrated biological-solid-state system powered with adenosine triphosphate.

    PubMed

    Roseman, Jared M; Lin, Jianxun; Ramakrishnan, Siddharth; Rosenstein, Jacob K; Shepard, Kenneth L

    2015-01-01

    There is enormous potential in combining the capabilities of the biological and the solid state to create hybrid engineered systems. While there have been recent efforts to harness power from naturally occurring potentials in living systems in plants and animals to power complementary metal-oxide-semiconductor integrated circuits, here we report the first successful effort to isolate the energetics of an electrogenic ion pump in an engineered in vitro environment to power such an artificial system. An integrated circuit is powered by adenosine triphosphate through the action of Na(+)/K(+) adenosine triphosphatases in an integrated in vitro lipid bilayer membrane. The ion pumps (active in the membrane at numbers exceeding 2 × 10(6) mm(-2)) are able to sustain a short-circuit current of 32.6 pA mm(-2) and an open-circuit voltage of 78 mV, providing for a maximum power transfer of 1.27 pW mm(-2) from a single bilayer. Two series-stacked bilayers provide a voltage sufficient to operate an integrated circuit with a conversion efficiency of chemical to electrical energy of 14.9%. PMID:26638983

  11. Hybrid integrated biological–solid-state system powered with adenosine triphosphate

    PubMed Central

    Roseman, Jared M.; Lin, Jianxun; Ramakrishnan, Siddharth; Rosenstein, Jacob K.; Shepard, Kenneth L.

    2015-01-01

    There is enormous potential in combining the capabilities of the biological and the solid state to create hybrid engineered systems. While there have been recent efforts to harness power from naturally occurring potentials in living systems in plants and animals to power complementary metal-oxide-semiconductor integrated circuits, here we report the first successful effort to isolate the energetics of an electrogenic ion pump in an engineered in vitro environment to power such an artificial system. An integrated circuit is powered by adenosine triphosphate through the action of Na+/K+ adenosine triphosphatases in an integrated in vitro lipid bilayer membrane. The ion pumps (active in the membrane at numbers exceeding 2 × 106 mm−2) are able to sustain a short-circuit current of 32.6 pA mm−2 and an open-circuit voltage of 78 mV, providing for a maximum power transfer of 1.27 pW mm−2 from a single bilayer. Two series-stacked bilayers provide a voltage sufficient to operate an integrated circuit with a conversion efficiency of chemical to electrical energy of 14.9%. PMID:26638983

  12. Hybrid integrated biological-solid-state system powered with adenosine triphosphate

    NASA Astrophysics Data System (ADS)

    Roseman, Jared M.; Lin, Jianxun; Ramakrishnan, Siddharth; Rosenstein, Jacob K.; Shepard, Kenneth L.

    2015-12-01

    There is enormous potential in combining the capabilities of the biological and the solid state to create hybrid engineered systems. While there have been recent efforts to harness power from naturally occurring potentials in living systems in plants and animals to power complementary metal-oxide-semiconductor integrated circuits, here we report the first successful effort to isolate the energetics of an electrogenic ion pump in an engineered in vitro environment to power such an artificial system. An integrated circuit is powered by adenosine triphosphate through the action of Na+/K+ adenosine triphosphatases in an integrated in vitro lipid bilayer membrane. The ion pumps (active in the membrane at numbers exceeding 2 × 106 mm-2) are able to sustain a short-circuit current of 32.6 pA mm-2 and an open-circuit voltage of 78 mV, providing for a maximum power transfer of 1.27 pW mm-2 from a single bilayer. Two series-stacked bilayers provide a voltage sufficient to operate an integrated circuit with a conversion efficiency of chemical to electrical energy of 14.9%.

  13. New integrated Monte Carlo code for the simulation of high-resolution scanning electron microscopy images for metrology in microlithography

    NASA Astrophysics Data System (ADS)

    Ilgüsatiroglu, Emre; Illarionov, Alexey Yu.; Ciappa, Mauro; Pfäffli, Paul; Bomholt, Lars

    2014-04-01

    A new Monte Carlo code is presented that includes among others definition of arbitrary geometries with sub-nanometer resolution, high performance parallel computing capabilities, trapped charge, electric field calculation, electron tracking in electrostatic field, and calculation of 3D dose distributions. These functionalities are efficiently implemented thanks to the coupling of the Monte Carlo simulator with a TCAD environment. Applications shown are the synthesis of SEM linescans and images that focus on the evaluation of the impact of proximity effects and self charging on the quantitative extraction of critical dimensions in dense photoresist structures.

  14. Transcap: A new integrated hybrid supercapacitor and electrolyte-gated transistor device (Presentation Recording)

    NASA Astrophysics Data System (ADS)

    Santato, Clara

    2015-10-01

    The boom in multifunctional, flexible, and portable electronics and the increasing need of low-energy cost and autonomy for applications ranging from wireless sensor networks for smart environments to biomedical applications are triggering research efforts towards the development of self-powered sustainable electronic devices. Within this context, the coupling of electronic devices (e.g. sensors, transistors) with small size energy storage systems (e.g. micro-batteries or micro-supercapacitors) is actively pursued. Micro-electrochemical supercapacitors are attracting much attention in electronics for their capability of delivering short power pulses with high stability over repeated charge/discharge cycling. For their high specific pseudocapacitance, electronically conducting polymers are well known as positive materials for hybrid supercapacitors featuring high surface carbon negative electrodes. The processability of both polymer and carbon is of great relevance for the development of flexible miniaturised devices. Electronically conducting polymers are even well known to feature an electronic conductivity that depends on their oxidation (p-doped state) and that it is modulated by the polymer potential. This property and the related pseudocapacitive response make polymer very attracting channel materials for electrolyte-gated (EG) transistors. Here, we propose a novel concept of "Trans-capacitor", an integrated device that exhibits the storage properties of a polymer/carbon hybrid supercapacitor and the low-voltage operation of an electrolyte-gated transistor.

  15. Automatic on-chip RNA-DNA hybridization assay with integrated phase change microvalves

    NASA Astrophysics Data System (ADS)

    Weng, Xuan; Jiang, Hai; Wang, Junsheng; Chen, Shu; Cao, Honghe; Li, Dongqing

    2012-07-01

    An RNA-DNA hybridization assay microfluidic chip integrated with electrothermally actuated phase change microvalves for detecting pathogenic bacteria is presented in this paper. In order to realize the sequential loading and washing processes required in such an assay, gravity-based pressure-driven flow and phase-change microvalves were used in the microfluidic chip. Paraffin wax was used as the phase change material in the valves and thin film heaters were used to electrothermally actuate microvalves. Light absorption measured by a photodetector to determine the concentrations of the samples. The automatic control of the complete assay was implemented by a self-coded LabVIEW program. To examine the performance of this chip, Salmonella was used as a sample pathogen. Significantly, reduction in reagent/sample consumption (up to 20 folds) was achieved by this on-chip assay, compared with using the commercial test kit following the same protocol in conventional labs. The experimental results show that the quantitative detection can be obtained in approximately 26 min, and the detection limit is as low as 103 CFU ml-1. This RNA-DNA hybridization assay microfluidic chip shows an excellent potential in the development of a portable device for point-of-testing applications.

  16. Turbine Powered Simulator Calibration and Testing for Hybrid Wing Body Powered Airframe Integration

    NASA Technical Reports Server (NTRS)

    Shea, Patrick R.; Flamm, Jeffrey D.; Long, Kurtis R.; James, Kevin D.; Tompkins, Daniel M.; Beyar, Michael D.

    2016-01-01

    Propulsion airframe integration testing on a 5.75% scale hybrid wing body model us- ing turbine powered simulators was completed at the National Full-Scale Aerodynamics Complex 40- by 80-foot test section. Four rear control surface con gurations including a no control surface de ection con guration were tested with the turbine powered simulator units to investigate how the jet exhaust in uenced the control surface performance as re- lated to the resultant forces and moments on the model. Compared to ow-through nacelle testing on the same hybrid wing body model, the control surface e ectiveness was found to increase with the turbine powered simulator units operating. This was true for pitching moment, lift, and drag although pitching moment was the parameter of greatest interest for this project. With the turbine powered simulator units operating, the model pitching moment was seen to increase when compared to the ow-through nacelle con guration indicating that the center elevon and vertical tail control authority increased with the jet exhaust from the turbine powered simulator units.

  17. Towards the development of a hybrid-integrated chip interferometer for online surface profile measurements.

    PubMed

    Kumar, P; Martin, H; Jiang, X

    2016-06-01

    Non-destructive testing and online measurement of surface features are pressing demands in manufacturing. Thus optical techniques are gaining importance for characterization of complex engineering surfaces. Harnessing integrated optics for miniaturization of interferometry systems onto a silicon wafer and incorporating a compact optical probe would enable the development of a handheld sensor for embedded metrology applications. In this work, we present the progress in the development of a hybrid photonics based metrology sensor device for online surface profile measurements. The measurement principle along with test and measurement results of individual components has been presented. For non-contact measurement, a spectrally encoded lateral scanning probe based on the laser scanning microscopy has been developed to provide fast measurement with lateral resolution limited to the diffraction limit. The probe demonstrates a lateral resolution of ∼3.6 μm while high axial resolution (sub-nanometre) is inherently achieved by interferometry. Further the performance of the hybrid tuneable laser and the scanning probe was evaluated by measuring a standard step height sample of 100 nm. PMID:27370493

  18. Integrated genome and transcriptome sequencing identifies a novel form of hybrid and aggressive prostate cancer.

    PubMed

    Wu, Chunxiao; Wyatt, Alexander W; Lapuk, Anna V; McPherson, Andrew; McConeghy, Brian J; Bell, Robert H; Anderson, Shawn; Haegert, Anne; Brahmbhatt, Sonal; Shukin, Robert; Mo, Fan; Li, Estelle; Fazli, Ladan; Hurtado-Coll, Antonio; Jones, Edward C; Butterfield, Yaron S; Hach, Faraz; Hormozdiari, Fereydoun; Hajirasouliha, Iman; Boutros, Paul C; Bristow, Robert G; Jones, Steven Jm; Hirst, Martin; Marra, Marco A; Maher, Christopher A; Chinnaiyan, Arul M; Sahinalp, S Cenk; Gleave, Martin E; Volik, Stanislav V; Collins, Colin C

    2012-05-01

    Next-generation sequencing is making sequence-based molecular pathology and personalized oncology viable. We selected an individual initially diagnosed with conventional but aggressive prostate adenocarcinoma and sequenced the genome and transcriptome from primary and metastatic tissues collected prior to hormone therapy. The histology-pathology and copy number profiles were remarkably homogeneous, yet it was possible to propose the quadrant of the prostate tumour that likely seeded the metastatic diaspora. Despite a homogeneous cell type, our transcriptome analysis revealed signatures of both luminal and neuroendocrine cell types. Remarkably, the repertoire of expressed but apparently private gene fusions, including C15orf21:MYC, recapitulated this biology. We hypothesize that the amplification and over-expression of the stem cell gene MSI2 may have contributed to the stable hybrid cellular identity. This hybrid luminal-neuroendocrine tumour appears to represent a novel and highly aggressive case of prostate cancer with unique biological features and, conceivably, a propensity for rapid progression to castrate-resistance. Overall, this work highlights the importance of integrated analyses of genome, exome and transcriptome sequences for basic tumour biology, sequence-based molecular pathology and personalized oncology. PMID:22294438

  19. Hybrid surgical guidance based on the integration of radionuclear and optical technologies.

    PubMed

    van Leeuwen, Fijs W B; Valdés-Olmos, Renato; Buckle, Tessa; Vidal-Sicart, Sergi

    2016-06-01

    With the evolution of imaging technologies and tracers, the applications for nuclear molecular imaging are growing rapidly. For example, nuclear medicine is increasingly being used to guide surgical resections in complex anatomical locations. Here, a future workflow is envisioned that uses a combination of pre-operative diagnostics, navigation and intraoperative guidance. Radioguidance can provide means for pre-operative and intraoperative identification of "hot" lesions, forming the basis of a virtual data set that can be used for navigation. Luminescence guidance has shown great potential in the intraoperative setting by providing optical feedback, in some cases even in real time. Both of these techniques have distinct drawbacks, which include inaccuracy in areas that contain a background signal (radioactivity) or a limited degree of signal penetration (luminescence). We, and others, have reasoned that hybrid/multimodal approaches that integrate the use of these complementary modalities may help overcome their individual weaknesses. Ultimately, this will lead to advancement of the field of interventional molecular imaging/image-guided surgery. In this review, an overview of clinically applied hybrid surgical guidance technologies is given, whereby the focus is placed on tracers and hardware. PMID:26943463

  20. Design and fabrication of adiabatic vertical couplers for hybrid integration by flip-chip bonding

    NASA Astrophysics Data System (ADS)

    Mu, Jinfeng; Sefunc, Mustafa A.; Xu, Bojian; Dijkstra, Meindert; García-Blanco, Sonia M.

    2016-02-01

    Rare-earth ion doped crystalline potassium double tungstates, such as KY(WO4)2, KLu(WO4)2 and KY(WO4)2, exhibit many properties that make them promising candidates for the realization of lasers and amplifiers in integrated photonics. One of the key challenges for the hybrid integration of different photonic platforms remains the design and fabrication of low-loss and fabrication tolerant couplers for transferring light between different waveguides. In this paper, adiabatic vertical couplers realized by flip-chip bonding of polymer waveguides to Si3N4 devices are designed, fabricated and tested. An efficient design flow combining 2D and 3D simulations was proposed and its validity was demonstrated. The vertical couplers will ultimately be used for the integration of erbium doped KY(WO4)2 waveguides with passive platforms. The designed couplers exhibit less than 0.5 dB losses at adiabatic angles and below 1 dB loss for ±0.5 μm lateral misalignment. The fabricated vertical couplers show less than 1dB losses in average for different adiabatic angles of Si3N4 tapers, which is in good quantitative agreement with the simulations.

  1. Erbium-doped zinc-oxide waveguide amplifiers for hybrid photonic integrated circuits

    NASA Astrophysics Data System (ADS)

    O'Neal, Lawrence; Anthony, Deion; Bonner, Carl; Geddis, Demetris

    2016-02-01

    CMOS logic circuits have entered the sub-100nm regime, and research is on-going to investigate the quantum effects that are apparent at this dimension. To avoid some of the constraints imposed by fabrication, entropy, energy, and interference considerations for nano-scale devices, many have begun designing hybrid and/or photonic integrated circuits. These circuits consist of transistors, light emitters, photodetectors, and electrical and optical waveguides. As attenuation is a limiting factor in any communications system, it is advantageous to integrate a signal amplifier. There are numerous examples of electrical amplifiers, but in order to take advantage of the benefits provided by optically integrated systems, optical amplifiers are necessary. The erbium doped fiber amplifier is an example of an optical amplifier which is commercially available now, but the distance between the amplifier and the device benefitting from amplification can be decreased and provide greater functionality by providing local, on-chip amplification. Zinc oxide is an attractive material due to its electrical and optical properties. Its wide bandgap (≍3.4 eV) and high refractive index (≍2) make it an excellent choice for integrated optics systems. Moreover, erbium doped zinc oxide (Er:ZnO) is a suitable candidate for optical waveguide amplifiers because of its compatibility with semiconductor processing technology, 1.54 μm luminescence, transparency, low resistivity, and amplification characteristics. This research presents the characterization of radio frequency magnetron sputtered Er:ZnO, the design and fabrication of integrated waveguide amplifiers, and device analysis.

  2. HybridDock: A Hybrid Protein-Ligand Docking Protocol Integrating Protein- and Ligand-Based Approaches.

    PubMed

    Huang, Sheng-You; Li, Min; Wang, Jianxin; Pan, Yi

    2016-06-27

    Structure-based molecular docking and ligand-based similarity search are two commonly used computational methods in computer-aided drug design. Structure-based docking tries to utilize the structural information on a drug target like protein, and ligand-based screening takes advantage of the information on known ligands for a target. Given their different advantages, it would be desirable to use both protein- and ligand-based approaches in drug discovery when information for both the protein and known ligands is available. Here, we have presented a general hybrid docking protocol, referred to as HybridDock, to utilize both the protein structures and known ligands by combining the molecular docking program MDock and the ligand-based similarity search method SHAFTS, and evaluated our hybrid docking protocol on the CSAR 2013 and 2014 exercises. The results showed that overall our hybrid docking protocol significantly improved the performance in both binding affinity and binding mode predictions, compared to the sole MDock program. The efficacy of the hybrid docking protocol was further confirmed using the combination of DOCK and SHAFTS, suggesting an alternative docking approach for modern drug design/discovery. PMID:26317502

  3. Applications integration in a hybrid cloud computing environment: modelling and platform

    NASA Astrophysics Data System (ADS)

    Li, Qing; Wang, Ze-yuan; Li, Wei-hua; Li, Jun; Wang, Cheng; Du, Rui-yang

    2013-08-01

    With the development of application services providers and cloud computing, more and more small- and medium-sized business enterprises use software services and even infrastructure services provided by professional information service companies to replace all or part of their information systems (ISs). These information service companies provide applications, such as data storage, computing processes, document sharing and even management information system services as public resources to support the business process management of their customers. However, no cloud computing service vendor can satisfy the full functional IS requirements of an enterprise. As a result, enterprises often have to simultaneously use systems distributed in different clouds and their intra enterprise ISs. Thus, this article presents a framework to integrate applications deployed in public clouds and intra ISs. A run-time platform is developed and a cross-computing environment process modelling technique is also developed to improve the feasibility of ISs under hybrid cloud computing environments.

  4. Image restoration of hybrid time delay and integration camera system with residual motion

    NASA Astrophysics Data System (ADS)

    Zheng, Zhenzhen; Wu, Jiagu; Feng, Huajun; Xu, Zhihai; Li, Qi; Chen, Yueting

    2011-06-01

    In this paper, we present a hybrid system for time delay and integration (TDI) image restoration. Images are degraded by residual motion, which distorts and blurs the TDI images during exposures and excludes the along-track scanning motion. The motion trajectory is estimated from the image sequence captured by an auxiliary high-speed camera. In order to make the estimated results less sensitive to the imaging conditions and noise, a new method based on cross-correlation is introduced for motion estimation. Then geometric distortion of the TDI image is removed by choosing the correct blurred block according to the central of the corresponding motion trajectory and the final image is restored row by row with the Richardson-Lucy algorithm. Simulated and experimental results are given to prove the effectiveness of our system.

  5. Integrated optical frequency shifter in silicon-organic hybrid (SOH) technology.

    PubMed

    Lauermann, M; Weimann, C; Knopf, A; Heni, W; Palmer, R; Koeber, S; Elder, D L; Bogaerts, W; Leuthold, J; Dalton, L R; Rembe, C; Freude, W; Koos, C

    2016-05-30

    We demonstrate for the first time a waveguide-based frequency shifter on the silicon photonic platform using single-sideband modulation. The device is based on silicon-organic hybrid (SOH) electro-optic modulators, which combine conventional silicon-on-insulator waveguides with highly efficient electro-optic cladding materials. Using small-signal modulation, we demonstrate frequency shifts of up to 10 GHz. We further show large-signal modulation with optimized waveforms, enabling a conversion efficiency of -5.8 dB while suppressing spurious side-modes by more than 23 dB. In contrast to conventional acousto-optic frequency shifters, our devices lend themselves to large-scale integration on silicon substrates, while enabling frequency shifts that are several orders of magnitude larger than those demonstrated with all-silicon serrodyne devices. PMID:27410095

  6. Hybrid plasmon/dielectric waveguide for integrated silicon-on-insulator optical elements

    NASA Astrophysics Data System (ADS)

    Banks, Jonathan; Flammer, David; Durfee, Charles; Furtak, Tom; Collins, Reuben; Hollingsworth, Russell

    2009-10-01

    We present a hybrid plasmon/dielectric single-mode single-polarization waveguide on silicon-on-insulator wafers. The structure is fabricable using VLSI processing techniques and minimizes losses due to surface roughness and metallic losses. Because only a single mode and single polarization is admitted, birefringent effects are eliminated. Both simulations and experimental verification of the modes are presented. Simulations show the waveguide can be tuned for either very long propagation lengths or sub-wavelength confinement by changing a patterned metal line width and oxide thickness, which are easily done with VLSI methods. Simulations show sub-wavelength confinement modes with propagation lengths greater than 100 microns, and micron-scale confinement modes with 7mm propagation lengths. This structure naturally forms an MOS capacitor that may be used for active device integration.

  7. A hybrid design methodology for structuring an Integrated Environmental Management System (IEMS) for shipping business.

    PubMed

    Celik, Metin

    2009-03-01

    The International Safety Management (ISM) Code defines a broad framework for the safe management and operation of merchant ships, maintaining high standards of safety and environmental protection. On the other hand, ISO 14001:2004 provides a generic, worldwide environmental management standard that has been utilized by several industries. Both the ISM Code and ISO 14001:2004 have the practical goal of establishing a sustainable Integrated Environmental Management System (IEMS) for shipping businesses. This paper presents a hybrid design methodology that shows how requirements from both standards can be combined into a single execution scheme. Specifically, the Analytic Hierarchy Process (AHP) and Fuzzy Axiomatic Design (FAD) are used to structure an IEMS for ship management companies. This research provides decision aid to maritime executives in order to enhance the environmental performance in the shipping industry. PMID:19038488

  8. Acceleration of Monte Carlo simulation of photon migration in complex heterogeneous media using Intel many-integrated core architecture.

    PubMed

    Gorshkov, Anton V; Kirillin, Mikhail Yu

    2015-08-01

    Over two decades, the Monte Carlo technique has become a gold standard in simulation of light propagation in turbid media, including biotissues. Technological solutions provide further advances of this technique. The Intel Xeon Phi coprocessor is a new type of accelerator for highly parallel general purpose computing, which allows execution of a wide range of applications without substantial code modification. We present a technical approach of porting our previously developed Monte Carlo (MC) code for simulation of light transport in tissues to the Intel Xeon Phi coprocessor. We show that employing the accelerator allows reducing computational time of MC simulation and obtaining simulation speed-up comparable to GPU. We demonstrate the performance of the developed code for simulation of light transport in the human head and determination of the measurement volume in near-infrared spectroscopy brain sensing. PMID:26249663

  9. High-performance hybrid complementary logic inverter through monolithic integration of a MEMS switch and an oxide TFT.

    PubMed

    Song, Yong-Ha; Ahn, Sang-Joon Kenny; Kim, Min-Wu; Lee, Jeong-Oen; Hwang, Chi-Sun; Pi, Jae-Eun; Ko, Seung-Deok; Choi, Kwang-Wook; Park, Sang-Hee Ko; Yoon, Jun-Bo

    2015-03-25

    A hybrid complementary logic inverter consisting of a microelectromechanical system switch as a promising alternative for the p-type oxide thin film transistor (TFT) and an n-type oxide TFT is presented for ultralow power integrated circuits. These heterogeneous microdevices are monolithically integrated. The resulting logic device shows a distinctive voltage transfer characteristic curve, very low static leakage, zero-short circuit current, and exceedingly high voltage gain. PMID:25418881

  10. 1-D EQUILIBRIUM DISCRETE DIFFUSION MONTE CARLO

    SciTech Connect

    T. EVANS; ET AL

    2000-08-01

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