A two-dimensional model of odd nitrogen in the thermosphere and mesosphere

NASA Technical Reports Server (NTRS)

Gerard, J. C.; Roble, R. G.; Rusch, D. W.

1980-01-01

Satellite measurements of the global nitric oxide distribution demonstrating the need for a two dimensional model of odd nitrogen photochemistry and transport in the thermosphere and mesosphere are reviewed. The main characteristics of a new code solving the transport equation for N(4S), N(2D), and N0 are given. This model extends from pole to pole between 75 and 275 km and reacts to the magnetic activity, the ultraviolet solar flux, and the neutral wind field. The effects of ionization and subsequent odd nitrogen production by high latitude particle precipitation are also included. Preliminary results are illustrated for a magnetically quiet solar minimum period with no neutral wind.

Plane Poiseuille flow of a rarefied gas in the presence of strong gravitation.

PubMed

Doi, Toshiyuki

2011-02-01

Plane Poiseuille flow of a rarefied gas, which flows horizontally in the presence of strong gravitation, is studied based on the Boltzmann equation. Applying the asymptotic analysis for a small variation in the flow direction [Y. Sone, Molecular Gas Dynamics (Birkhäuser, 2007)], the two-dimensional problem is reduced to a one-dimensional problem, as in the case of a Poiseuille flow in the absence of gravitation, and the solution is obtained in a semianalytical form. The reduced one-dimensional problem is solved numerically for a hard sphere molecular gas over a wide range of the gas-rarefaction degree and the gravitational strength. The presence of gravitation reduces the mass flow rate, and the effect of gravitation is significant for large Knudsen numbers. To verify the validity of the asymptotic solution, a two-dimensional problem of a flow through a long channel is directly solved numerically, and the validity of the asymptotic solution is confirmed. ©2011 American Physical Society

An iterative bidirectional heuristic placement algorithm for solving the two-dimensional knapsack packing problem

NASA Astrophysics Data System (ADS)

Shiangjen, Kanokwatt; Chaijaruwanich, Jeerayut; Srisujjalertwaja, Wijak; Unachak, Prakarn; Somhom, Samerkae

2018-02-01

This article presents an efficient heuristic placement algorithm, namely, a bidirectional heuristic placement, for solving the two-dimensional rectangular knapsack packing problem. The heuristic demonstrates ways to maximize space utilization by fitting the appropriate rectangle from both sides of the wall of the current residual space layer by layer. The iterative local search along with a shift strategy is developed and applied to the heuristic to balance the exploitation and exploration tasks in the solution space without the tuning of any parameters. The experimental results on many scales of packing problems show that this approach can produce high-quality solutions for most of the benchmark datasets, especially for large-scale problems, within a reasonable duration of computational time.

Renormalizable Quantum Field Theories in the Large -n Limit

NASA Astrophysics Data System (ADS)

Guruswamy, Sathya

1995-01-01

In this thesis, we study two examples of renormalizable quantum field theories in the large-N limit. Chapter one is a general introduction describing physical motivations for studying such theories. In chapter two, we describe the large-N method in field theory and discuss the pioneering work of 't Hooft in large-N two-dimensional Quantum Chromodynamics (QCD). In chapter three we study a spherically symmetric approximation to four-dimensional QCD ('spherical QCD'). We recast spherical QCD into a bilocal (constrained) theory of hadrons which in the large-N limit is equivalent to large-N spherical QCD for all energy scales. The linear approximation to this theory gives an eigenvalue equation which is the analogue of the well-known 't Hooft's integral equation in two dimensions. This eigenvalue equation is a scale invariant one and therefore leads to divergences in the theory. We give a non-perturbative renormalization prescription to cure this and obtain a beta function which shows that large-N spherical QCD is asymptotically free. In chapter four, we review the essentials of conformal field theories in two and higher dimensions, particularly in the context of critical phenomena. In chapter five, we study the O(N) non-linear sigma model on three-dimensional curved spaces in the large-N limit and show that there is a non-trivial ultraviolet stable critical point at which it becomes conformally invariant. We study this model at this critical point on examples of spaces of constant curvature and compute the mass gap in the theory, the free energy density (which turns out to be a universal function of the information contained in the geometry of the manifold) and the two-point correlation functions. The results we get give an indication that this model is an example of a three-dimensional analogue of a rational conformal field theory. A conclusion with a brief summary and remarks follows at the end.

Methods, apparatuses, and computer-readable media for projectional morphological analysis of N-dimensional signals

DOEpatents

Glazoff, Michael V.; Gering, Kevin L.; Garnier, John E.; Rashkeev, Sergey N.; Pyt'ev, Yuri Petrovich

2016-05-17

Embodiments discussed herein in the form of methods, systems, and computer-readable media deal with the application of advanced "projectional" morphological algorithms for solving a broad range of problems. In a method of performing projectional morphological analysis, an N-dimensional input signal is supplied. At least one N-dimensional form indicative of at least one feature in the N-dimensional input signal is identified. The N-dimensional input signal is filtered relative to the at least one N-dimensional form and an N-dimensional output signal is generated indicating results of the filtering at least as differences in the N-dimensional input signal relative to the at least one N-dimensional form.

Higher-dimensional gravitational collapse of perfect fluid spherically symmetric spacetime in f(R, T) gravity

NASA Astrophysics Data System (ADS)

Khan, Suhail; Khan, Muhammad Shoaib; Ali, Amjad

2018-04-01

In this paper, our aim is to study (n + 2)-dimensional collapse of perfect fluid spherically symmetric spacetime in the context of f(R, T) gravity. The matching conditions are acquired by considering a spherically symmetric non-static (n + 2)-dimensional metric in the inner region and Schwarzschild (n + 2)-dimensional metric in the outer region of the star. To solve the field equations for above settings in f(R, T) gravity, we choose the stress-energy tensor trace and the Ricci scalar as constants. It is observed that two physical horizons, namely, cosmological and black hole horizons appear as a consequence of this collapse. A singularity is also formed after the birth of both the horizons. It is also observed that the term f(R0, T0) slows down the collapsing process.

ITQ-54: a multi-dimensional extra-large pore zeolite with 20 × 14 × 12-ring channels

DOE PAGES

Jiang, Jiuxing; Yun, Yifeng; Zou, Xiaodong; ...

2015-01-01

A multi-dimensional extra-large pore silicogermanate zeolite, named ITQ-54, has been synthesised by in situ decomposition of the N,N-dicyclohexylisoindolinium cation into the N-cyclohexylisoindolinium cation. Its structure was solved by 3D rotation electron diffraction (RED) from crystals of ca. 1 μm in size. The structure of ITQ-54 contains straight intersecting 20 × 14 × 12-ring channels along the three crystallographic axes and it is one of the few zeolites with extra-large channels in more than one direction. ITQ-54 has a framework density of 11.1 T atoms per 1000 Å 3, which is one of the lowest among the known zeolites. ITQ-54 wasmore » obtained together with GeO 2 as an impurity. A heavy liquid separation method was developed and successfully applied to remove this impurity from the zeolite. ITQ-54 is stable up to 600 °C and exhibits permanent porosity. The structure was further refined using powder X-ray diffraction (PXRD) data for both as-made and calcined samples.« less

Two atoms in an anisotropic harmonic trap

DOE Office of Scientific and Technical Information (OSTI.GOV)

Idziaszek, Z.; Centrum Fizyki Teoretycznej, Polska Akademia Nauk, 02-668 Warsaw; Calarco, T.

2005-05-15

We consider the system of two interacting atoms confined in axially symmetric harmonic trap. Within the pseudopotential approximation, we solve the Schroedinger equation exactly, discussing the limits of quasi-one-and quasi-two-dimensional geometries. Finally, we discuss the application of an energy-dependent pseudopotential, which allows us to extend the validity of our results to the case of tight traps and large scattering lengths.

Solving large scale traveling salesman problems by chaotic neurodynamics.

PubMed

Hasegawa, Mikio; Ikeguch, Tohru; Aihara, Kazuyuki

2002-03-01

We propose a novel approach for solving large scale traveling salesman problems (TSPs) by chaotic dynamics. First, we realize the tabu search on a neural network, by utilizing the refractory effects as the tabu effects. Then, we extend it to a chaotic neural network version. We propose two types of chaotic searching methods, which are based on two different tabu searches. While the first one requires neurons of the order of n2 for an n-city TSP, the second one requires only n neurons. Moreover, an automatic parameter tuning method of our chaotic neural network is presented for easy application to various problems. Last, we show that our method with n neurons is applicable to large TSPs such as an 85,900-city problem and exhibits better performance than the conventional stochastic searches and the tabu searches.

Methodology for Sensitivity Analysis, Approximate Analysis, and Design Optimization in CFD for Multidisciplinary Applications

NASA Technical Reports Server (NTRS)

Taylor, Arthur C., III; Hou, Gene W.

1996-01-01

An incremental iterative formulation together with the well-known spatially split approximate-factorization algorithm, is presented for solving the large, sparse systems of linear equations that are associated with aerodynamic sensitivity analysis. This formulation is also known as the 'delta' or 'correction' form. For the smaller two dimensional problems, a direct method can be applied to solve these linear equations in either the standard or the incremental form, in which case the two are equivalent. However, iterative methods are needed for larger two-dimensional and three dimensional applications because direct methods require more computer memory than is currently available. Iterative methods for solving these equations in the standard form are generally unsatisfactory due to an ill-conditioned coefficient matrix; this problem is overcome when these equations are cast in the incremental form. The methodology is successfully implemented and tested using an upwind cell-centered finite-volume formulation applied in two dimensions to the thin-layer Navier-Stokes equations for external flow over an airfoil. In three dimensions this methodology is demonstrated with a marching-solution algorithm for the Euler equations to calculate supersonic flow over the High-Speed Civil Transport configuration (HSCT 24E). The sensitivity derivatives obtained with the incremental iterative method from a marching Euler code are used in a design-improvement study of the HSCT configuration that involves thickness. camber, and planform design variables.

The solution of large multi-dimensional Poisson problems

NASA Technical Reports Server (NTRS)

Stone, H. S.

1974-01-01

The Buneman algorithm for solving Poisson problems can be adapted to solve large Poisson problems on computers with a rotating drum memory so that the computation is done with very little time lost due to rotational latency of the drum.

The First Mammalian Aldehyde Oxidase Crystal Structure

PubMed Central

Coelho, Catarina; Mahro, Martin; Trincão, José; Carvalho, Alexandra T. P.; Ramos, Maria João; Terao, Mineko; Garattini, Enrico; Leimkühler, Silke; Romão, Maria João

2012-01-01

Aldehyde oxidases (AOXs) are homodimeric proteins belonging to the xanthine oxidase family of molybdenum-containing enzymes. Each 150-kDa monomer contains a FAD redox cofactor, two spectroscopically distinct [2Fe-2S] clusters, and a molybdenum cofactor located within the protein active site. AOXs are characterized by broad range substrate specificity, oxidizing different aldehydes and aromatic N-heterocycles. Despite increasing recognition of its role in the metabolism of drugs and xenobiotics, the physiological function of the protein is still largely unknown. We have crystallized and solved the crystal structure of mouse liver aldehyde oxidase 3 to 2.9 Å. This is the first mammalian AOX whose structure has been solved. The structure provides important insights into the protein active center and further evidence on the catalytic differences characterizing AOX and xanthine oxidoreductase. The mouse liver aldehyde oxidase 3 three-dimensional structure combined with kinetic, mutagenesis data, molecular docking, and molecular dynamics studies make a decisive contribution to understand the molecular basis of its rather broad substrate specificity. PMID:23019336

Direct Observation of 2D Electrostatics and Ohmic Contacts in Template-Grown Graphene/WS2 Heterostructures.

PubMed

Zheng, Changxi; Zhang, Qianhui; Weber, Bent; Ilatikhameneh, Hesameddin; Chen, Fan; Sahasrabudhe, Harshad; Rahman, Rajib; Li, Shiqiang; Chen, Zhen; Hellerstedt, Jack; Zhang, Yupeng; Duan, Wen Hui; Bao, Qiaoliang; Fuhrer, Michael S

2017-03-28

Large-area two-dimensional (2D) heterojunctions are promising building blocks of 2D circuits. Understanding their intriguing electrostatics is pivotal but largely hindered by the lack of direct observations. Here graphene-WS 2 heterojunctions are prepared over large areas using a seedless ambient-pressure chemical vapor deposition technique. Kelvin probe force microscopy, photoluminescence spectroscopy, and scanning tunneling microscopy characterize the doping in graphene-WS 2 heterojunctions as-grown on sapphire and transferred to SiO 2 with and without thermal annealing. Both p-n and n-n junctions are observed, and a flat-band condition (zero Schottky barrier height) is found for lightly n-doped WS 2 , promising low-resistance ohmic contacts. This indicates a more favorable band alignment for graphene-WS 2 than has been predicted, likely explaining the low barriers observed in transport experiments on similar heterojunctions. Electrostatic modeling demonstrates that the large depletion width of the graphene-WS 2 junction reflects the electrostatics of the one-dimensional junction between two-dimensional materials.

Reconstructing high-dimensional two-photon entangled states via compressive sensing

PubMed Central

Tonolini, Francesco; Chan, Susan; Agnew, Megan; Lindsay, Alan; Leach, Jonathan

2014-01-01

Accurately establishing the state of large-scale quantum systems is an important tool in quantum information science; however, the large number of unknown parameters hinders the rapid characterisation of such states, and reconstruction procedures can become prohibitively time-consuming. Compressive sensing, a procedure for solving inverse problems by incorporating prior knowledge about the form of the solution, provides an attractive alternative to the problem of high-dimensional quantum state characterisation. Using a modified version of compressive sensing that incorporates the principles of singular value thresholding, we reconstruct the density matrix of a high-dimensional two-photon entangled system. The dimension of each photon is equal to d = 17, corresponding to a system of 83521 unknown real parameters. Accurate reconstruction is achieved with approximately 2500 measurements, only 3% of the total number of unknown parameters in the state. The algorithm we develop is fast, computationally inexpensive, and applicable to a wide range of quantum states, thus demonstrating compressive sensing as an effective technique for measuring the state of large-scale quantum systems. PMID:25306850

Performance of parallel computation using CUDA for solving the one-dimensional elasticity equations

NASA Astrophysics Data System (ADS)

Darmawan, J. B. B.; Mungkasi, S.

2017-01-01

In this paper, we investigate the performance of parallel computation in solving the one-dimensional elasticity equations. Elasticity equations are usually implemented in engineering science. Solving these equations fast and efficiently is desired. Therefore, we propose the use of parallel computation. Our parallel computation uses CUDA of the NVIDIA. Our research results show that parallel computation using CUDA has a great advantage and is powerful when the computation is of large scale.

High-power flexible AlGaN/GaN heterostructure field-effect transistors with suppression of negative differential conductance

NASA Astrophysics Data System (ADS)

Oh, Seung Kyu; Cho, Moon Uk; Dallas, James; Jang, Taehoon; Lee, Dong Gyu; Pouladi, Sara; Chen, Jie; Wang, Weijie; Shervin, Shahab; Kim, Hyunsoo; Shin, Seungha; Choi, Sukwon; Kwak, Joon Seop; Ryou, Jae-Hyun

2017-09-01

We investigate thermo-electronic behaviors of flexible AlGaN/GaN heterostructure field-effect transistors (HFETs) for high-power operation of the devices using Raman thermometry, infrared imaging, and current-voltage characteristics. A large negative differential conductance observed in HFETs on polymeric flexible substrates is confirmed to originate from the decreasing mobility of the two-dimensional electron gas channel caused by the self-heating effect. We develop high-power transistors by suppressing the negative differential conductance in the flexible HFETs using chemical lift-off and modified Ti/Au/In metal bonding processes with copper (Cu) tapes for high thermal conductivity and low thermal interfacial resistance in the flexible hybrid structures. Among different flexible HFETs, the ID of the HFETs on Cu with Ni/Au/In structures decreases only by 11.3% with increasing drain bias from the peak current to the current at VDS = 20 V, which is close to that of the HFETs on Si (9.6%), solving the problem of previous flexible AlGaN/GaN transistors.

Focusing on the golden ball metaheuristic: an extended study on a wider set of problems.

PubMed

Osaba, E; Diaz, F; Carballedo, R; Onieva, E; Perallos, A

2014-01-01

Nowadays, the development of new metaheuristics for solving optimization problems is a topic of interest in the scientific community. In the literature, a large number of techniques of this kind can be found. Anyway, there are many recently proposed techniques, such as the artificial bee colony and imperialist competitive algorithm. This paper is focused on one recently published technique, the one called Golden Ball (GB). The GB is a multiple-population metaheuristic based on soccer concepts. Although it was designed to solve combinatorial optimization problems, until now, it has only been tested with two simple routing problems: the traveling salesman problem and the capacitated vehicle routing problem. In this paper, the GB is applied to four different combinatorial optimization problems. Two of them are routing problems, which are more complex than the previously used ones: the asymmetric traveling salesman problem and the vehicle routing problem with backhauls. Additionally, one constraint satisfaction problem (the n-queen problem) and one combinatorial design problem (the one-dimensional bin packing problem) have also been used. The outcomes obtained by GB are compared with the ones got by two different genetic algorithms and two distributed genetic algorithms. Additionally, two statistical tests are conducted to compare these results.

Focusing on the Golden Ball Metaheuristic: An Extended Study on a Wider Set of Problems

PubMed Central

Osaba, E.; Diaz, F.; Carballedo, R.; Onieva, E.; Perallos, A.

2014-01-01

Nowadays, the development of new metaheuristics for solving optimization problems is a topic of interest in the scientific community. In the literature, a large number of techniques of this kind can be found. Anyway, there are many recently proposed techniques, such as the artificial bee colony and imperialist competitive algorithm. This paper is focused on one recently published technique, the one called Golden Ball (GB). The GB is a multiple-population metaheuristic based on soccer concepts. Although it was designed to solve combinatorial optimization problems, until now, it has only been tested with two simple routing problems: the traveling salesman problem and the capacitated vehicle routing problem. In this paper, the GB is applied to four different combinatorial optimization problems. Two of them are routing problems, which are more complex than the previously used ones: the asymmetric traveling salesman problem and the vehicle routing problem with backhauls. Additionally, one constraint satisfaction problem (the n-queen problem) and one combinatorial design problem (the one-dimensional bin packing problem) have also been used. The outcomes obtained by GB are compared with the ones got by two different genetic algorithms and two distributed genetic algorithms. Additionally, two statistical tests are conducted to compare these results. PMID:25165742

A finite element conjugate gradient FFT method for scattering

NASA Technical Reports Server (NTRS)

Collins, Jeffery D.; Zapp, John; Hsa, Chang-Yu; Volakis, John L.

1990-01-01

An extension of a two dimensional formulation is presented for a three dimensional body of revolution. With the introduction of a Fourier expansion of the vector electric and magnetic fields, a coupled two dimensional system is generated and solved via the finite element method. An exact boundary condition is employed to terminate the mesh and the fast fourier transformation (FFT) is used to evaluate the boundary integrals for low O(n) memory demand when an iterative solution algorithm is used. By virtue of the finite element method, the algorithm is applicable to structures of arbitrary material composition. Several improvements to the two dimensional algorithm are also described. These include: (1) modifications for terminating the mesh at circular boundaries without distorting the convolutionality of the boundary integrals; (2) the development of nonproprietary mesh generation routines for two dimensional applications; (3) the development of preprocessors for interfacing SDRC IDEAS with the main algorithm; and (4) the development of post-processing algorithms based on the public domain package GRAFIC to generate two and three dimensional gray level and color field maps.

Task reports on developing techniques for scattering by 3D composite structures and to generate new solutions in diffraction theory using higher order boundary conditions

NASA Technical Reports Server (NTRS)

Volakis, John L.

1990-01-01

There are two tasks described in this report. First, an extension of a two dimensional formulation is presented for a three dimensional body of revolution. With the introduction of a Fourier expansion of the vector electric and magnetic fields, a coupled two dimensional system is generated and solved via the finite element method. An exact boundary condition is employed to terminate the mesh and the fast fourier transformation is used to evaluate the boundary integrals for low O(n) memory demand when an iterative solution algorithm is used. Second, the diffraction by a material discontinuity in a thick dielectric/ferrite layer is considered by modeling the layer as a distributed current sheet obeying generalized sheet transition conditions (GSTC's).

Two-dimensional radiative transfer. I - Planar geometry. [in stellar atmospheres

NASA Technical Reports Server (NTRS)

Mihalas, D.; Auer, L. H.; Mihalas, B. R.

1978-01-01

Differential-equation methods for solving the transfer equation in two-dimensional planar geometries are developed. One method, which uses a Hermitian integration formula on ray segments through grid points, proves to be extremely well suited to velocity-dependent problems. An efficient elimination scheme is developed for which the computing time scales linearly with the number of angles and frequencies; problems with large velocity amplitudes can thus be treated accurately. A very accurate and efficient method for performing a formal solution is also presented. A discussion is given of several examples of periodic media and free-standing slabs, both in static cases and with velocity fields. For the free-standing slabs, two-dimensional transport effects are significant near boundaries, but no important effects were found in any of the periodic cases studied.

Cosmology in one dimension: Vlasov dynamics.

PubMed

Manfredi, Giovanni; Rouet, Jean-Louis; Miller, Bruce; Shiozawa, Yui

2016-04-01

Numerical simulations of self-gravitating systems are generally based on N-body codes, which solve the equations of motion of a large number of interacting particles. This approach suffers from poor statistical sampling in regions of low density. In contrast, Vlasov codes, by meshing the entire phase space, can reach higher accuracy irrespective of the density. Here, we perform one-dimensional Vlasov simulations of a long-standing cosmological problem, namely, the fractal properties of an expanding Einstein-de Sitter universe in Newtonian gravity. The N-body results are confirmed for high-density regions and extended to regions of low matter density, where the N-body approach usually fails.

Aerodynamic Shape Sensitivity Analysis and Design Optimization of Complex Configurations Using Unstructured Grids

NASA Technical Reports Server (NTRS)

Taylor, Arthur C., III; Newman, James C., III; Barnwell, Richard W.

1997-01-01

A three-dimensional unstructured grid approach to aerodynamic shape sensitivity analysis and design optimization has been developed and is extended to model geometrically complex configurations. The advantage of unstructured grids (when compared with a structured-grid approach) is their inherent ability to discretize irregularly shaped domains with greater efficiency and less effort. Hence, this approach is ideally suited for geometrically complex configurations of practical interest. In this work the nonlinear Euler equations are solved using an upwind, cell-centered, finite-volume scheme. The discrete, linearized systems which result from this scheme are solved iteratively by a preconditioned conjugate-gradient-like algorithm known as GMRES for the two-dimensional geometry and a Gauss-Seidel algorithm for the three-dimensional; similar procedures are used to solve the accompanying linear aerodynamic sensitivity equations in incremental iterative form. As shown, this particular form of the sensitivity equation makes large-scale gradient-based aerodynamic optimization possible by taking advantage of memory efficient methods to construct exact Jacobian matrix-vector products. Simple parameterization techniques are utilized for demonstrative purposes. Once the surface has been deformed, the unstructured grid is adapted by considering the mesh as a system of interconnected springs. Grid sensitivities are obtained by differentiating the surface parameterization and the grid adaptation algorithms with ADIFOR (which is an advanced automatic-differentiation software tool). To demonstrate the ability of this procedure to analyze and design complex configurations of practical interest, the sensitivity analysis and shape optimization has been performed for a two-dimensional high-lift multielement airfoil and for a three-dimensional Boeing 747-200 aircraft.

Surface operators, chiral rings and localization in N =2 gauge theories

NASA Astrophysics Data System (ADS)

Ashok, S. K.; Billò, M.; Dell'Aquila, E.; Frau, M.; Gupta, V.; John, R. R.; Lerda, A.

2017-11-01

We study half-BPS surface operators in supersymmetric gauge theories in four and five dimensions following two different approaches. In the first approach we analyze the chiral ring equations for certain quiver theories in two and three dimensions, coupled respectively to four- and five-dimensional gauge theories. The chiral ring equations, which arise from extremizing a twisted chiral superpotential, are solved as power series in the infrared scales of the quiver theories. In the second approach we use equivariant localization and obtain the twisted chiral superpotential as a function of the Coulomb moduli of the four- and five-dimensional gauge theories, and find a perfect match with the results obtained from the chiral ring equations. In the five-dimensional case this match is achieved after solving a number of subtleties in the localization formulas which amounts to choosing a particular residue prescription in the integrals that yield the Nekrasov-like partition functions for ramified instantons. We also comment on the necessity of including Chern-Simons terms in order to match the superpotentials obtained from dual quiver descriptions of a given surface operator.

Large-scale hydropower system optimization using dynamic programming and object-oriented programming: the case of the Northeast China Power Grid.

PubMed

Li, Ji-Qing; Zhang, Yu-Shan; Ji, Chang-Ming; Wang, Ai-Jing; Lund, Jay R

2013-01-01

This paper examines long-term optimal operation using dynamic programming for a large hydropower system of 10 reservoirs in Northeast China. Besides considering flow and hydraulic head, the optimization explicitly includes time-varying electricity market prices to maximize benefit. Two techniques are used to reduce the 'curse of dimensionality' of dynamic programming with many reservoirs. Discrete differential dynamic programming (DDDP) reduces the search space and computer memory needed. Object-oriented programming (OOP) and the ability to dynamically allocate and release memory with the C++ language greatly reduces the cumulative effect of computer memory for solving multi-dimensional dynamic programming models. The case study shows that the model can reduce the 'curse of dimensionality' and achieve satisfactory results.

Entanglement Entropy in Two-Dimensional String Theory.

PubMed

Hartnoll, Sean A; Mazenc, Edward A

2015-09-18

To understand an emergent spacetime is to understand the emergence of locality. Entanglement entropy is a powerful diagnostic of locality, because locality leads to a large amount of short distance entanglement. Two-dimensional string theory is among the very simplest instances of an emergent spatial dimension. We compute the entanglement entropy in the large-N matrix quantum mechanics dual to two-dimensional string theory in the semiclassical limit of weak string coupling. We isolate a logarithmically large, but finite, contribution that corresponds to the short distance entanglement of the tachyon field in the emergent spacetime. From the spacetime point of view, the entanglement is regulated by a nonperturbative "graininess" of space.

Solar-energy conversion and light emission in an atomic monolayer p-n diode.

PubMed

Pospischil, Andreas; Furchi, Marco M; Mueller, Thomas

2014-04-01

The limitations of the bulk semiconductors currently used in electronic devices-rigidity, heavy weight and high costs--have recently shifted the research efforts to two-dimensional atomic crystals such as graphene and atomically thin transition-metal dichalcogenides. These materials have the potential to be produced at low cost and in large areas, while maintaining high material quality. These properties, as well as their flexibility, make two-dimensional atomic crystals attractive for applications such as solar cells or display panels. The basic building blocks of optoelectronic devices are p-n junction diodes, but they have not yet been demonstrated in a two-dimensional material. Here, we report a p-n junction diode based on an electrostatically doped tungsten diselenide (WSe2) monolayer. We present applications as a photovoltaic solar cell, a photodiode and a light-emitting diode, and obtain light-power conversion and electroluminescence efficiencies of ∼ 0.5% and ∼ 0.1%, respectively. Given recent advances in the large-scale production of two-dimensional crystals, we expect them to profoundly impact future developments in solar, lighting and display technologies.

A three-dimensional Dirichlet-to-Neumann operator for water waves over topography

NASA Astrophysics Data System (ADS)

Andrade, D.; Nachbin, A.

2018-06-01

Surface water waves are considered propagating over highly variable non-smooth topographies. For this three dimensional problem a Dirichlet-to-Neumann (DtN) operator is constructed reducing the numerical modeling and evolution to the two dimensional free surface. The corresponding Fourier-type operator is defined through a matrix decomposition. The topographic component of the decomposition requires special care and a Galerkin method is provided accordingly. One dimensional numerical simulations, along the free surface, validate the DtN formulation in the presence of a large amplitude, rapidly varying topography. An alternative, conformal mapping based, method is used for benchmarking. A two dimensional simulation in the presence of a Luneburg lens (a particular submerged mound) illustrates the accurate performance of the three dimensional DtN operator.

Fourier's law for quasi-one-dimensional chaotic quantum systems

NASA Astrophysics Data System (ADS)

Seligman, Thomas H.; Weidenmüller, Hans A.

2011-05-01

We derive Fourier's law for a completely coherent quasi-one-dimensional chaotic quantum system coupled locally to two heat baths at different temperatures. We solve the master equation to first order in the temperature difference. We show that the heat conductance can be expressed as a thermodynamic equilibrium coefficient taken at some intermediate temperature. We use that expression to show that for temperatures large compared to the mean level spacing of the system, the heat conductance is inversely proportional to the level density and, thus, inversely proportional to the length of the system.

Applications of an exponential finite difference technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Handschuh, R.F.; Keith, T.G. Jr.

1988-07-01

An exponential finite difference scheme first presented by Bhattacharya for one dimensional unsteady heat conduction problems in Cartesian coordinates was extended. The finite difference algorithm developed was used to solve the unsteady diffusion equation in one dimensional cylindrical coordinates and was applied to two and three dimensional conduction problems in Cartesian coordinates. Heat conduction involving variable thermal conductivity was also investigated. The method was used to solve nonlinear partial differential equations in one and two dimensional Cartesian coordinates. Predicted results are compared to exact solutions where available or to results obtained by other numerical methods.

Semiclassical magnetotransport in strongly spin-orbit coupled Rashba two-dimensional electron systems.

PubMed

Xiao, Cong; Li, Dingping

2016-06-15

Semiclassical magnetoelectric and magnetothermoelectric transport in strongly spin-orbit coupled Rashba two-dimensional electron systems is investigated. In the presence of a perpendicular classically weak magnetic field and short-range impurity scattering, we solve the linearized Boltzmann equation self-consistently. Using the solution, it is found that when Fermi energy E F locates below the band crossing point (BCP), the Hall coefficient is a nonmonotonic function of electron density n e and not inversely proportional to n e. While the magnetoresistance (MR) and Nernst coefficient vanish when E F locates above the BCP, non-zero MR and enhanced Nernst coefficient emerge when E F decreases below the BCP. Both of them are nonmonotonic functions of E F below the BCP. The different semiclassical magnetotransport behaviors between the two sides of the BCP can be helpful to experimental identifications of the band valley regime and topological change of Fermi surface in considered systems.

Semiclassical magnetotransport in strongly spin-orbit coupled Rashba two-dimensional electron systems

NASA Astrophysics Data System (ADS)

Xiao, Cong; Li, Dingping

2016-06-01

Semiclassical magnetoelectric and magnetothermoelectric transport in strongly spin-orbit coupled Rashba two-dimensional electron systems is investigated. In the presence of a perpendicular classically weak magnetic field and short-range impurity scattering, we solve the linearized Boltzmann equation self-consistently. Using the solution, it is found that when Fermi energy E F locates below the band crossing point (BCP), the Hall coefficient is a nonmonotonic function of electron density n e and not inversely proportional to n e. While the magnetoresistance (MR) and Nernst coefficient vanish when E F locates above the BCP, non-zero MR and enhanced Nernst coefficient emerge when E F decreases below the BCP. Both of them are nonmonotonic functions of E F below the BCP. The different semiclassical magnetotransport behaviors between the two sides of the BCP can be helpful to experimental identifications of the band valley regime and topological change of Fermi surface in considered systems.

Log-rise of the resistivity in the holographic Kondo model

NASA Astrophysics Data System (ADS)

Padhi, Bikash; Tiwari, Apoorv; Setty, Chandan; Phillips, Philip W.

2018-03-01

We study a single-channel Kondo effect using a recently developed [1-4] holographic large-N technique. In order to obtain resistivity of this model, we introduce a probe field. The gravity dual of a localized fermionic impurity in 1 +1 -dimensional host matter is constructed by embedding a localized two-dimensional Anti-de Sitter (AdS2 )-brane in the bulk of three-dimensional AdS3 . This helps us construct an impurity charge density which acts as a source to the bulk equation of motion of the probe gauge field. The functional form of the charge density is obtained independently by solving the equations of motion for the fields confined to the AdS2 -brane. The asymptotic solution of the probe field is dictated by the impurity charge density, which in turn affects the current-current correlation functions and hence the resistivity. Our choice of parameters tunes the near-boundary impurity current to be marginal, resulting in a log T behavior in the UV resistivity, as is expected for the Kondo problem. The resistivity at the IR fixed point turns out to be zero, signaling a complete screening of the impurity.

Contrasting SYK-like models

NASA Astrophysics Data System (ADS)

Krishnan, Chethan; Pavan Kumar, K. V.; Rosa, Dario

2018-01-01

We contrast some aspects of various SYK-like models with large- N melonic behavior. First, we note that ungauged tensor models can exhibit symmetry breaking, even though these are 0+1 dimensional theories. Related to this, we show that when gauged, some of them admit no singlets, and are anomalous. The uncolored Majorana tensor model with even N is a simple case where gauge singlets can exist in the spectrum. We outline a strategy for solving for the singlet spectrum, taking advantage of the results in arXiv:1706.05364, and reproduce the singlet states expected in N = 2. In the second part of the paper, we contrast the random matrix aspects of some ungauged tensor models, the original SYK model, and a model due to Gross and Rosenhaus. The latter, even though disorder averaged, shows parallels with the Gurau-Witten model. In particular, the two models fall into identical Andreev ensembles as a function of N . In an appendix, we contrast the (expected) spectra of AdS2 quantum gravity, SYK and SYK-like tensor models, and the zeros of the Riemann Zeta function.

Exact results in the large system size limit for the dynamics of the chemical master equation, a one dimensional chain of equations.

PubMed

Martirosyan, A; Saakian, David B

2011-08-01

We apply the Hamilton-Jacobi equation (HJE) formalism to solve the dynamics of the chemical master equation (CME). We found exact analytical expressions (in large system-size limit) for the probability distribution, including explicit expression for the dynamics of variance of distribution. We also give the solution for some simple cases of the model with time-dependent rates. We derived the results of the Van Kampen method from the HJE approach using a special ansatz. Using the Van Kampen method, we give a system of ordinary differential equations (ODEs) to define the variance in a two-dimensional case. We performed numerics for the CME with stationary noise. We give analytical criteria for the disappearance of bistability in the case of stationary noise in one-dimensional CMEs.

Relativistic Eulerian Vlasov simulations of the amplification of seed pulses by Brillouin backscattering in plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shoucri, M., E-mail: Shoucri.Magdi@ireq.ca; Matte, J.-P.; Vidal, F.

We apply an Eulerian Vlasov code to study the amplification by Brillouin scattering of a short seed laser pulse by a long pump laser pulse in an underdense plasma. The stimulated Brillouin backscattering interaction is the coupling of the pump and seed electromagnetic waves propagating in opposite directions, and the ion plasma wave. The code solves the one-dimensional relativistic Vlasov-Maxwell set of equations. Large amplitude ion waves are generated. In the simulations we present, the density plateau of the plasma is n{sub e}=0.3 n{sub c} (n{sub c} is the critical density), which excludes spurious stimulated Raman scattering amplification (which can occurmore » only if n{sub e}« less

Uniform electron gases. III. Low-density gases on three-dimensional spheres.

PubMed

Agboola, Davids; Knol, Anneke L; Gill, Peter M W; Loos, Pierre-François

2015-08-28

By combining variational Monte Carlo (VMC) and complete-basis-set limit Hartree-Fock (HF) calculations, we have obtained near-exact correlation energies for low-density same-spin electrons on a three-dimensional sphere (3-sphere), i.e., the surface of a four-dimensional ball. In the VMC calculations, we compare the efficacies of two types of one-electron basis functions for these strongly correlated systems and analyze the energy convergence with respect to the quality of the Jastrow factor. The HF calculations employ spherical Gaussian functions (SGFs) which are the curved-space analogs of Cartesian Gaussian functions. At low densities, the electrons become relatively localized into Wigner crystals, and the natural SGF centers are found by solving the Thomson problem (i.e., the minimum-energy arrangement of n point charges) on the 3-sphere for various values of n. We have found 11 special values of n whose Thomson sites are equivalent. Three of these are the vertices of four-dimensional Platonic solids - the hyper-tetrahedron (n = 5), the hyper-octahedron (n = 8), and the 24-cell (n = 24) - and a fourth is a highly symmetric structure (n = 13) which has not previously been reported. By calculating the harmonic frequencies of the electrons around their equilibrium positions, we also find the first-order vibrational corrections to the Thomson energy.

The two-phase method for finding a great number of eigenpairs of the symmetric or weakly non-symmetric large eigenvalue problems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dul, F.A.; Arczewski, K.

1994-03-01

Although it has been stated that [open quotes]an attempt to solve (very large problems) by subspace iterations seems futile[close quotes], we will show that the statement is not true, especially for extremely large eigenproblems. In this paper a new two-phase subspace iteration/Rayleigh quotient/conjugate gradient method for generalized, large, symmetric eigenproblems Ax = [lambda]Bx is presented. It has the ability of solving extremely large eigenproblems, N = 216,000, for example, and finding a large number of leftmost or rightmost eigenpairs, up to 1000 or more. Multiple eigenpairs, even those with multiplicity 100, can be easily found. The use of the proposedmore » method for solving the big full eigenproblems (N [approximately] 10[sup 3]), as well as for large weakly non-symmetric eigenproblems, have been considered also. The proposed method is fully iterative; thus the factorization of matrices ins avoided. The key idea consists in joining two methods: subspace and Rayleigh quotient iterations. The systems of indefinite and almost singular linear equations (a - [sigma]B)x = By are solved by various iterative conjugate gradient method can be used without danger of breaking down due to its property that may be called [open quotes]self-correction towards the eigenvector,[close quotes] discovered recently by us. The use of various preconditioners (SSOR and IC) has also been considered. The main features of the proposed method have been analyzed in detail. Comparisons with other methods, such as, accelerated subspace iteration, Lanczos, Davidson, TLIME, TRACMN, and SRQMCG, are presented. The results of numerical tests for various physical problems (acoustic, vibrations of structures, quantum chemistry) are presented as well. 40 refs., 12 figs., 2 tabs.« less

Wave-induced response of a floating two-dimensional body with a moonpool

PubMed Central

Fredriksen, Arnt G.; Kristiansen, Trygve; Faltinsen, Odd M.

2015-01-01

Regular wave-induced behaviour of a floating stationary two-dimensional body with a moonpool is studied. The focus is on resonant piston-mode motion in the moonpool and rigid-body motions. Dedicated two-dimensional experiments have been performed. Two numerical hybrid methods, which have previously been applied to related problems, are further developed. Both numerical methods couple potential and viscous flow. The semi-nonlinear hybrid method uses linear free-surface and body-boundary conditions. The other one uses fully nonlinear free-surface and body-boundary conditions. The harmonic polynomial cell method solves the Laplace equation in the potential flow domain, while the finite volume method solves the Navier–Stokes equations in the viscous flow domain near the body. Results from the two codes are compared with the experimental data. The nonlinear hybrid method compares well with the data, while certain discrepancies are observed for the semi-nonlinear method. In particular, the roll motion is over-predicted by the semi-nonlinear hybrid method. Error sources in the semi-nonlinear hybrid method are discussed. The moonpool strongly affects heave motions in a frequency range around the piston-mode resonance frequency of the moonpool. No resonant water motions occur in the moonpool at the piston-mode resonance frequency. Instead large moonpool motions occur at a heave natural frequency associated with small damping near the piston-mode resonance frequency. PMID:25512594

Deconfinement in Yang-Mills Theory through Toroidal Compactification

DOE Office of Scientific and Technical Information (OSTI.GOV)

Simic, Dusan; Unsal, Mithat; /Stanford U., Phys. Dept. /SLAC

2011-08-12

We introduce field theory techniques through which the deconfinement transition of four-dimensional Yang-Mills theory can be moved to a semi-classical domain where it becomes calculable using two-dimensional field theory. We achieve this through a double-trace deformation of toroidally compactified Yang-Mills theory on R{sup 2} x S{sub L}{sup 1} x S{sub {beta}}{sup 1}. At large N, fixed-L, and arbitrary {beta}, the thermodynamics of the deformed theory is equivalent to that of ordinary Yang-Mills theory at leading order in the large N expansion. At fixed-N, small L and a range of {beta}, the deformed theory maps to a two-dimensional theory with electricmore » and magnetic (order and disorder) perturbations, analogs of which appear in planar spin-systems and statistical physics. We show that in this regime the deconfinement transition is driven by the competition between electric and magnetic perturbations in this two-dimensional theory. This appears to support the scenario proposed by Liao and Shuryak regarding the magnetic component of the quark-gluon plasma at RHIC.« less

Three-dimensional finite element analysis for high velocity impact. [of projectiles from space debris

NASA Technical Reports Server (NTRS)

Chan, S. T. K.; Lee, C. H.; Brashears, M. R.

1975-01-01

A finite element algorithm for solving unsteady, three-dimensional high velocity impact problems is presented. A computer program was developed based on the Eulerian hydroelasto-viscoplastic formulation and the utilization of the theorem of weak solutions. The equations solved consist of conservation of mass, momentum, and energy, equation of state, and appropriate constitutive equations. The solution technique is a time-dependent finite element analysis utilizing three-dimensional isoparametric elements, in conjunction with a generalized two-step time integration scheme. The developed code was demonstrated by solving one-dimensional as well as three-dimensional impact problems for both the inviscid hydrodynamic model and the hydroelasto-viscoplastic model.

The program FANS-3D (finite analytic numerical simulation 3-dimensional) and its applications

NASA Technical Reports Server (NTRS)

Bravo, Ramiro H.; Chen, Ching-Jen

1992-01-01

In this study, the program named FANS-3D (Finite Analytic Numerical Simulation-3 Dimensional) is presented. FANS-3D was designed to solve problems of incompressible fluid flow and combined modes of heat transfer. It solves problems with conduction and convection modes of heat transfer in laminar flow, with provisions for radiation and turbulent flows. It can solve singular or conjugate modes of heat transfer. It also solves problems in natural convection, using the Boussinesq approximation. FANS-3D was designed to solve heat transfer problems inside one, two and three dimensional geometries that can be represented by orthogonal planes in a Cartesian coordinate system. It can solve internal and external flows using appropriate boundary conditions such as symmetric, periodic and user specified.

Inference of Vohradský's Models of Genetic Networks by Solving Two-Dimensional Function Optimization Problems

PubMed Central

Kimura, Shuhei; Sato, Masanao; Okada-Hatakeyama, Mariko

2013-01-01

The inference of a genetic network is a problem in which mutual interactions among genes are inferred from time-series of gene expression levels. While a number of models have been proposed to describe genetic networks, this study focuses on a mathematical model proposed by Vohradský. Because of its advantageous features, several researchers have proposed the inference methods based on Vohradský's model. When trying to analyze large-scale networks consisting of dozens of genes, however, these methods must solve high-dimensional non-linear function optimization problems. In order to resolve the difficulty of estimating the parameters of the Vohradský's model, this study proposes a new method that defines the problem as several two-dimensional function optimization problems. Through numerical experiments on artificial genetic network inference problems, we showed that, although the computation time of the proposed method is not the shortest, the method has the ability to estimate parameters of Vohradský's models more effectively with sufficiently short computation times. This study then applied the proposed method to an actual inference problem of the bacterial SOS DNA repair system, and succeeded in finding several reasonable regulations. PMID:24386175

Results and Implications of a Problem-Solving Treatment Program for Obesity.

ERIC Educational Resources Information Center

Mahoney, B. K.; And Others

Data are from a large scale experimental study which was designed to evaluate a multimethod problem solving approach to obesity. Obese adult volunteers (N=90) were randomly assigned to three groups: maximal treatment, minimal treatment, and no treatment control. In the two treatment groups, subjects were exposed to bibliographic material and…

Quantitative analysis of voids in percolating structures in two-dimensional N-body simulations

NASA Technical Reports Server (NTRS)

Harrington, Patrick M.; Melott, Adrian L.; Shandarin, Sergei F.

1993-01-01

We present in this paper a quantitative method for defining void size in large-scale structure based on percolation threshold density. Beginning with two-dimensional gravitational clustering simulations smoothed to the threshold of nonlinearity, we perform percolation analysis to determine the large scale structure. The resulting objective definition of voids has a natural scaling property, is topologically interesting, and can be applied immediately to redshift surveys.

Review of literature on the finite-element solution of the equations of two-dimensional surface-water flow in the horizontal plane

USGS Publications Warehouse

Lee, Jonathan K.; Froehlich, David C.

1987-01-01

Published literature on the application of the finite-element method to solving the equations of two-dimensional surface-water flow in the horizontal plane is reviewed in this report. The finite-element method is ideally suited to modeling two-dimensional flow over complex topography with spatially variable resistance. A two-dimensional finite-element surface-water flow model with depth and vertically averaged velocity components as dependent variables allows the user great flexibility in defining geometric features such as the boundaries of a water body, channels, islands, dikes, and embankments. The following topics are reviewed in this report: alternative formulations of the equations of two-dimensional surface-water flow in the horizontal plane; basic concepts of the finite-element method; discretization of the flow domain and representation of the dependent flow variables; treatment of boundary conditions; discretization of the time domain; methods for modeling bottom, surface, and lateral stresses; approaches to solving systems of nonlinear equations; techniques for solving systems of linear equations; finite-element alternatives to Galerkin's method of weighted residuals; techniques of model validation; and preparation of model input data. References are listed in the final chapter.

Fully three-dimensional direct numerical simulation of a plunging breaker

NASA Astrophysics Data System (ADS)

Lubin, Pierre; Vincent, Stéphane; Caltagirone, Jean-Paul; Abadie, Stéphane

2003-07-01

The scope of this paper is to show the results obtained for simulating three-dimensional breaking waves by solving the Navier-Stokes equations in air and water. The interface tracking is achieved by a Lax-Wendroff TVD scheme (Total Variation Diminishing), which is able to handle interface reconnections. We first present the equations and the numerical methods used in this work. We then proceed to the study of a three-dimensional plunging breaking wave, using initial conditions corresponding to unstable periodic sinusoidal waves of large amplitudes. We compare the results obtained for two simulations, a longshore depth perturbation has been introduced in the solution of the flow equations in order to see the transition from a two-dimensional velocity field to a fully three-dimensional one after plunging. Breaking processes including overturning, splash-up and breaking induced vortex-like motion beneath the surface are presented and discussed. To cite this article: P. Lubin et al., C. R. Mecanique 331 (2003).

N-Dimensional LLL Reduction Algorithm with Pivoted Reflection

PubMed Central

Deng, Zhongliang; Zhu, Di

2018-01-01

The Lenstra-Lenstra-Lovász (LLL) lattice reduction algorithm and many of its variants have been widely used by cryptography, multiple-input-multiple-output (MIMO) communication systems and carrier phase positioning in global navigation satellite system (GNSS) to solve the integer least squares (ILS) problem. In this paper, we propose an n-dimensional LLL reduction algorithm (n-LLL), expanding the Lovász condition in LLL algorithm to n-dimensional space in order to obtain a further reduced basis. We also introduce pivoted Householder reflection into the algorithm to optimize the reduction time. For an m-order positive definite matrix, analysis shows that the n-LLL reduction algorithm will converge within finite steps and always produce better results than the original LLL reduction algorithm with n > 2. The simulations clearly prove that n-LLL is better than the original LLL in reducing the condition number of an ill-conditioned input matrix with 39% improvement on average for typical cases, which can significantly reduce the searching space for solving ILS problem. The simulation results also show that the pivoted reflection has significantly declined the number of swaps in the algorithm by 57%, making n-LLL a more practical reduction algorithm. PMID:29351224

An efficient closed-form solution for acoustic emission source location in three-dimensional structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Xibing; Dong, Longjun, E-mail: csudlj@163.com; Australian Centre for Geomechanics, The University of Western Australia, Crawley, 6009

This paper presents an efficient closed-form solution (ECS) for acoustic emission(AE) source location in three-dimensional structures using time difference of arrival (TDOA) measurements from N receivers, N ≥ 6. The nonlinear location equations of TDOA are simplified to linear equations. The unique analytical solution of AE sources for unknown velocity system is obtained by solving the linear equations. The proposed ECS method successfully solved the problems of location errors resulting from measured deviations of velocity as well as the existence and multiplicity of solutions induced by calculations of square roots in existed close-form methods.

Solution of elliptic PDEs by fast Poisson solvers using a local relaxation factor

NASA Technical Reports Server (NTRS)

Chang, Sin-Chung

1986-01-01

A large class of two- and three-dimensional, nonseparable elliptic partial differential equations (PDEs) is presently solved by means of novel one-step (D'Yakanov-Gunn) and two-step (accelerated one-step) iterative procedures, using a local, discrete Fourier analysis. In addition to being easily implemented and applicable to a variety of boundary conditions, these procedures are found to be computationally efficient on the basis of the results of numerical comparison with other established methods, which lack the present one's: (1) insensitivity to grid cell size and aspect ratio, and (2) ease of convergence rate estimation by means of the coefficient of the PDE being solved. The two-step procedure is numerically demonstrated to outperform the one-step procedure in the case of PDEs with variable coefficients.

Effects of Magnetic field on Peristalsis transport of a Carreau Fluid in a tapered asymmetric channel

NASA Astrophysics Data System (ADS)

Prakash, J.; Balaji, N.; Siva, E. P.; Kothandapani, M.; Govindarajan, A.

2018-04-01

The paper is concerned with effects of a uniform applied magnetic field on a Carreau fluid flow in a tapered asymmetric channel with peristalsis. The channel non-uniform & asymmetry are formed by choosing the peristaltic wave train on the tapered walls to have different amplitude and phase (ϕ). The governing equations of the Carreau model in two - dimensional peristaltic flow phenomena are constructed under assumptions of long wave length and low Reynolds number approximations. The simplified non - linear governing equations are solved by regular perturbation method. The expressions for pressure rise, frictional force, velocity and stream function are determined and the effects of different parameters like non-dimensional amplitudes walls (a and b), non - uniform parameter (m), Hartmann number (M), phase difference (ϕ),power law index (n) and Weissenberg numbers (We) on the flow characteristics are discussed. It is viewed that the rheological parameter for large (We), the curves of the pressure rise are not linear but it behaves like a Newtonian fluid for very small Weissenberg number.

Multi-GPU Accelerated Admittance Method for High-Resolution Human Exposure Evaluation.

PubMed

Xiong, Zubiao; Feng, Shi; Kautz, Richard; Chandra, Sandeep; Altunyurt, Nevin; Chen, Ji

2015-12-01

A multi-graphics processing unit (GPU) accelerated admittance method solver is presented for solving the induced electric field in high-resolution anatomical models of human body when exposed to external low-frequency magnetic fields. In the solver, the anatomical model is discretized as a three-dimensional network of admittances. The conjugate orthogonal conjugate gradient (COCG) iterative algorithm is employed to take advantage of the symmetric property of the complex-valued linear system of equations. Compared against the widely used biconjugate gradient stabilized method, the COCG algorithm can reduce the solving time by 3.5 times and reduce the storage requirement by about 40%. The iterative algorithm is then accelerated further by using multiple NVIDIA GPUs. The computations and data transfers between GPUs are overlapped in time by using asynchronous concurrent execution design. The communication overhead is well hidden so that the acceleration is nearly linear with the number of GPU cards. Numerical examples show that our GPU implementation running on four NVIDIA Tesla K20c cards can reach 90 times faster than the CPU implementation running on eight CPU cores (two Intel Xeon E5-2603 processors). The implemented solver is able to solve large dimensional problems efficiently. A whole adult body discretized in 1-mm resolution can be solved in just several minutes. The high efficiency achieved makes it practical to investigate human exposure involving a large number of cases with a high resolution that meets the requirements of international dosimetry guidelines.

Three-dimensional modeling of n+-nu-n+ and p+-pi-p+ semiconducting devices for analog ULSI microelectronics

NASA Astrophysics Data System (ADS)

Gillet, Jean-Numa; Degorce, Jean-Yves; Belisle, Jonathan; Meunier, Michel

2004-03-01

Three-dimensional modeling of n^+-ν -n^+ and p^+-π -p^+ semiconducting devices for analog ULSI microelectronics Jean-Numa Gillet,^a,b Jean-Yves Degorce,^a Jonathan Bélisle^a and Michel Meunier.^a,c ^a École Polytechnique de Montréal, Dept. of Engineering Physics, CP 6079, Succ. Centre-vile, Montréal, Québec H3C 3A7, Canada. ^b Corresponding author. Email: Jean-Numa.Gillet@polymtl.ca ^c Also with LTRIM Technologies, 140-440, boul. A.-Frappier, Laval, Québec H7V 4B4, Canada. We present for the first time three-dimensional (3-D) modeling of n^+-ν -n^+ and p^+-π -p^+ semiconducting resistors, which are fabricated by laser-induced doping in a gateless MOSFET and present significant applications for analog ULSI microelectronics. Our modeling software is made up of three steps. The two first concerns modeling of a new laser-trimming fabrication process. With the molten-silicon temperature distribution obtained from the first, we compute in the second the 3-D dopant distribution, which creates the electrical link through the device gap. In this paper the emphasis is on the third step, which concerns 3-D modeling of the resistor electronic behavior with a new tube multiplexing algorithm (TMA). The device current-voltage (I-V) curve is usually obtained by solving three coupled partial differential equations with a finite-element method. A 3-D device as our resistor cannot be modeled with this classical method owing to its prohibitive computational cost in three dimensions. This problem is however avoided by our TMA, which divides the 3-D device into one-dimensional (1-D) multiplexed tubes. In our TMA 1-D systems of three ordinary differential equations are solved to determine the 3-D device I-V curve, which substantially increases computation speed compared with the classical method. Numerical results show a good agreement with experiments.

Solution of the two-dimensional spectral factorization problem

NASA Technical Reports Server (NTRS)

Lawton, W. M.

1985-01-01

An approximation theorem is proven which solves a classic problem in two-dimensional (2-D) filter theory. The theorem shows that any continuous two-dimensional spectrum can be uniformly approximated by the squared modulus of a recursively stable finite trigonometric polynomial supported on a nonsymmetric half-plane.

An exterior Poisson solver using fast direct methods and boundary integral equations with applications to nonlinear potential flow

NASA Technical Reports Server (NTRS)

Young, D. P.; Woo, A. C.; Bussoletti, J. E.; Johnson, F. T.

1986-01-01

A general method is developed combining fast direct methods and boundary integral equation methods to solve Poisson's equation on irregular exterior regions. The method requires O(N log N) operations where N is the number of grid points. Error estimates are given that hold for regions with corners and other boundary irregularities. Computational results are given in the context of computational aerodynamics for a two-dimensional lifting airfoil. Solutions of boundary integral equations for lifting and nonlifting aerodynamic configurations using preconditioned conjugate gradient are examined for varying degrees of thinness.

Classification Objects, Ideal Observers & Generative Models

ERIC Educational Resources Information Center

Olman, Cheryl; Kersten, Daniel

2004-01-01

A successful vision system must solve the problem of deriving geometrical information about three-dimensional objects from two-dimensional photometric input. The human visual system solves this problem with remarkable efficiency, and one challenge in vision research is to understand how neural representations of objects are formed and what visual…

Experimental design for estimating unknown groundwater pumping using genetic algorithm and reduced order model

NASA Astrophysics Data System (ADS)

Ushijima, Timothy T.; Yeh, William W.-G.

2013-10-01

An optimal experimental design algorithm is developed to select locations for a network of observation wells that provide maximum information about unknown groundwater pumping in a confined, anisotropic aquifer. The design uses a maximal information criterion that chooses, among competing designs, the design that maximizes the sum of squared sensitivities while conforming to specified design constraints. The formulated optimization problem is non-convex and contains integer variables necessitating a combinatorial search. Given a realistic large-scale model, the size of the combinatorial search required can make the problem difficult, if not impossible, to solve using traditional mathematical programming techniques. Genetic algorithms (GAs) can be used to perform the global search; however, because a GA requires a large number of calls to a groundwater model, the formulated optimization problem still may be infeasible to solve. As a result, proper orthogonal decomposition (POD) is applied to the groundwater model to reduce its dimensionality. Then, the information matrix in the full model space can be searched without solving the full model. Results from a small-scale test case show identical optimal solutions among the GA, integer programming, and exhaustive search methods. This demonstrates the GA's ability to determine the optimal solution. In addition, the results show that a GA with POD model reduction is several orders of magnitude faster in finding the optimal solution than a GA using the full model. The proposed experimental design algorithm is applied to a realistic, two-dimensional, large-scale groundwater problem. The GA converged to a solution for this large-scale problem.

A numerical formulation and algorithm for limit and shakedown analysis of large-scale elastoplastic structures

NASA Astrophysics Data System (ADS)

Peng, Heng; Liu, Yinghua; Chen, Haofeng

2018-05-01

In this paper, a novel direct method called the stress compensation method (SCM) is proposed for limit and shakedown analysis of large-scale elastoplastic structures. Without needing to solve the specific mathematical programming problem, the SCM is a two-level iterative procedure based on a sequence of linear elastic finite element solutions where the global stiffness matrix is decomposed only once. In the inner loop, the static admissible residual stress field for shakedown analysis is constructed. In the outer loop, a series of decreasing load multipliers are updated to approach to the shakedown limit multiplier by using an efficient and robust iteration control technique, where the static shakedown theorem is adopted. Three numerical examples up to about 140,000 finite element nodes confirm the applicability and efficiency of this method for two-dimensional and three-dimensional elastoplastic structures, with detailed discussions on the convergence and the accuracy of the proposed algorithm.

An adaptively refined phase-space element method for cosmological simulations and collisionless dynamics

NASA Astrophysics Data System (ADS)

Hahn, Oliver; Angulo, Raul E.

2016-01-01

N-body simulations are essential for understanding the formation and evolution of structure in the Universe. However, the discrete nature of these simulations affects their accuracy when modelling collisionless systems. We introduce a new approach to simulate the gravitational evolution of cold collisionless fluids by solving the Vlasov-Poisson equations in terms of adaptively refineable `Lagrangian phase-space elements'. These geometrical elements are piecewise smooth maps between Lagrangian space and Eulerian phase-space and approximate the continuum structure of the distribution function. They allow for dynamical adaptive splitting to accurately follow the evolution even in regions of very strong mixing. We discuss in detail various one-, two- and three-dimensional test problems to demonstrate the performance of our method. Its advantages compared to N-body algorithms are: (I) explicit tracking of the fine-grained distribution function, (II) natural representation of caustics, (III) intrinsically smooth gravitational potential fields, thus (IV) eliminating the need for any type of ad hoc force softening. We show the potential of our method by simulating structure formation in a warm dark matter scenario. We discuss how spurious collisionality and large-scale discreteness noise of N-body methods are both strongly suppressed, which eliminates the artificial fragmentation of filaments. Therefore, we argue that our new approach improves on the N-body method when simulating self-gravitating cold and collisionless fluids, and is the first method that allows us to explicitly follow the fine-grained evolution in six-dimensional phase-space.

The relationship between two-dimensional self-esteem and problem solving style in an anorexic inpatient sample.

PubMed

Paterson, Gillian; Power, Kevin; Yellowlees, Alex; Park, Katy; Taylor, Louise

2007-01-01

Research examining cognitive and behavioural determinants of anorexia is currently lacking. This has implications for the success of treatment programmes for anorexics, particularly, given the high reported dropout rates. This study examines two-dimensional self-esteem (comprising of self-competence and self-liking) and social problem-solving in an anorexic population and predicts that self-esteem will mediate the relationship between problem-solving and eating pathology by facilitating/inhibiting use of faulty/effective strategies. Twenty-seven anorexic inpatients and 62 controls completed measures of social problem solving and two-dimensional self-esteem. Anorexics scored significantly higher than the non-clinical group on measures of eating pathology, negative problem orientation, impulsivity/carelessness and avoidance and significantly lower on positive problem orientation and both self-esteem components. In the clinical sample, disordered eating correlated significantly with self-competence, negative problem-orientation and avoidance. Associations between disordered eating and problem solving lost significance when self-esteem was controlled in the clinical group only. Self-competence was found to be the main predictor of eating pathology in the clinical sample while self-liking, impulsivity and negative and positive problem orientation were main predictors in the non-clinical sample. Findings support the two-dimensional self-esteem theory with self-competence only being relevant to the anorexic population and support the hypothesis that self-esteem mediates the relationship between disordered eating and problem solving ability in an anorexic sample. Treatment implications include support for programmes emphasising increasing self-appraisal and self-efficacy. 2006 John Wiley & Sons, Ltd and Eating Disorders Association

Numerical Computation of Flame Spread over a Thin Solid in Forced Concurrent Flow with Gas-phase Radiation

NASA Technical Reports Server (NTRS)

Jiang, Ching-Biau; T'ien, James S.

1994-01-01

Excerpts from a paper describing the numerical examination of concurrent-flow flame spread over a thin solid in purely forced flow with gas-phase radiation are presented. The computational model solves the two-dimensional, elliptic, steady, and laminar conservation equations for mass, momentum, energy, and chemical species. Gas-phase combustion is modeled via a one-step, second order finite rate Arrhenius reaction. Gas-phase radiation considering gray non-scattering medium is solved by a S-N discrete ordinates method. A simplified solid phase treatment assumes a zeroth order pyrolysis relation and includes radiative interaction between the surface and the gas phase.

Numerical Methods for 2-Dimensional Modeling

DTIC Science & Technology

1980-12-01

high-order finite element methods, and a multidimensional version of the method of lines, both utilizing an optimized stiff integrator for the time...integration. The finite element methods have proved disappointing, but the method of lines has provided an unexpectedly large gain in speed. Two...diffusion problems with the same number of unknowns (a 21 x 41 grid), solved by second-order finite element methods, took over seven minutes on the Cray-i

Comparison of two- and three-dimensional Navier-Stokes solutions with NASA experimental data for CAST-10 airfoil

NASA Technical Reports Server (NTRS)

Swanson, R. Charles; Radespiel, Rolf; Mccormick, V. Edward

1989-01-01

The two-dimensional (2-D) and three-dimensional Navier-Stokes equations are solved for flow over a NAE CAST-10 airfoil model. Recently developed finite-volume codes that apply a multistage time stepping scheme in conjunction with steady state acceleration techniques are used to solve the equations. Two-dimensional results are shown for flow conditions uncorrected and corrected for wind tunnel wall interference effects. Predicted surface pressures from 3-D simulations are compared with those from 2-D calculations. The focus of the 3-D computations is the influence of the sidewall boundary layers. Topological features of the 3-D flow fields are indicated. Lift and drag results are compared with experimental measurements.

Uniform electron gases. III. Low-density gases on three-dimensional spheres

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agboola, Davids; Knol, Anneke L.; Gill, Peter M. W., E-mail: peter.gill@anu.edu.au

2015-08-28

By combining variational Monte Carlo (VMC) and complete-basis-set limit Hartree-Fock (HF) calculations, we have obtained near-exact correlation energies for low-density same-spin electrons on a three-dimensional sphere (3-sphere), i.e., the surface of a four-dimensional ball. In the VMC calculations, we compare the efficacies of two types of one-electron basis functions for these strongly correlated systems and analyze the energy convergence with respect to the quality of the Jastrow factor. The HF calculations employ spherical Gaussian functions (SGFs) which are the curved-space analogs of Cartesian Gaussian functions. At low densities, the electrons become relatively localized into Wigner crystals, and the natural SGFmore » centers are found by solving the Thomson problem (i.e., the minimum-energy arrangement of n point charges) on the 3-sphere for various values of n. We have found 11 special values of n whose Thomson sites are equivalent. Three of these are the vertices of four-dimensional Platonic solids — the hyper-tetrahedron (n = 5), the hyper-octahedron (n = 8), and the 24-cell (n = 24) — and a fourth is a highly symmetric structure (n = 13) which has not previously been reported. By calculating the harmonic frequencies of the electrons around their equilibrium positions, we also find the first-order vibrational corrections to the Thomson energy.« less

Supersonic N-Crowdions in a Two-Dimensional Morse Crystal

NASA Astrophysics Data System (ADS)

Dmitriev, S. V.; Korznikova, E. A.; Chetverikov, A. P.

2018-03-01

An interstitial atom placed in a close-packed atomic row of a crystal is called crowdion. Such defects are highly mobile; they can move along the row, transferring mass and energy. We generalize the concept of a classical supersonic crowdion to an N-crowdion in which not one but N atoms move simultaneously with a high velocity. Using molecular dynamics simulations for a close-packed two-dimensional Morse crystal, we show that N-crowdions transfer mass much more efficiently, because they are capable of covering large distances while having a lower total energy than that of a classical 1-crowdion.

Normal Modes of Magnetized Finite Two-Dimensional Yukawa Crystals

NASA Astrophysics Data System (ADS)

Marleau, Gabriel-Dominique; Kaehlert, Hanno; Bonitz, Michael

2009-11-01

The normal modes of a finite two-dimensional dusty plasma in an isotropic parabolic confinement, including the simultaneous effects of friction and an external magnetic field, are studied. The ground states are found from molecular dynamics simulations with simulated annealing, and the influence of screening, friction, and magnetic field on the mode frequencies is investigated in detail. The two-particle problem is solved analytically and the limiting cases of weak and strong magnetic fields are discussed.[4pt] [1] C. Henning, H. K"ahlert, P. Ludwig, A. Melzer, and M.Bonitz. J. Phys. A 42, 214023 (2009)[2] B. Farokhi, M. Shahmansouri, and P. K. Shukla. Phys.Plasmas 16, 063703 (2009)[3] L. Cândido, J.-P. Rino, N. Studart, and F. M. Peeters. J. Phys.: Condens. Matter 10, 11627--11644 (1998)

Scalar quantum chromodynamics in two dimensions and parton model. [Scalar quarks, SU(N) groups

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shei, S.S.; Tsao, H.S.

1977-05-01

The SU(N) scalar quantum chromodynamics in two space-time dimensions in the large N limit are studied. This is the model of color gauge fields interacting with scalar quarks. It is found that the consensual properties of the four dimensional QCD, i.e., the infrared slavery, quark confinement, the charmonium picture etc. are all realized. Moreover, the current in this model mimics nicely the behaviors of current in the four dimensional QCD, in contrast to the original model of 't Hooft.

Three ways to solve critical ϕ4 theory on 4 ‑ 𝜖 dimensional real projective space: Perturbation, bootstrap, and Schwinger-Dyson equation

NASA Astrophysics Data System (ADS)

Hasegawa, Chika; Nakayama, Yu

2018-03-01

In this paper, we solve the two-point function of the lowest dimensional scalar operator in the critical ϕ4 theory on 4 ‑ 𝜖 dimensional real projective space in three different methods. The first is to use the conventional perturbation theory, and the second is to impose the cross-cap bootstrap equation, and the third is to solve the Schwinger-Dyson equation under the assumption of conformal invariance. We find that the three methods lead to mutually consistent results but each has its own advantage.

Generalized Self-Doping Engineering towards Ultrathin and Large-Sized Two-Dimensional Homologous Perovskites.

PubMed

Chen, Junnian; Wang, Yaguang; Gan, Lin; He, Yunbin; Li, Huiqiao; Zhai, Tianyou

2017-11-20

Two-dimensional (2D) homologous perovskites are arousing intense interest in photovoltaics and light-emitting fields, attributing to significantly improved stability and increasing optoelectronic performance. However, investigations on 2D homologous perovskites with ultrathin thickness and large lateral dimension have been seldom reported, being mainly hindered by challenges in synthesis. A generalized self-doping directed synthesis of ultrathin 2D homologous (BA) 2 (MA) n-1 Pb n Br 3n+1 (1

Large-N solution of the heterotic CP(N-1) model with twisted masses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bolokhov, Pavel A.; Department of Physics and Astronomy, University of Victoria, Victoria, BC, V8P 1A1; Shifman, Mikhail

2010-07-15

We address a number of unanswered questions in the N=(0,2)-deformed CP(N-1) model with twisted masses. In particular, we complete the program of solving the CP(N-1) model with twisted masses in the large-N limit. In A. Gorsky, M. Shifman, and A. Yung, Phys. Rev. D 73, 065011 (2006), a nonsupersymmetric version of the model with the Z{sub N} symmetric twisted masses was analyzed in the framework of Witten's method. In M. Shifman and A. Yung, Phys. Rev. D 77, 125017 (2008), this analysis was extended: the large-N solution of the heterotic N=(0,2) CP(N-1) model with no twisted masses was found. Heremore » we solve this model with the twisted masses switched on. Dynamical scenarios at large and small m are studied (m is the twisted-mass scale). We found three distinct phases and two phase transitions on the m plane. Two phases with the spontaneously broken Z{sub N} symmetry are separated by a phase with unbroken Z{sub N}. This latter phase is characterized by a unique vacuum and confinement of all U(1) charged fields (''quarks''). In the broken phases (one of them is at strong coupling) there are N degenerate vacua and no confinement, similarly to the situation in the N=(2,2) model. Supersymmetry is spontaneously broken everywhere except a circle |m|={Lambda} in the Z{sub N}-unbroken phase. Related issues are considered. In particular, we discuss the mirror representation for the heterotic model in a certain limiting case.« less

Multiexponential models of (1+1)-dimensional dilaton gravity and Toda-Liouville integrable models

NASA Astrophysics Data System (ADS)

de Alfaro, V.; Filippov, A. T.

2010-01-01

We study general properties of a class of two-dimensional dilaton gravity (DG) theories with potentials containing several exponential terms. We isolate and thoroughly study a subclass of such theories in which the equations of motion reduce to Toda and Liouville equations. We show that the equation parameters must satisfy a certain constraint, which we find and solve for the most general multiexponential model. It follows from the constraint that integrable Toda equations in DG theories generally cannot appear without accompanying Liouville equations. The most difficult problem in the two-dimensional Toda-Liouville (TL) DG is to solve the energy and momentum constraints. We discuss this problem using the simplest examples and identify the main obstacles to solving it analytically. We then consider a subclass of integrable two-dimensional theories where scalar matter fields satisfy the Toda equations and the two-dimensional metric is trivial. We consider the simplest case in some detail. In this example, we show how to obtain the general solution. We also show how to simply derive wavelike solutions of general TL systems. In the DG theory, these solutions describe nonlinear waves coupled to gravity and also static states and cosmologies. For static states and cosmologies, we propose and study a more general one-dimensional TL model typically emerging in one-dimensional reductions of higher-dimensional gravity and supergravity theories. We especially attend to making the analytic structure of the solutions of the Toda equations as simple and transparent as possible.

Finite element based N-Port model for preliminary design of multibody systems

NASA Astrophysics Data System (ADS)

Sanfedino, Francesco; Alazard, Daniel; Pommier-Budinger, Valérie; Falcoz, Alexandre; Boquet, Fabrice

2018-02-01

This article presents and validates a general framework to build a linear dynamic Finite Element-based model of large flexible structures for integrated Control/Structure design. An extension of the Two-Input Two-Output Port (TITOP) approach is here developed. The authors had already proposed such framework for simple beam-like structures: each beam was considered as a TITOP sub-system that could be interconnected to another beam thanks to the ports. The present work studies bodies with multiple attaching points by allowing complex interconnections among several sub-structures in tree-like assembly. The TITOP approach is extended to generate NINOP (N-Input N-Output Port) models. A Matlab toolbox is developed integrating beam and bending plate elements. In particular a NINOP formulation of bending plates is proposed to solve analytic two-dimensional problems. The computation of NINOP models using the outputs of a MSC/Nastran modal analysis is also investigated in order to directly use the results provided by a commercial finite element software. The main advantage of this tool is to provide a model of a multibody system under the form of a block diagram with a minimal number of states. This model is easy to operate for preliminary design and control. An illustrative example highlights the potential of the proposed approach: the synthesis of the dynamical model of a spacecraft with two deployable and flexible solar arrays.

Wave-induced response of a floating two-dimensional body with a moonpool.

PubMed

Fredriksen, Arnt G; Kristiansen, Trygve; Faltinsen, Odd M

2015-01-28

Regular wave-induced behaviour of a floating stationary two-dimensional body with a moonpool is studied. The focus is on resonant piston-mode motion in the moonpool and rigid-body motions. Dedicated two-dimensional experiments have been performed. Two numerical hybrid methods, which have previously been applied to related problems, are further developed. Both numerical methods couple potential and viscous flow. The semi-nonlinear hybrid method uses linear free-surface and body-boundary conditions. The other one uses fully nonlinear free-surface and body-boundary conditions. The harmonic polynomial cell method solves the Laplace equation in the potential flow domain, while the finite volume method solves the Navier-Stokes equations in the viscous flow domain near the body. Results from the two codes are compared with the experimental data. The nonlinear hybrid method compares well with the data, while certain discrepancies are observed for the semi-nonlinear method. In particular, the roll motion is over-predicted by the semi-nonlinear hybrid method. Error sources in the semi-nonlinear hybrid method are discussed. The moonpool strongly affects heave motions in a frequency range around the piston-mode resonance frequency of the moonpool. No resonant water motions occur in the moonpool at the piston-mode resonance frequency. Instead large moonpool motions occur at a heave natural frequency associated with small damping near the piston-mode resonance frequency. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

Gradient flow of O(N) nonlinear sigma model at large N

DOE PAGES

Aoki, Sinya; Kikuchi, Kengo; Onogi, Tetsuya

2015-04-28

Here, we study the gradient flow equation for the O(N) nonlinear sigma model in two dimensions at large N. We parameterize solution of the field at flow time t in powers of bare fields by introducing the coefficient function X n for the n-th power term (n = 1, 3, ··· ). Reducing the flow equation by keeping only the contributions at leading order in large N, we obtain a set of equations for X n ’s, which can be solved iteratively starting from n = 1. For n = 1 case, we find an explicit form of the exactmore » solution. Using this solution, we show that the two point function at finite flow time t is finite. As an application, we obtain the non-perturbative running coupling defined from the energy density. We also discuss the solution for n = 3 case.« less

Hydrogen Epoch of Reinozation Array (HERA) Calibrated FFT Correlator Simulation

NASA Astrophysics Data System (ADS)

Salazar, Jeffrey David; Parsons, Aaron

2018-01-01

The Hydrogen Epoch of Reionization Array (HERA) project is an astronomical radio interferometer array with a redundant baseline configuration. Interferometer arrays are being used widely in radio astronomy because they have a variety of advantages over single antenna systems. For example, they produce images (visibilities) closely matching that of a large antenna (such as the Arecibo observatory), while both the hardware and maintenance costs are significantly lower. However, this method has some complications; one being the computational cost of correlating data from all of the antennas. A correlator is an electronic device that cross-correlates the data between the individual antennas; these are what radio astronomers call visibilities. HERA, being in its early stages, utilizes a traditional correlator system. The correlator cost scales as N2, where N is the number of antennas in the array. The purpose of a redundant baseline configuration array setup is for the use of a more efficient Fast Fourier Transform (FFT) correlator. FFT correlators scale as Nlog2N. The data acquired from this sort of setup, however, inherits geometric delay and uncalibrated antenna gains. This particular project simulates the process of calibrating signals from astronomical sources. Each signal “received” by an antenna in the simulation is given random antenna gain and geometric delay. The “linsolve” Python module was used to solve for the unknown variables in the simulation (complex gains and delays), which then gave a value for the true visibilities. This first version of the simulation only mimics a one dimensional redundant telescope array detecting a small amount of sources located in the volume above the antenna plane. Future versions, using GPUs, will handle a two dimensional redundant array of telescopes detecting a large amount of sources in the volume above the array.

Computational technique and performance of Transient Inundation Model for Rivers--2 Dimensional (TRIM2RD) : a depth-averaged two-dimensional flow model

USGS Publications Warehouse

Fulford, Janice M.

2003-01-01

A numerical computer model, Transient Inundation Model for Rivers -- 2 Dimensional (TrimR2D), that solves the two-dimensional depth-averaged flow equations is documented and discussed. The model uses a semi-implicit, semi-Lagrangian finite-difference method. It is a variant of the Trim model and has been used successfully in estuarine environments such as San Francisco Bay. The abilities of the model are documented for three scenarios: uniform depth flows, laboratory dam-break flows, and large-scale riverine flows. The model can start computations from a ?dry? bed and converge to accurate solutions. Inflows are expressed as source terms, which limits the use of the model to sufficiently long reaches where the flow reaches equilibrium with the channel. The data sets used by the investigation demonstrate that the model accurately propagates flood waves through long river reaches and simulates dam breaks with abrupt water-surface changes.

An adaptive grid algorithm for one-dimensional nonlinear equations

NASA Technical Reports Server (NTRS)

Gutierrez, William E.; Hills, Richard G.

1990-01-01

Richards' equation, which models the flow of liquid through unsaturated porous media, is highly nonlinear and difficult to solve. Step gradients in the field variables require the use of fine grids and small time step sizes. The numerical instabilities caused by the nonlinearities often require the use of iterative methods such as Picard or Newton interation. These difficulties result in large CPU requirements in solving Richards equation. With this in mind, adaptive and multigrid methods are investigated for use with nonlinear equations such as Richards' equation. Attention is focused on one-dimensional transient problems. To investigate the use of multigrid and adaptive grid methods, a series of problems are studied. First, a multigrid program is developed and used to solve an ordinary differential equation, demonstrating the efficiency with which low and high frequency errors are smoothed out. The multigrid algorithm and an adaptive grid algorithm is used to solve one-dimensional transient partial differential equations, such as the diffusive and convective-diffusion equations. The performance of these programs are compared to that of the Gauss-Seidel and tridiagonal methods. The adaptive and multigrid schemes outperformed the Gauss-Seidel algorithm, but were not as fast as the tridiagonal method. The adaptive grid scheme solved the problems slightly faster than the multigrid method. To solve nonlinear problems, Picard iterations are introduced into the adaptive grid and tridiagonal methods. Burgers' equation is used as a test problem for the two algorithms. Both methods obtain solutions of comparable accuracy for similar time increments. For the Burgers' equation, the adaptive grid method finds the solution approximately three times faster than the tridiagonal method. Finally, both schemes are used to solve the water content formulation of the Richards' equation. For this problem, the adaptive grid method obtains a more accurate solution in fewer work units and less computation time than required by the tridiagonal method. The performance of the adaptive grid method tends to degrade as the solution process proceeds in time, but still remains faster than the tridiagonal scheme.

A collective phase in resource competition in a highly diverse ecosystem

NASA Astrophysics Data System (ADS)

Tikhonov, Mikhail; Monasson, Remi

Recent technological advances uncovered that most habitats, including the human body, harbor hundreds of coexisting microbial ``species''. The problem of understanding such complex communities is currently at the forefront of medical and environmental sciences. A particularly intriguing question is whether the high-diversity regime (large number of species N) gives rise to qualitatively novel phenomena that could not be intuited from analysis of low-dimensional models (with few species). However, few existing approaches allow studying this regime, except in simulations. Here, we use methods of statistical physics to show that the large- N limit of a classic ecological model of resource competition introduced by MacArthur in 1969 can be solved analytically. Our results provide a tractable model where the implications of large dimensionality of eco-evolutionary problems can be investigated. In particular, we show that at high diversity, the MacArthur model exhibits a phase transition into a curious regime where the environment constructed by the community becomes a collective property, insensitive to the external conditions such as the total resource influx supplied to the community. Supported by Harvard Center of Mathematical Sciences and Applications, and the Simons Foundation. This work was completed at the Aspen Center for Physics, supported by National Science Foundation Grant PHY-1066293.

Crystal structures of the three closely related compounds: bis-[(1H-tetra-zol-5-yl)meth-yl]nitramide, tri-amino-guanidinium 5-({[(1H-tetra-zol-5-yl)meth-yl](nitro)-amino}-meth-yl)tetra-zol-1-ide, and di-ammonium bis-[(tetra-zol-1-id-5-yl)meth-yl]nitramide monohydrate.

PubMed

Mitchell, Lauren A; Imler, Gregory H; Parrish, Damon A; Deschamps, Jeffrey R; Leonard, Philip W; Chavez, David E

2017-07-01

In the mol-ecule of neutral bis-[(1 H -tetra-zol-5-yl)meth-yl]nitramide, (I), C 4 H 6 N 10 O 2 , there are two intra-molecular N-H⋯O hydrogen bonds. In the crystal, N-H⋯N hydrogen bonds link mol-ecules, forming a two-dimensional network parallel to (-201) and weak C-H⋯O, C-H⋯N hydrogen bonds, and inter-molecular π-π stacking completes the three-dimensional network. The anion in the molecular salt, tri-amino-guanidinium 5-({[(1 H -tetra-zol-5-yl)meth-yl](nitro)-amino}-meth-yl)tetra-zol-1-ide, (II), CH 9 N 6 + ·C 4 H 5 N 10 O 2 - , displays intra-molecular π-π stacking and in the crystal, N-H⋯N and N-H⋯O hydrogen bonds link the components of the structure, forming a three-dimensional network. In the crystal of di-ammonium bis-[(tetra-zol-1-id-5-yl)meth-yl]nitramide monohydrate, (III), 2NH 4 + ·C 4 H 4 N 10 O 2 2- ·H 2 O, O-H⋯N, N-H⋯N, and N-H⋯O hydrogen bonds link the components of the structure into a three-dimensional network. In addition, there is inter-molecular π-π stacking. In all three structures, the central N atom of the nitramide is mainly sp 2 -hybridized. Bond lengths indicate delocalization of charges on the tetra-zole rings for all three compounds. Compound (II) was found to be a non-merohedral twin and was solved and refined in the major component.

Solution of elliptic partial differential equations by fast Poisson solvers using a local relaxation factor. 1: One-step method

NASA Technical Reports Server (NTRS)

Chang, S. C.

1986-01-01

An algorithm for solving a large class of two- and three-dimensional nonseparable elliptic partial differential equations (PDE's) is developed and tested. It uses a modified D'Yakanov-Gunn iterative procedure in which the relaxation factor is grid-point dependent. It is easy to implement and applicable to a variety of boundary conditions. It is also computationally efficient, as indicated by the results of numerical comparisons with other established methods. Furthermore, the current algorithm has the advantage of possessing two important properties which the traditional iterative methods lack; that is: (1) the convergence rate is relatively insensitive to grid-cell size and aspect ratio, and (2) the convergence rate can be easily estimated by using the coefficient of the PDE being solved.

A higher-order conservation element solution element method for solving hyperbolic differential equations on unstructured meshes

NASA Astrophysics Data System (ADS)

Bilyeu, David

This dissertation presents an extension of the Conservation Element Solution Element (CESE) method from second- to higher-order accuracy. The new method retains the favorable characteristics of the original second-order CESE scheme, including (i) the use of the space-time integral equation for conservation laws, (ii) a compact mesh stencil, (iii) the scheme will remain stable up to a CFL number of unity, (iv) a fully explicit, time-marching integration scheme, (v) true multidimensionality without using directional splitting, and (vi) the ability to handle two- and three-dimensional geometries by using unstructured meshes. This algorithm has been thoroughly tested in one, two and three spatial dimensions and has been shown to obtain the desired order of accuracy for solving both linear and non-linear hyperbolic partial differential equations. The scheme has also shown its ability to accurately resolve discontinuities in the solutions. Higher order unstructured methods such as the Discontinuous Galerkin (DG) method and the Spectral Volume (SV) methods have been developed for one-, two- and three-dimensional application. Although these schemes have seen extensive development and use, certain drawbacks of these methods have been well documented. For example, the explicit versions of these two methods have very stringent stability criteria. This stability criteria requires that the time step be reduced as the order of the solver increases, for a given simulation on a given mesh. The research presented in this dissertation builds upon the work of Chang, who developed a fourth-order CESE scheme to solve a scalar one-dimensional hyperbolic partial differential equation. The completed research has resulted in two key deliverables. The first is a detailed derivation of a high-order CESE methods on unstructured meshes for solving the conservation laws in two- and three-dimensional spaces. The second is the code implementation of these numerical methods in a computer code. For code development, a one-dimensional solver for the Euler equations was developed. This work is an extension of Chang's work on the fourth-order CESE method for solving a one-dimensional scalar convection equation. A generic formulation for the nth-order CESE method, where n ≥ 4, was derived. Indeed, numerical implementation of the scheme confirmed that the order of convergence was consistent with the order of the scheme. For the two- and three-dimensional solvers, SOLVCON was used as the basic framework for code implementation. A new solver kernel for the fourth-order CESE method has been developed and integrated into the framework provided by SOLVCON. The main part of SOLVCON, which deals with unstructured meshes and parallel computing, remains intact. The SOLVCON code for data transmission between computer nodes for High Performance Computing (HPC). To validate and verify the newly developed high-order CESE algorithms, several one-, two- and three-dimensional simulations where conducted. For the arbitrary order, one-dimensional, CESE solver, three sets of governing equations were selected for simulation: (i) the linear convection equation, (ii) the linear acoustic equations, (iii) the nonlinear Euler equations. All three systems of equations were used to verify the order of convergence through mesh refinement. In addition the Euler equations were used to solve the Shu-Osher and Blastwave problems. These two simulations demonstrated that the new high-order CESE methods can accurately resolve discontinuities in the flow field.For the two-dimensional, fourth-order CESE solver, the Euler equation was employed in four different test cases. The first case was used to verify the order of convergence through mesh refinement. The next three cases demonstrated the ability of the new solver to accurately resolve discontinuities in the flows. This was demonstrated through: (i) the interaction between acoustic waves and an entropy pulse, (ii) supersonic flow over a circular blunt body, (iii) supersonic flow over a guttered wedge. To validate and verify the three-dimensional, fourth-order CESE solver, two different simulations where selected. The first used the linear convection equations to demonstrate fourth-order convergence. The second used the Euler equations to simulate supersonic flow over a spherical body to demonstrate the scheme's ability to accurately resolve shocks. All test cases used are well known benchmark problems and as such, there are multiple sources available to validate the numerical results. Furthermore, the simulations showed that the high-order CESE solver was stable at a CFL number near unity.

A new approach to the linear theory of single-species tearing in two-dimensional quasi-neutral sheets

NASA Technical Reports Server (NTRS)

Brittnacher, M.; Quest, K. B.; Karimabadi, H.

1995-01-01

We have developed the linear theory of collisionless ion tearing in a two-dimensional magnetotail equilibrium for a single resonant species. We have solved the normal mode problem for tearing instability by an algorithm that employs particle-in-cell simulation to calculate the orbit integrals in the Maxwell-Vlasov eigenmode equation. The results of our single-species tearing analysis can be applied to ion tearing where electron effects are not included. We have calculated the tearing growth rate as a function of the magnetic field component B(sub n) normal to the current sheet for thick and thin current sheets, and we show that marginal stability occurs when the normal gyrofrequency Omega(sub n) is comparable to the Harris neutral sheet growth rate. A cross-tail B(sub y) component has little effect on the growth rate for B(sub y) approximately = B(sub n). Even in the limit B(sub y) much greater than B(sub n), the mode is strongly stabilized by B(sub n). We report than random pitch angle scattering can overcome the stabilizing effect of B(sub n) and drive the growth rate up toward the Harris neutral sheet (B(sub n) = 0) value when the pitch angle diffusion rate is comparable to Omega(sub n).

Diffusion Forecasting Model with Basis Functions from QR-Decomposition

NASA Astrophysics Data System (ADS)

Harlim, John; Yang, Haizhao

2018-06-01

The diffusion forecasting is a nonparametric approach that provably solves the Fokker-Planck PDE corresponding to Itô diffusion without knowing the underlying equation. The key idea of this method is to approximate the solution of the Fokker-Planck equation with a discrete representation of the shift (Koopman) operator on a set of basis functions generated via the diffusion maps algorithm. While the choice of these basis functions is provably optimal under appropriate conditions, computing these basis functions is quite expensive since it requires the eigendecomposition of an N× N diffusion matrix, where N denotes the data size and could be very large. For large-scale forecasting problems, only a few leading eigenvectors are computationally achievable. To overcome this computational bottleneck, a new set of basis functions constructed by orthonormalizing selected columns of the diffusion matrix and its leading eigenvectors is proposed. This computation can be carried out efficiently via the unpivoted Householder QR factorization. The efficiency and effectiveness of the proposed algorithm will be shown in both deterministically chaotic and stochastic dynamical systems; in the former case, the superiority of the proposed basis functions over purely eigenvectors is significant, while in the latter case forecasting accuracy is improved relative to using a purely small number of eigenvectors. Supporting arguments will be provided on three- and six-dimensional chaotic ODEs, a three-dimensional SDE that mimics turbulent systems, and also on the two spatial modes associated with the boreal winter Madden-Julian Oscillation obtained from applying the Nonlinear Laplacian Spectral Analysis on the measured Outgoing Longwave Radiation.

Diffusion Forecasting Model with Basis Functions from QR-Decomposition

NASA Astrophysics Data System (ADS)

Harlim, John; Yang, Haizhao

2017-12-01

The diffusion forecasting is a nonparametric approach that provably solves the Fokker-Planck PDE corresponding to Itô diffusion without knowing the underlying equation. The key idea of this method is to approximate the solution of the Fokker-Planck equation with a discrete representation of the shift (Koopman) operator on a set of basis functions generated via the diffusion maps algorithm. While the choice of these basis functions is provably optimal under appropriate conditions, computing these basis functions is quite expensive since it requires the eigendecomposition of an N× N diffusion matrix, where N denotes the data size and could be very large. For large-scale forecasting problems, only a few leading eigenvectors are computationally achievable. To overcome this computational bottleneck, a new set of basis functions constructed by orthonormalizing selected columns of the diffusion matrix and its leading eigenvectors is proposed. This computation can be carried out efficiently via the unpivoted Householder QR factorization. The efficiency and effectiveness of the proposed algorithm will be shown in both deterministically chaotic and stochastic dynamical systems; in the former case, the superiority of the proposed basis functions over purely eigenvectors is significant, while in the latter case forecasting accuracy is improved relative to using a purely small number of eigenvectors. Supporting arguments will be provided on three- and six-dimensional chaotic ODEs, a three-dimensional SDE that mimics turbulent systems, and also on the two spatial modes associated with the boreal winter Madden-Julian Oscillation obtained from applying the Nonlinear Laplacian Spectral Analysis on the measured Outgoing Longwave Radiation.

Pressure Oscillations and Structural Vibrations in Space Shuttle RSRM and ETM-3 Motors

NASA Technical Reports Server (NTRS)

Mason, D. R.; Morstadt, R. A.; Cannon, S. M.; Gross, E. G.; Nielsen, D. B.

2004-01-01

The complex interactions between internal motor pressure oscillations resulting from vortex shedding, the motor's internal acoustic modes, and the motor's structural vibration modes were assessed for the Space Shuttle four-segment booster Reusable Solid Rocket Motor and for the five-segment engineering test motor ETM-3. Two approaches were applied 1) a predictive procedure based on numerically solving modal representations of a solid rocket motor s acoustic equations of motion and 2) a computational fluid dynamics two-dimensional axi-symmetric large eddy simulation at discrete motor burn times.

Non-Abelian semilocal strings in N=2 supersymmetric QCD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shifman, M.; Yung, A.; Petersburg Nuclear Physics Institute, Gatchina, St. Petersburg 188300

2006-06-15

We consider a benchmark bulk theory in four dimensions: N=2 supersymmetric QCD with the gauge group U(N) and N{sub f} flavors of fundamental matter hypermultiplets (quarks). The nature of the Bogomol'nyi-Prasad-Sommerfield (BPS) strings in this benchmark theory crucially depends on N{sub f}. If N{sub f}{>=}N and all quark masses are equal, it supports non-Abelian BPS strings which have internal (orientational) moduli. If N{sub f}>N these strings become semilocal, developing additional moduli {rho} related to (unlimited) variations of their transverse size. Using the U(2) gauge group with N{sub f}=3, 4 as an example, we derive an effective low-energy theory on themore » (two-dimensional) string world sheet. Our derivation is field theoretic, direct and explicit: we first analyze the Bogomol'nyi equations for string-geometry solitons, suggest an ansatz, and solve it at large {rho}. Then we use this solution to obtain the world-sheet theory. In the semiclassical limit our result confirms the Hanany-Tong conjecture, which rests on brane-based arguments, that the world-sheet theory is an N=2 supersymmetric U(1) gauge theory with N positively and N{sub e}=N{sub f}-N negatively charged matter multiplets and the Fayet-Iliopoulos term determined by the four-dimensional coupling constant. We conclude that the Higgs branch of this model is not lifted by quantum effects. As a result, such strings cannot confine. Our analysis of infrared effects, not seen in the Hanany-Tong consideration, shows that, in fact, the derivative expansion can make sense only provided that the theory under consideration is regularized in the infrared, e.g. by the quark mass differences. The world-sheet action discussed in this paper becomes a bona fide low-energy effective action only if {delta}m{sub AB}{ne}0.« less

Reduced dimensionality tailored HN(C)N experiments for facile backbone resonance assignment of proteins through unambiguous identification of sequential HSQC peaks

NASA Astrophysics Data System (ADS)

Kumar, Dinesh

2013-12-01

Two novel reduced dimensionality (RD) tailored HN(C)N [S.C. Panchal, N.S. Bhavesh, R.V. Hosur, Improved 3D triple resonance experiments, HNN and HN(C)N, for HN and 15N sequential correlations in (13C, 15N) labeled proteins: application to unfolded proteins, J. Biomol. NMR 20 (2001) 135-147] experiments are proposed to facilitate the backbone resonance assignment of proteins both in terms of its accuracy and speed. These experiments - referred here as (4,3)D-hNCOcaNH and (4,3)D-hNcoCANH - exploit the linear combination of backbone 15N and 13C‧/13Cα chemical shifts simultaneously to achieve higher peak dispersion and randomness along their respective F1 dimensions. Simply, this has been achieved by modulating the backbone 15N(i) chemical shifts with that of 13C‧ (i - 1)/13Cα (i - 1) spins following the established reduced dimensionality NMR approach [T. Szyperski, D.C. Yeh, D.K. Sukumaran, H.N. Moseley, G.T. Montelione, Reduced-dimensionality NMR spectroscopy for high-throughput protein resonance assignment, Proc. Natl. Acad. Sci. USA 99 (2002) 8009-8014]. Though the modification is simple it has resulted an ingenious improvement of HN(C)N both in terms of peak dispersion and easiness of establishing the sequential connectivities. The increased dispersion along F1 dimension solves two purposes here: (i) resolves the ambiguities arising because of degenerate 15N chemical shifts and (ii) reduces the signal overlap in F2(15N)-F3(1H) planes (an important requisite in HN(C)N based assignment protocol for facile and unambiguous identification of sequentially connected HSQC peaks). The performance of both these experiments and the assignment protocol has been demonstrated using bovine apo Calbindin-d9k (75 aa) and urea denatured UNC60B (a 152 amino acid ADF/cofilin family protein of Caenorhabditis elegans), as representatives of folded and unfolded protein systems, respectively.

An Exponential Finite Difference Technique for Solving Partial Differential Equations. M.S. Thesis - Toledo Univ., Ohio

NASA Technical Reports Server (NTRS)

Handschuh, Robert F.

1987-01-01

An exponential finite difference algorithm, as first presented by Bhattacharya for one-dimensianal steady-state, heat conduction in Cartesian coordinates, has been extended. The finite difference algorithm developed was used to solve the diffusion equation in one-dimensional cylindrical coordinates and applied to two- and three-dimensional problems in Cartesian coordinates. The method was also used to solve nonlinear partial differential equations in one (Burger's equation) and two (Boundary Layer equations) dimensional Cartesian coordinates. Predicted results were compared to exact solutions where available, or to results obtained by other numerical methods. It was found that the exponential finite difference method produced results that were more accurate than those obtained by other numerical methods, especially during the initial transient portion of the solution. Other applications made using the exponential finite difference technique included unsteady one-dimensional heat transfer with temperature varying thermal conductivity and the development of the temperature field in a laminar Couette flow.

exponential finite difference technique for solving partial differential equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Handschuh, R.F.

1987-01-01

An exponential finite difference algorithm, as first presented by Bhattacharya for one-dimensianal steady-state, heat conduction in Cartesian coordinates, has been extended. The finite difference algorithm developed was used to solve the diffusion equation in one-dimensional cylindrical coordinates and applied to two- and three-dimensional problems in Cartesian coordinates. The method was also used to solve nonlinear partial differential equations in one (Burger's equation) and two (Boundary Layer equations) dimensional Cartesian coordinates. Predicted results were compared to exact solutions where available, or to results obtained by other numerical methods. It was found that the exponential finite difference method produced results that weremore » more accurate than those obtained by other numerical methods, especially during the initial transient portion of the solution. Other applications made using the exponential finite difference technique included unsteady one-dimensional heat transfer with temperature varying thermal conductivity and the development of the temperature field in a laminar Couette flow.« less

[Research on non-rigid registration of multi-modal medical image based on Demons algorithm].

PubMed

Hao, Peibo; Chen, Zhen; Jiang, Shaofeng; Wang, Yang

2014-02-01

Non-rigid medical image registration is a popular subject in the research areas of the medical image and has an important clinical value. In this paper we put forward an improved algorithm of Demons, together with the conservation of gray model and local structure tensor conservation model, to construct a new energy function processing multi-modal registration problem. We then applied the L-BFGS algorithm to optimize the energy function and solve complex three-dimensional data optimization problem. And finally we used the multi-scale hierarchical refinement ideas to solve large deformation registration. The experimental results showed that the proposed algorithm for large de formation and multi-modal three-dimensional medical image registration had good effects.

A Two-Layer Least Squares Support Vector Machine Approach to Credit Risk Assessment

NASA Astrophysics Data System (ADS)

Liu, Jingli; Li, Jianping; Xu, Weixuan; Shi, Yong

Least squares support vector machine (LS-SVM) is a revised version of support vector machine (SVM) and has been proved to be a useful tool for pattern recognition. LS-SVM had excellent generalization performance and low computational cost. In this paper, we propose a new method called two-layer least squares support vector machine which combines kernel principle component analysis (KPCA) and linear programming form of least square support vector machine. With this method sparseness and robustness is obtained while solving large dimensional and large scale database. A U.S. commercial credit card database is used to test the efficiency of our method and the result proved to be a satisfactory one.

Groundstates of the Choquard equations with a sign-changing self-interaction potential

NASA Astrophysics Data System (ADS)

Battaglia, Luca; Van Schaftingen, Jean

2018-06-01

We consider a nonlinear Choquard equation -Δ u+u= (V * |u|^p )|u|^{p-2}u \\qquad {in }{R}^N, when the self-interaction potential V is unbounded from below. Under some assumptions on V and on p, covering p =2 and V being the one- or two-dimensional Newton kernel, we prove the existence of a nontrivial groundstate solution u\\in H^1 (R^N){\\setminus }{0} by solving a relaxed problem by a constrained minimization and then proving the convergence of the relaxed solutions to a groundstate of the original equation.

Application of Least-Squares Adjustment Technique to Geometric Camera Calibration and Photogrammetric Flow Visualization

NASA Technical Reports Server (NTRS)

Chen, Fang-Jenq

1997-01-01

Flow visualization produces data in the form of two-dimensional images. If the optical components of a camera system are perfect, the transformation equations between the two-dimensional image and the three-dimensional object space are linear and easy to solve. However, real camera lenses introduce nonlinear distortions that affect the accuracy of transformation unless proper corrections are applied. An iterative least-squares adjustment algorithm is developed to solve the nonlinear transformation equations incorporated with distortion corrections. Experimental applications demonstrate that a relative precision on the order of 40,000 is achievable without tedious laboratory calibrations of the camera.

Modeling and stress analysis of large format InSb focal plane arrays detector under thermal shock

NASA Astrophysics Data System (ADS)

Zhang, Li-Wen; Meng, Qing-Duan; Zhang, Xiao-Ling; Yu, Qian; Lv, Yan-Qiu; Si, Jun-Jie

2013-09-01

Higher fracture probability, appearing in large format InSb infrared focal plane arrays detector under thermal shock loadings, limits its applicability and suitability for large format equipment, and has been an urgent problem to be solved. In order to understand the fracture mechanism and improve the reliability, three dimensional modeling and stress analysis of large format InSb detector is necessary. However, there are few reports on three dimensional modeling and simulation of large format InSb detector, due to huge meshing numbers and time-consuming operation to solve. To solve the problems, basing on the thermal mismatch displacement formula, an equivalent modeling method is proposed in this paper. With the proposed equivalent modeling method, employing the ANSYS software, three dimensional large format InSb detector is modeled, and the maximum Von Mises stress appearing in InSb chip dependent on array format is researched. According to the maximum Von Mises stress location shift and stress increasing tendency, the adaptability range of the proposed equivalent method is also derived, that is, for 16 × 16, 32 × 32 and 64 × 64 format, its adaptability ranges are not larger than 64 × 64, 256 × 256 and 1024 × 1024 format, respectively. Taking 1024 × 1024 InSb detector as an example, the Von Mises stress distribution appearing in InSb chip, Si readout integrated circuits and indium bump arrays are described, and the causes are discussed in detail. All these will provide a feasible research plan to identify the fracture origins of InSb chip and reduce fracture probability for large format InSb detector.

Two-point functions in a holographic Kondo model

NASA Astrophysics Data System (ADS)

Erdmenger, Johanna; Hoyos, Carlos; O'Bannon, Andy; Papadimitriou, Ioannis; Probst, Jonas; Wu, Jackson M. S.

2017-03-01

We develop the formalism of holographic renormalization to compute two-point functions in a holographic Kondo model. The model describes a (0 + 1)-dimensional impurity spin of a gauged SU( N ) interacting with a (1 + 1)-dimensional, large- N , strongly-coupled Conformal Field Theory (CFT). We describe the impurity using Abrikosov pseudo-fermions, and define an SU( N )-invariant scalar operator O built from a pseudo-fermion and a CFT fermion. At large N the Kondo interaction is of the form O^{\\dagger}O, which is marginally relevant, and generates a Renormalization Group (RG) flow at the impurity. A second-order mean-field phase transition occurs in which O condenses below a critical temperature, leading to the Kondo effect, including screening of the impurity. Via holography, the phase transition is dual to holographic superconductivity in (1 + 1)-dimensional Anti-de Sitter space. At all temperatures, spectral functions of O exhibit a Fano resonance, characteristic of a continuum of states interacting with an isolated resonance. In contrast to Fano resonances observed for example in quantum dots, our continuum and resonance arise from a (0 + 1)-dimensional UV fixed point and RG flow, respectively. In the low-temperature phase, the resonance comes from a pole in the Green's function of the form - i< O >2, which is characteristic of a Kondo resonance.

Topics in Two-Dimensional Quantum Gravity and Chern-Simons Gauge Theories

NASA Astrophysics Data System (ADS)

Zemba, Guillermo Raul

A series of studies in two and three dimensional theories is presented. The two dimensional problems are considered in the framework of String Theory. The first one determines the region of integration in the space of inequivalent tori of a tadpole diagram in Closed String Field Theory, using the naive Witten three-string vertex. It is shown that every surface is counted an infinite number of times and the source of this behavior is identified. The second study analyzes the behavior of the discrete matrix model of two dimensional gravity without matter using a mathematically well-defined construction, confirming several conjectures and partial results from the literature. The studies in three dimensions are based on Chern Simons pure gauge theory. The first one deals with the projection of the theory onto a two-dimensional surface of constant time, whereas the second analyzes the large N behavior of the SU(N) theory and makes evident a duality symmetry between the only two parameters of the theory. (Copies available exclusively from MIT Libraries, Rm. 14-0551, Cambridge, MA 02139-4307. Ph. 617-253-5668; Fax 617-253 -1690.).

An efficient three-dimensional Poisson solver for SIMD high-performance-computing architectures

NASA Technical Reports Server (NTRS)

Cohl, H.

1994-01-01

We present an algorithm that solves the three-dimensional Poisson equation on a cylindrical grid. The technique uses a finite-difference scheme with operator splitting. This splitting maps the banded structure of the operator matrix into a two-dimensional set of tridiagonal matrices, which are then solved in parallel. Our algorithm couples FFT techniques with the well-known ADI (Alternating Direction Implicit) method for solving Elliptic PDE's, and the implementation is extremely well suited for a massively parallel environment like the SIMD architecture of the MasPar MP-1. Due to the highly recursive nature of our problem, we believe that our method is highly efficient, as it avoids excessive interprocessor communication.

A progress report on estuary modeling by the finite-element method

USGS Publications Warehouse

Gray, William G.

1978-01-01

Various schemes are investigated for finite-element modeling of two-dimensional surface-water flows. The first schemes investigated combine finite-element spatial discretization with split-step time stepping schemes that have been found useful in finite-difference computations. Because of the large number of numerical integrations performed in space and the large sparse matrices solved, these finite-element schemes were found to be economically uncompetitive with finite-difference schemes. A very promising leapfrog scheme is proposed which, when combined with a novel very fast spatial integration procedure, eliminates the need to solve any matrices at all. Additional problems attacked included proper propagation of waves and proper specification of the normal flow-boundary condition. This report indicates work in progress and does not come to a definitive conclusion as to the best approach for finite-element modeling of surface-water problems. The results presented represent findings obtained between September 1973 and July 1976. (Woodard-USGS)

An Autonomous Sensor Tasking Approach for Large Scale Space Object Cataloging

NASA Astrophysics Data System (ADS)

Linares, R.; Furfaro, R.

The field of Space Situational Awareness (SSA) has progressed over the last few decades with new sensors coming online, the development of new approaches for making observations, and new algorithms for processing them. Although there has been success in the development of new approaches, a missing piece is the translation of SSA goals to sensors and resource allocation; otherwise known as the Sensor Management Problem (SMP). This work solves the SMP using an artificial intelligence approach called Deep Reinforcement Learning (DRL). Stable methods for training DRL approaches based on neural networks exist, but most of these approaches are not suitable for high dimensional systems. The Asynchronous Advantage Actor-Critic (A3C) method is a recently developed and effective approach for high dimensional systems, and this work leverages these results and applies this approach to decision making in SSA. The decision space for the SSA problems can be high dimensional, even for tasking of a single telescope. Since the number of SOs in space is relatively high, each sensor will have a large number of possible actions at a given time. Therefore, efficient DRL approaches are required when solving the SMP for SSA. This work develops a A3C based method for DRL applied to SSA sensor tasking. One of the key benefits of DRL approaches is the ability to handle high dimensional data. For example DRL methods have been applied to image processing for the autonomous car application. For example, a 256x256 RGB image has 196608 parameters (256*256*3=196608) which is very high dimensional, and deep learning approaches routinely take images like this as inputs. Therefore, when applied to the whole catalog the DRL approach offers the ability to solve this high dimensional problem. This work has the potential to, for the first time, solve the non-myopic sensor tasking problem for the whole SO catalog (over 22,000 objects) providing a truly revolutionary result.

How to cluster in parallel with neural networks

NASA Technical Reports Server (NTRS)

Kamgar-Parsi, Behzad; Gualtieri, J. A.; Devaney, Judy E.; Kamgar-Parsi, Behrooz

1988-01-01

Partitioning a set of N patterns in a d-dimensional metric space into K clusters - in a way that those in a given cluster are more similar to each other than the rest - is a problem of interest in astrophysics, image analysis and other fields. As there are approximately K(N)/K (factorial) possible ways of partitioning the patterns among K clusters, finding the best solution is beyond exhaustive search when N is large. Researchers show that this problem can be formulated as an optimization problem for which very good, but not necessarily optimal solutions can be found by using a neural network. To do this the network must start from many randomly selected initial states. The network is simulated on the MPP (a 128 x 128 SIMD array machine), where researchers use the massive parallelism not only in solving the differential equations that govern the evolution of the network, but also by starting the network from many initial states at once, thus obtaining many solutions in one run. Researchers obtain speedups of two to three orders of magnitude over serial implementations and the promise through Analog VLSI implementations of speedups comensurate with human perceptual abilities.

A Novel Two-Wire Fast Readout Approach for Suppressing Cable Crosstalk in a Tactile Resistive Sensor Array

PubMed Central

Wu, Jianfeng; Wang, Yu; Li, Jianqing; Song, Aiguo

2016-01-01

For suppressing the crosstalk problem due to wire resistances and contacted resistances of the long flexible cables in tactile sensing systems, we present a novel two-wire fast readout approach for the two-dimensional resistive sensor array in shared row-column fashion. In the approach, two wires are used for every driving electrode and every sampling electrode in the resistive sensor array. The approach with a high readout rate, though it requires a large number of wires and many sampling channels, solves the cable crosstalk problem. We also verified the approach’s performance with Multisim simulations and actual experiments. PMID:27213373

Computation for Electromigration in Interconnects of Microelectronic Devices

NASA Astrophysics Data System (ADS)

Averbuch, Amir; Israeli, Moshe; Ravve, Igor; Yavneh, Irad

2001-03-01

Reliability and performance of microelectronic devices depend to a large extent on the resistance of interconnect lines. Voids and cracks may occur in the interconnects, causing a severe increase in the total resistance and even open circuits. In this work we analyze void motion and evolution due to surface diffusion effects and applied external voltage. The interconnects under consideration are three-dimensional (sandwich) constructs made of a very thin metal film of possibly variable thickness attached to a substrate of nonvanishing conductance. A two-dimensional level set approach was applied to study the dynamics of the moving (assumed one-dimensional) boundary of a void in the metal film. The level set formulation of an electromigration and diffusion model results in a fourth-order nonlinear (two-dimensional) time-dependent PDE. This equation was discretized by finite differences on a regular grid in space and a Runge-Kutta integration scheme in time, and solved simultaneously with a second-order static elliptic PDE describing the electric potential distribution throughout the interconnect line. The well-posed three-dimensional problem for the potential was approximated via singular perturbations, in the limit of small aspect ratio, by a two-dimensional elliptic equation with variable coefficients describing the combined local conductivity of metal and substrate (which is allowed to vary in time and space). The difference scheme for the elliptic PDE was solved by a multigrid technique at each time step. Motion of voids in both weak and strong electric fields was examined, and different initial void configurations were considered, including circles, ellipses, polygons with rounded corners, a butterfly, and long grooves. Analysis of the void behavior and its influence on the resistance gives the circuit designer a tool for choosing the proper parameters of an interconnect (width-to-length ratio, properties of the line material, conductivity of the underlayer, etc.).

Theoretical and experimental studies of electric field distribution in N-polar GaN/AlGaN/GaN heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gladysiewicz, M., E-mail: marta.gladysiewicz@pwr.edu.pl; Janicki, L.; Kudrawiec, R.

2015-12-28

Electric field distribution in N-polar GaN(channel)/AlGaN/GaN(buffer) heterostructures was studied theoretically by solving Schrodinger and Poisson equations in a self-consistent manner for various boundary conditions and comparing results of these calculations with experimental data, i.e., measurements of electric field in GaN(channel) and AlGaN layers by electromodulation spectroscopy. A very good agreement between theoretical calculations and experimental data has been found for the Fermi-level located at ∼0.3 eV below the conduction band at N-polar GaN surface. With this surface boundary condition, the electric field distribution and two dimensional electron gas concentration are determined for GaN(channel)/AlGaN/GaN(buffer) heterostructures of various thicknesses of GaN(channel) and AlGaNmore » layers.« less

Solving the Secondary Structure Matching Problem in Cryo-EM De Novo Modeling Using a Constrained K-Shortest Path Graph Algorithm.

PubMed

Al Nasr, Kamal; Ranjan, Desh; Zubair, Mohammad; Chen, Lin; He, Jing

2014-01-01

Electron cryomicroscopy is becoming a major experimental technique in solving the structures of large molecular assemblies. More and more three-dimensional images have been obtained at the medium resolutions between 5 and 10 Å. At this resolution range, major α-helices can be detected as cylindrical sticks and β-sheets can be detected as plain-like regions. A critical question in de novo modeling from cryo-EM images is to determine the match between the detected secondary structures from the image and those on the protein sequence. We formulate this matching problem into a constrained graph problem and present an O(Δ(2)N(2)2(N)) algorithm to this NP-Hard problem. The algorithm incorporates the dynamic programming approach into a constrained K-shortest path algorithm. Our method, DP-TOSS, has been tested using α-proteins with maximum 33 helices and α-β proteins up to five helices and 12 β-strands. The correct match was ranked within the top 35 for 19 of the 20 α-proteins and all nine α-β proteins tested. The results demonstrate that DP-TOSS improves accuracy, time and memory space in deriving the topologies of the secondary structure elements for proteins with a large number of secondary structures and a complex skeleton.

Swelling of two-dimensional polymer rings by trapped particles.

PubMed

Haleva, E; Diamant, H

2006-09-01

The mean area of a two-dimensional Gaussian ring of N monomers is known to diverge when the ring is subject to a critical pressure differential, p c ~ N -1. In a recent publication (Eur. Phys. J. E 19, 461 (2006)) we have shown that for an inextensible freely jointed ring this divergence turns into a second-order transition from a crumpled state, where the mean area scales as [A]~N-1, to a smooth state with [A]~N(2). In the current work we extend these two models to the case where the swelling of the ring is caused by trapped ideal-gas particles. The Gaussian model is solved exactly, and the freely jointed one is treated using a Flory argument, mean-field theory, and Monte Carlo simulations. For a fixed number Q of trapped particles the criticality disappears in both models through an unusual mechanism, arising from the absence of an area constraint. In the Gaussian case the ring swells to such a mean area, [A]~ NQ, that the pressure exerted by the particles is at p c for any Q. In the freely jointed model the mean area is such that the particle pressure is always higher than p c, and [A] consequently follows a single scaling law, [A]~N(2) f (Q/N), for any Q. By contrast, when the particles are in contact with a reservoir of fixed chemical potential, the criticality is retained. Thus, the two ensembles are manifestly inequivalent in these systems.

DOMAIN DECOMPOSITION METHOD APPLIED TO A FLOW PROBLEM Norberto C. Vera Guzmán Institute of Geophysics, UNAM

NASA Astrophysics Data System (ADS)

Vera, N. C.; GMMC

2013-05-01

In this paper we present the results of macrohybrid mixed Darcian flow in porous media in a general three-dimensional domain. The global problem is solved as a set of local subproblems which are posed using a domain decomposition method. Unknown fields of local problems, velocity and pressure are approximated using mixed finite elements. For this application, a general three-dimensional domain is considered which is discretized using tetrahedra. The discrete domain is decomposed into subdomains and reformulated the original problem as a set of subproblems, communicated through their interfaces. To solve this set of subproblems, we use finite element mixed and parallel computing. The parallelization of a problem using this methodology can, in principle, to fully exploit a computer equipment and also provides results in less time, two very important elements in modeling. Referencias G.Alduncin and N.Vera-Guzmán Parallel proximal-point algorithms for mixed _nite element models of _ow in the subsurface, Commun. Numer. Meth. Engng 2004; 20:83-104 (DOI: 10.1002/cnm.647) Z. Chen, G.Huan and Y. Ma Computational Methods for Multiphase Flows in Porous Media, SIAM, Society for Industrial and Applied Mathematics, Philadelphia, 2006. A. Quarteroni and A. Valli, Numerical Approximation of Partial Differential Equations, Springer-Verlag, Berlin, 1994. Brezzi F, Fortin M. Mixed and Hybrid Finite Element Methods. Springer: New York, 1991.

Three-dimensional cellular deformation analysis with a two-photon magnetic manipulator workstation.

PubMed

Huang, Hayden; Dong, Chen Y; Kwon, Hyuk-Sang; Sutin, Jason D; Kamm, Roger D; So, Peter T C

2002-04-01

The ability to apply quantifiable mechanical stresses at the microscopic scale is critical for studying cellular responses to mechanical forces. This necessitates the use of force transducers that can apply precisely controlled forces to cells while monitoring the responses noninvasively. This paper describes the development of a micromanipulation workstation integrating two-photon, three-dimensional imaging with a high-force, uniform-gradient magnetic manipulator. The uniform-gradient magnetic field applies nearly uniform forces to a large cell population, permitting statistical quantification of select molecular responses to mechanical stresses. The magnetic transducer design is capable of exerting over 200 pN of force on 4.5-microm-diameter paramagnetic particles and over 800 pN on 5.0-microm ferromagnetic particles. These forces vary within +/-10% over an area 500 x 500 microm2. The compatibility with the use of high numerical aperture (approximately 1.0) objectives is an integral part of the workstation design allowing submicron-resolution, three-dimensional, two-photon imaging. Three-dimensional analyses of cellular deformation under localized mechanical strain are reported. These measurements indicate that the response of cells to large focal stresses may contain three-dimensional global deformations and show the suitability of this workstation to further studying cellular response to mechanical stresses.

Heat transfer of phase-change materials in two-dimensional cylindrical coordinates

NASA Technical Reports Server (NTRS)

Labdon, M. B.; Guceri, S. I.

1981-01-01

Two-dimensional phase-change problem is numerically solved in cylindrical coordinates (r and z) by utilizing two Taylor series expansions for the temperature distributions in the neighborhood of the interface location. These two expansions form two polynomials in r and z directions. For the regions sufficiently away from the interface the temperature field equations are numerically solved in the usual way and the results are coupled with the polynomials. The main advantages of this efficient approach include ability to accept arbitrarily time dependent boundary conditions of all types and arbitrarily specified initial temperature distributions. A modified approach using a single Taylor series expansion in two variables is also suggested.

A combined finite element-boundary element formulation for solution of two-dimensional problems via CGFFT

NASA Technical Reports Server (NTRS)

Collins, Jeffery D.; Jin, Jian-Ming; Volakis, John L.

1990-01-01

A method for the computation of electromagnetic scattering from arbitrary two-dimensional bodies is presented. The method combines the finite element and boundary element methods leading to a system for solution via the conjugate gradient Fast Fourier Transform (FFT) algorithm. Two forms of boundaries aimed at reducing the storage requirement of the boundary integral are investigated. It is shown that the boundary integral becomes convolutional when a circular enclosure is chosen, resulting in reduced storage requirement when the system is solved via the conjugate gradient FFT method. The same holds for the ogival enclosure, except that some of the boundary integrals are not convolutional and must be carefully treated to maintain O(N) memory requirement. Results for several circular and ogival structures are presented and shown to be in excellent agreement with those obtained by traditional methods.

Thermoplasticity of coupled bodies in the case of stress-dependent heat transfer

NASA Technical Reports Server (NTRS)

Kilikovskaya, O. A.

1987-01-01

The problem of the thermal stresses in coupled deformable bodies is formulated for the case where the heat-transfer coefficient at the common boundary depends on the stress-strain state of the bodies (e.g., is a function of the normal pressure at the common boundary). Several one-dimensional problems are solved in this formulation. Among these problems is the determination of the thermal stresses in an n-layer plate and in a two-layer cylinder.

Aspects of Higher Spin Symmetry and its Breaking

NASA Astrophysics Data System (ADS)

Zhiboedov, Alexander

This thesis explores different aspects of higher spin symmetry and its breaking in the context of Quantum Field Theory, AdS/CFT and String Theory. In chapter 2, we study the constraints imposed by the existence of a single higher spin conserved current on a three-dimensional conformal field theory (CFT). A single higher spin conserved current implies the existence of an infinite number of higher spin conserved currents. The correlation functions of the stress tensor and the conserved currents are then shown to be equal to those of a free field theory. Namely a theory of N free bosons or free fermions. This is an extension of the Coleman-Mandula theorem to CFT's, which do not have a conventional S-matrix. In chapter 3, we consider three-dimensional conformal field theories that have a higher spin symmetry that is slightly broken. The theories have a large N limit, in the sense that the operators separate into single-trace and multi-trace and obey the usual large N factorization properties. We assume that the only single trace operators are the higher spin currents plus an additional scalar. Using the slightly broken higher spin symmetry we constrain the three-point functions of the theories to leading order in N. We show that there are two families of solutions. One family can be realized as a theory of N fermions with an O( N) Chern-Simons gauge field, the other as a N bosons plus the Chern-Simons gauge field. In chapter 4, we consider several aspects of unitary higher-dimensional conformal field theories. We investigate the dimensions of spinning operators via the crossing equations in the light-cone limit. We find that, in a sense, CFTs become free at large spin and 1/s is a weak coupling parameter. The spectrum of CFTs enjoys additivity: if two twists tau 1, tau2 appear in the spectrum, there are operators whose twists are arbitrarily close to tau1 + tau2. We characterize how tau1 + tau2 is approached at large spin by solving the crossing equations analytically. Applications include the 3d Ising model, theories with a gravity dual, SCFTs, and patterns of higher spin symmetry breaking. In chapter 5, we consider higher derivative corrections to the graviton three-point coupling within a weakly coupled theory of gravity. We devise a thought experiment involving a high energy scattering process which leads to causality violation if the graviton three-point vertex contains the additional structures. This violation cannot be fixed by adding conventional particles with spins J ≤ 2. But, it can be fixed by adding an infinite tower of extra massive particles with higher spins, J > 2. In AdS theories this implies a constraint on the conformal anomaly coefficients (a-c)/c lesssim 1/Delta gap2 in terms of Deltagap, the dimension of the lightest single particle operator with spin J > 2. For inflation, or de Sitter-like solutions, it indicates the existence of massive higher spin particles if the gravity wave non-gaussianity deviates significantly from the one computed in the Einstein theory.

Local polynomial chaos expansion for linear differential equations with high dimensional random inputs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Yi; Jakeman, John; Gittelson, Claude

2015-01-08

In this paper we present a localized polynomial chaos expansion for partial differential equations (PDE) with random inputs. In particular, we focus on time independent linear stochastic problems with high dimensional random inputs, where the traditional polynomial chaos methods, and most of the existing methods, incur prohibitively high simulation cost. Furthermore, the local polynomial chaos method employs a domain decomposition technique to approximate the stochastic solution locally. In each subdomain, a subdomain problem is solved independently and, more importantly, in a much lower dimensional random space. In a postprocesing stage, accurate samples of the original stochastic problems are obtained frommore » the samples of the local solutions by enforcing the correct stochastic structure of the random inputs and the coupling conditions at the interfaces of the subdomains. Overall, the method is able to solve stochastic PDEs in very large dimensions by solving a collection of low dimensional local problems and can be highly efficient. In our paper we present the general mathematical framework of the methodology and use numerical examples to demonstrate the properties of the method.« less

Two-dimensional integrating matrices on rectangular grids. [solving differential equations associated with rotating structures

NASA Technical Reports Server (NTRS)

Lakin, W. D.

1981-01-01

The use of integrating matrices in solving differential equations associated with rotating beam configurations is examined. In vibration problems, by expressing the equations of motion of the beam in matrix notation, utilizing the integrating matrix as an operator, and applying the boundary conditions, the spatial dependence is removed from the governing partial differential equations and the resulting ordinary differential equations can be cast into standard eigenvalue form. Integrating matrices are derived based on two dimensional rectangular grids with arbitrary grid spacings allowed in one direction. The derivation of higher dimensional integrating matrices is the initial step in the generalization of the integrating matrix methodology to vibration and stability problems involving plates and shells.

Numerical solution for the interaction of shock wave with laminar boundary layer in two-dimensional flow on a flat plate. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Landau, U.

1984-01-01

The finite difference computation method was investigated for solving problems of interaction between a shock wave and a laminar boundary layer, through solution of the complete Navier-Stokes equations. This method provided excellent solutions, was simple to perform and needed a relatively short solution time. A large number of runs for various flow conditions could be carried out from which the interaction characteristics and principal factors that influence interaction could be studied.

Tidal Response of Europa's Subsurface Ocean

NASA Astrophysics Data System (ADS)

Karatekin, O.; Comblen, R.; Deleersnijder, E.; Dehant, V. M.

2010-12-01

Time-variable tides in the subsurface oceans of icy satellites cause large periodic surface displacements and tidal dissipation can become a major energy source that can affect long-term orbital and internal evolution. In the present study, we investigate the response of the subsurface ocean of Europa to a time-varibale tidal potential. Two-dimensional nonlinear shallow water equations are solved on a sphere by means of a finite element code. The resulting ocean tidal flow velocities,dissipation and surface displacements will be presented.

Triangular node for Transmission-Line Modeling (TLM) applied to bio-heat transfer.

PubMed

Milan, Hugo F M; Gebremedhin, Kifle G

2016-12-01

Transmission-Line Modeling (TLM) is a numerical method used to solve complex and time-domain bio-heat transfer problems. In TLM, rectangles are used to discretize two-dimensional problems. The drawback in using rectangular shapes is that instead of refining only the domain of interest, a large additional domain will also be refined in the x and y axes, which results in increased computational time and memory space. In this paper, we developed a triangular node for TLM applied to bio-heat transfer that does not have the drawback associated with the rectangular nodes. The model includes heat source, blood perfusion (advection), boundary conditions and initial conditions. The boundary conditions could be adiabatic, temperature, heat flux, or convection. A matrix equation for TLM, which simplifies the solution of time-domain problems or solves steady-state problems, was also developed. The predicted results were compared against results obtained from the solution of a simplified two-dimensional problem, and they agreed within 1% for a mesh length of triangular faces of 59µm±9µm (mean±standard deviation) and a time step of 1ms. Copyright © 2016 Elsevier Ltd. All rights reserved.

Accurate D-bar Reconstructions of Conductivity Images Based on a Method of Moment with Sinc Basis.

PubMed

Abbasi, Mahdi

2014-01-01

Planar D-bar integral equation is one of the inverse scattering solution methods for complex problems including inverse conductivity considered in applications such as Electrical impedance tomography (EIT). Recently two different methodologies are considered for the numerical solution of D-bar integrals equation, namely product integrals and multigrid. The first one involves high computational burden and the other one suffers from low convergence rate (CR). In this paper, a novel high speed moment method based using the sinc basis is introduced to solve the two-dimensional D-bar integral equation. In this method, all functions within D-bar integral equation are first expanded using the sinc basis functions. Then, the orthogonal properties of their products dissolve the integral operator of the D-bar equation and results a discrete convolution equation. That is, the new moment method leads to the equation solution without direct computation of the D-bar integral. The resulted discrete convolution equation maybe adapted to a suitable structure to be solved using fast Fourier transform. This allows us to reduce the order of computational complexity to as low as O (N (2)log N). Simulation results on solving D-bar equations arising in EIT problem show that the proposed method is accurate with an ultra-linear CR.

A Comparison of Simplified Two-dimensional Flow Models Exemplified by Water Flow in a Cavern

NASA Astrophysics Data System (ADS)

Prybytak, Dzmitry; Zima, Piotr

2017-12-01

The paper shows the results of a comparison of simplified models describing a two-dimensional water flow in the example of a water flow through a straight channel sector with a cavern. The following models were tested: the two-dimensional potential flow model, the Stokes model and the Navier-Stokes model. In order to solve the first two, the boundary element method was employed, whereas to solve the Navier-Stokes equations, the open-source code library OpenFOAM was applied. The results of numerical solutions were compared with the results of measurements carried out on a test stand in a hydraulic laboratory. The measurements were taken with an ADV probe (Acoustic Doppler Velocimeter). Finally, differences between the results obtained from the mathematical models and the results of laboratory measurements were analysed.

A study of trends and techniques for space base electronics

NASA Technical Reports Server (NTRS)

Trotter, J. D.; Wade, T. E.; Gassaway, J. D.

1979-01-01

The use of dry processing and alternate dielectrics for processing wafers is reported. A two dimensional modeling program was written for the simulation of short channel MOSFETs with nonuniform substrate doping. A key simplifying assumption used is that the majority carriers can be represented by a sheet charge at the silicon dioxide-silicon interface. In solving current continuity equation, the program does not converge. However, solving the two dimensional Poisson equation for the potential distribution was achieved. The status of other 2D MOSFET simulation programs are summarized.

The dynamics and control of large flexible space structures - 13

NASA Technical Reports Server (NTRS)

Bainum, Peter M.; Li, Feiyue; Xu, Jianke

1990-01-01

The optimal control of three-dimensional large angle maneuvers and vibrations of a Shuttle-mast-reflector system is considered. The nonlinear equations of motion are formulated by using Lagrange's formula, with the mast modeled as a continuous beam subject to three-dimensional deformations. Pontryagin's Maximum Principle is applied to the slewing problem, to derive the necessary conditions for the optimal controls, which are bounded by given saturation levels. The resulting two point boundary value problem is then solved by using the quasilinearization algorithm and the method of particular solutions. The study of the large angle maneuvering of the Shuttle-beam-reflector spacecraft in the plane of a circular earth orbit is extended to consider the effects of the structural offset connection, the axial shortening, and the gravitational torque on the slewing motion. Finally the effect of additional design parameters (such as related to additional payload requirement) on the linear quadratic regulator based design of an orbiting control/structural system is examined.

Numerical Modeling of Three-Dimensional Fluid Flow with Phase Change

NASA Technical Reports Server (NTRS)

Esmaeeli, Asghar; Arpaci, Vedat

1999-01-01

We present a numerical method to compute phase change dynamics of three-dimensional deformable bubbles. The full Navier-Stokes and energy equations are solved for both phases by a front tracking/finite difference technique. The fluid boundary is explicitly tracked by discrete points that are connected by triangular elements to form a front that is used to keep the stratification of material properties sharp and to calculate the interfacial source terms. Two simulations are presented to show robustness of the method in handling complex phase boundaries. In the first case, growth of a vapor bubble in zero gravity is studied where large volume increase of the bubble is managed by adaptively increasing the front resolution. In the second case, growth of a bubble under high gravity is studied where indentation at the rear of the bubble results in a region of large curvature which challenges the front tracking in three dimensions.

Two dimensional analytical model for a reconfigurable field effect transistor

NASA Astrophysics Data System (ADS)

Ranjith, R.; Jayachandran, Remya; Suja, K. J.; Komaragiri, Rama S.

2018-02-01

This paper presents two-dimensional potential and current models for a reconfigurable field effect transistor (RFET). Two potential models which describe subthreshold and above-threshold channel potentials are developed by solving two-dimensional (2D) Poisson's equation. In the first potential model, 2D Poisson's equation is solved by considering constant/zero charge density in the channel region of the device to get the subthreshold potential characteristics. In the second model, accumulation charge density is considered to get above-threshold potential characteristics of the device. The proposed models are applicable for the device having lightly doped or intrinsic channel. While obtaining the mathematical model, whole body area is divided into two regions: gated region and un-gated region. The analytical models are compared with technology computer-aided design (TCAD) simulation results and are in complete agreement for different lengths of the gated regions as well as at various supply voltage levels.

Noncommutative quantum mechanics

NASA Astrophysics Data System (ADS)

Gamboa, J.; Loewe, M.; Rojas, J. C.

2001-09-01

A general noncommutative quantum mechanical system in a central potential V=V(r) in two dimensions is considered. The spectrum is bounded from below and, for large values of the anticommutative parameter θ, we find an explicit expression for the eigenvalues. In fact, any quantum mechanical system with these characteristics is equivalent to a commutative one in such a way that the interaction V(r) is replaced by V=V(HHO,Lz), where HHO is the Hamiltonian of the two-dimensional harmonic oscillator and Lz is the z component of the angular momentum. For other finite values of θ the model can be solved by using perturbation theory.

Mixing Regimes in a Spatially Confined, Two-Dimensional, Supersonic Shear Layer

DTIC Science & Technology

1992-07-31

MODEL ................................... 3 THE MODEL PROBLEMS .............................................. 6 THE ONE-DIMENSIONAL PROBLEM...the effects of the numerical diffusion on the spectrum. Guirguis et al.ś and Farouk et al."’ have studied spatially evolving mixing layers for equal...approximations. Physical and Numerical Model General Formulation We solve the time-dependent, two-dimensional, compressible, Navier-Stokes equations for a

von Kármán-Howarth equation for three-dimensional two-fluid plasmas.

PubMed

Andrés, N; Mininni, P D; Dmitruk, P; Gómez, D O

2016-06-01

We derive the von Kármán-Howarth equation for a full three-dimensional incompressible two-fluid plasma. In the long-time limit and for very large Reynolds numbers we obtain the equivalent of the hydrodynamic "four-fifths" law. This exact law predicts the scaling of the third-order two-point correlation functions, and puts a strong constraint on the plasma turbulent dynamics. Finally, we derive a simple expression for the 4/5 law in terms of third-order structure functions, which is appropriate for comparison with in situ measurements in the solar wind at different spatial ranges.

Numerical method for solution of systems of non-stationary spatially one-dimensional nonlinear differential equations

NASA Technical Reports Server (NTRS)

Morozov, S. K.; Krasitskiy, O. P.

1978-01-01

A computational scheme and a standard program is proposed for solving systems of nonstationary spatially one-dimensional nonlinear differential equations using Newton's method. The proposed scheme is universal in its applicability and its reduces to a minimum the work of programming. The program is written in the FORTRAN language and can be used without change on electronic computers of type YeS and BESM-6. The standard program described permits the identification of nonstationary (or stationary) solutions to systems of spatially one-dimensional nonlinear (or linear) partial differential equations. The proposed method may be used to solve a series of geophysical problems which take chemical reactions, diffusion, and heat conductivity into account, to evaluate nonstationary thermal fields in two-dimensional structures when in one of the geometrical directions it can take a small number of discrete levels, and to solve problems in nonstationary gas dynamics.

Multigrid calculation of three-dimensional turbomachinery flows

NASA Technical Reports Server (NTRS)

Caughey, David A.

1989-01-01

Research was performed in the general area of computational aerodynamics, with particular emphasis on the development of efficient techniques for the solution of the Euler and Navier-Stokes equations for transonic flows through the complex blade passages associated with turbomachines. In particular, multigrid methods were developed, using both explicit and implicit time-stepping schemes as smoothing algorithms. The specific accomplishments of the research have included: (1) the development of an explicit multigrid method to solve the Euler equations for three-dimensional turbomachinery flows based upon the multigrid implementation of Jameson's explicit Runge-Kutta scheme (Jameson 1983); (2) the development of an implicit multigrid scheme for the three-dimensional Euler equations based upon lower-upper factorization; (3) the development of a multigrid scheme using a diagonalized alternating direction implicit (ADI) algorithm; (4) the extension of the diagonalized ADI multigrid method to solve the Euler equations of inviscid flow for three-dimensional turbomachinery flows; and also (5) the extension of the diagonalized ADI multigrid scheme to solve the Reynolds-averaged Navier-Stokes equations for two-dimensional turbomachinery flows.

First and second sound in a two-dimensional harmonically trapped Bose gas across the Berezinskii–Kosterlitz–Thouless transition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Xia-Ji, E-mail: xiajiliu@swin.edu.au; Hu, Hui, E-mail: hhu@swin.edu.au

2014-12-15

We theoretically investigate first and second sound of a two-dimensional (2D) atomic Bose gas in harmonic traps by solving Landau’s two-fluid hydrodynamic equations. For an isotropic trap, we find that first and second sound modes become degenerate at certain temperatures and exhibit typical avoided crossings in mode frequencies. At these temperatures, second sound has significant density fluctuation due to its hybridization with first sound and has a divergent mode frequency towards the Berezinskii–Kosterlitz–Thouless (BKT) transition. For a highly anisotropic trap, we derive the simplified one-dimensional hydrodynamic equations and discuss the sound-wave propagation along the weakly confined direction. Due to themore » universal jump of the superfluid density inherent to the BKT transition, we show that the first sound velocity exhibits a kink across the transition. These predictions might be readily examined in current experimental setups for 2D dilute Bose gases with a sufficiently large number of atoms, where the finite-size effect due to harmonic traps is relatively weak.« less

Quantum integrability and functional equations

NASA Astrophysics Data System (ADS)

Volin, Dmytro

2010-03-01

In this thesis a general procedure to represent the integral Bethe Ansatz equations in the form of the Reimann-Hilbert problem is given. This allows us to study in simple way integrable spin chains in the thermodynamic limit. Based on the functional equations we give the procedure that allows finding the subleading orders in the solution of various integral equations solved to the leading order by the Wiener-Hopf technics. The integral equations are studied in the context of the AdS/CFT correspondence, where their solution allows verification of the integrability conjecture up to two loops of the strong coupling expansion. In the context of the two-dimensional sigma models we analyze the large-order behavior of the asymptotic perturbative expansion. Obtained experience with the functional representation of the integral equations allowed us also to solve explicitly the crossing equations that appear in the AdS/CFT spectral problem.

Fast, Nonlinear, Fully Probabilistic Inversion of Large Geophysical Problems

NASA Astrophysics Data System (ADS)

Curtis, A.; Shahraeeni, M.; Trampert, J.; Meier, U.; Cho, G.

2010-12-01

Almost all Geophysical inverse problems are in reality nonlinear. Fully nonlinear inversion including non-approximated physics, and solving for probability distribution functions (pdf’s) that describe the solution uncertainty, generally requires sampling-based Monte-Carlo style methods that are computationally intractable in most large problems. In order to solve such problems, physical relationships are usually linearized leading to efficiently-solved, (possibly iterated) linear inverse problems. However, it is well known that linearization can lead to erroneous solutions, and in particular to overly optimistic uncertainty estimates. What is needed across many Geophysical disciplines is a method to invert large inverse problems (or potentially tens of thousands of small inverse problems) fully probabilistically and without linearization. This talk shows how very large nonlinear inverse problems can be solved fully probabilistically and incorporating any available prior information using mixture density networks (driven by neural network banks), provided the problem can be decomposed into many small inverse problems. In this talk I will explain the methodology, compare multi-dimensional pdf inversion results to full Monte Carlo solutions, and illustrate the method with two applications: first, inverting surface wave group and phase velocities for a fully-probabilistic global tomography model of the Earth’s crust and mantle, and second inverting industrial 3D seismic data for petrophysical properties throughout and around a subsurface hydrocarbon reservoir. The latter problem is typically decomposed into 104 to 105 individual inverse problems, each solved fully probabilistically and without linearization. The results in both cases are sufficiently close to the Monte Carlo solution to exhibit realistic uncertainty, multimodality and bias. This provides far greater confidence in the results, and in decisions made on their basis.

Flow past a rotating cylinder

NASA Astrophysics Data System (ADS)

Mittal, Sanjay; Kumar, Bhaskar

2003-02-01

Flow past a spinning circular cylinder placed in a uniform stream is investigated via two-dimensional computations. A stabilized finite element method is utilized to solve the incompressible Navier Stokes equations in the primitive variables formulation. The Reynolds number based on the cylinder diameter and free-stream speed of the flow is 200. The non-dimensional rotation rate, [alpha] (ratio of the surface speed and freestream speed), is varied between 0 and 5. The time integration of the flow equations is carried out for very large dimensionless time. Vortex shedding is observed for [alpha] < 1.91. For higher rotation rates the flow achieves a steady state except for 4.34 < [alpha] < 4:70 where the flow is unstable again. In the second region of instability, only one-sided vortex shedding takes place. To ascertain the instability of flow as a function of [alpha] a stabilized finite element formulation is proposed to carry out a global, non-parallel stability analysis of the two-dimensional steady-state flow for small disturbances. The formulation and its implementation are validated by predicting the Hopf bifurcation for flow past a non-rotating cylinder. The results from the stability analysis for the rotating cylinder are in very good agreement with those from direct numerical simulations. For large rotation rates, very large lift coefficients can be obtained via the Magnus effect. However, the power requirement for rotating the cylinder increases rapidly with rotation rate.

Effect of curvature on stationary crossflow instability of a three-dimensional boundary layer

NASA Technical Reports Server (NTRS)

Lin, Ray-Sing; Reed, Helen L.

1993-01-01

An incompressible three-dimensional laminar boundary-layer flow over a swept wing is used as a model to study both the wall-curvature and streamline-curvature effects on the stationary crossflow instability. The basic state is obtained by solving the full Navier-Stokes (N-S) equations numerically. The linear disturbance equations are cast on a fixed, body-intrinsic, curvilinear coordinate system. Those nonparallel terms which contribute mainly to the streamline-curvature effect are retained in the formulation of the disturbance equations and approximated by their local finite difference values. The resulting eigenvalue problem is solved by a Chebyshev collocation method. The present results indicate that the convex wall curvature has a stabilizing effect, whereas the streamline curvature has a destabilizing effect. A validation of these effects with an N-S solution for the linear disturbance flow is provided.

Semi-implicit finite difference methods for three-dimensional shallow water flow

USGS Publications Warehouse

Casulli, Vincenzo; Cheng, Ralph T.

1992-01-01

A semi-implicit finite difference method for the numerical solution of three-dimensional shallow water flows is presented and discussed. The governing equations are the primitive three-dimensional turbulent mean flow equations where the pressure distribution in the vertical has been assumed to be hydrostatic. In the method of solution a minimal degree of implicitness has been adopted in such a fashion that the resulting algorithm is stable and gives a maximal computational efficiency at a minimal computational cost. At each time step the numerical method requires the solution of one large linear system which can be formally decomposed into a set of small three-diagonal systems coupled with one five-diagonal system. All these linear systems are symmetric and positive definite. Thus the existence and uniquencess of the numerical solution are assured. When only one vertical layer is specified, this method reduces as a special case to a semi-implicit scheme for solving the corresponding two-dimensional shallow water equations. The resulting two- and three-dimensional algorithm has been shown to be fast, accurate and mass-conservative and can also be applied to simulate flooding and drying of tidal mud-flats in conjunction with three-dimensional flows. Furthermore, the resulting algorithm is fully vectorizable for an efficient implementation on modern vector computers.

A new extrapolation cascadic multigrid method for three dimensional elliptic boundary value problems

NASA Astrophysics Data System (ADS)

Pan, Kejia; He, Dongdong; Hu, Hongling; Ren, Zhengyong

2017-09-01

In this paper, we develop a new extrapolation cascadic multigrid method, which makes it possible to solve three dimensional elliptic boundary value problems with over 100 million unknowns on a desktop computer in half a minute. First, by combining Richardson extrapolation and quadratic finite element (FE) interpolation for the numerical solutions on two-level of grids (current and previous grids), we provide a quite good initial guess for the iterative solution on the next finer grid, which is a third-order approximation to the FE solution. And the resulting large linear system from the FE discretization is then solved by the Jacobi-preconditioned conjugate gradient (JCG) method with the obtained initial guess. Additionally, instead of performing a fixed number of iterations as used in existing cascadic multigrid methods, a relative residual tolerance is introduced in the JCG solver, which enables us to obtain conveniently the numerical solution with the desired accuracy. Moreover, a simple method based on the midpoint extrapolation formula is proposed to achieve higher-order accuracy on the finest grid cheaply and directly. Test results from four examples including two smooth problems with both constant and variable coefficients, an H3-regular problem as well as an anisotropic problem are reported to show that the proposed method has much better efficiency compared to the classical V-cycle and W-cycle multigrid methods. Finally, we present the reason why our method is highly efficient for solving these elliptic problems.

Fermion-induced quantum critical points in two-dimensional Dirac semimetals

NASA Astrophysics Data System (ADS)

Jian, Shao-Kai; Yao, Hong

2017-11-01

In this paper we investigate the nature of quantum phase transitions between two-dimensional Dirac semimetals and Z3-ordered phases (e.g., Kekule valence-bond solid), where cubic terms of the order parameter are allowed in the quantum Landau-Ginzberg theory and the transitions are putatively first order. From large-N renormalization-group (RG) analysis, we find that fermion-induced quantum critical points (FIQCPs) [Z.-X. Li et al., Nat. Commun. 8, 314 (2017), 10.1038/s41467-017-00167-6] occur when N (the number of flavors of four-component Dirac fermions) is larger than a critical value Nc. Remarkably, from the knowledge of space-time supersymmetry, we obtain an exact lower bound for Nc, i.e., Nc>1 /2 . (Here the "1/2" flavor of four-component Dirac fermions is equivalent to one flavor of four-component Majorana fermions). Moreover, we show that the emergence of two length scales is a typical phenomenon of FIQCPs and obtain two different critical exponents, i.e., ν ≠ν' , by large-N RG calculations. We further give a brief discussion of possible experimental realizations of FIQCPs.

A two-dimensional kinematic dynamo model of the ionospheric magnetic field at Venus

NASA Technical Reports Server (NTRS)

Cravens, T. E.; Wu, D.; Shinagawa, H.

1990-01-01

The results of a high-resolution, two-dimensional, time dependent, kinematic dynamo model of the ionospheric magnetic field of Venus are presented. Various one-dimensional models are considered and the two-dimensional model is then detailed. In this model, the two-dimensional magnetic induction equation, the magnetic diffusion-convection equation, is numerically solved using specified plasma velocities. Origins of the vertical velocity profile and of the horizontal velocities are discussed. It is argued that the basic features of the vertical magnetic field profile remain unaltered by horizontal flow effects and also that horizontal plasma flow can strongly affect the magnetic field for altitudes above 300 km.

Numerical simulations of the superdetonative ram accelerator combusting flow field

NASA Technical Reports Server (NTRS)

Soetrisno, Moeljo; Imlay, Scott T.; Roberts, Donald W.

1993-01-01

The effects of projectile canting and fins on the ram accelerator combusting flowfield and the possible cause of the ram accelerator unstart are investigated by performing axisymmetric, two-dimensional, and three-dimensional calculations. Calculations are performed using the INCA code for solving Navier-Stokes equations and a guasi-global combustion model of Westbrook and Dryer (1981, 1984), which includes N2 and nine reacting species (CH4, CO, CO2, H2, H, O2, O, OH, and H2O), which are allowed to undergo a 12-step reaction. It is found that, without canting, interactions between the fins, boundary layers, and combustion fronts are insufficient to unstart the projectile at superdetonative velocities. With canting, the projectile will unstart at flow conditions where it appears to accelerate without canting. Unstart occurs at some critical canting angle. It is also found that three-dimensionality plays an important role in the overall combustion process.

Vector form Intrinsic Finite Element Method for the Two-Dimensional Analysis of Marine Risers with Large Deformations

NASA Astrophysics Data System (ADS)

Li, Xiaomin; Guo, Xueli; Guo, Haiyan

2018-06-01

Robust numerical models that describe the complex behaviors of risers are needed because these constitute dynamically sensitive systems. This paper presents a simple and efficient algorithm for the nonlinear static and dynamic analyses of marine risers. The proposed approach uses the vector form intrinsic finite element (VFIFE) method, which is based on vector mechanics theory and numerical calculation. In this method, the risers are described by a set of particles directly governed by Newton's second law and are connected by weightless elements that can only resist internal forces. The method does not require the integration of the stiffness matrix, nor does it need iterations to solve the governing equations. Due to these advantages, the method can easily increase or decrease the element and change the boundary conditions, thus representing an innovative concept of solving nonlinear behaviors, such as large deformation and large displacement. To prove the feasibility of the VFIFE method in the analysis of the risers, rigid and flexible risers belonging to two different categories of marine risers, which usually have differences in modeling and solving methods, are employed in the present study. In the analysis, the plane beam element is adopted in the simulation of interaction forces between the particles and the axial force, shear force, and bending moment are also considered. The results are compared with the conventional finite element method (FEM) and those reported in the related literature. The findings revealed that both the rigid and flexible risers could be modeled in a similar unified analysis model and that the VFIFE method is feasible for solving problems related to the complex behaviors of marine risers.

Ultrahigh-Dimensional Multiclass Linear Discriminant Analysis by Pairwise Sure Independence Screening

PubMed Central

Pan, Rui; Wang, Hansheng; Li, Runze

2016-01-01

This paper is concerned with the problem of feature screening for multi-class linear discriminant analysis under ultrahigh dimensional setting. We allow the number of classes to be relatively large. As a result, the total number of relevant features is larger than usual. This makes the related classification problem much more challenging than the conventional one, where the number of classes is small (very often two). To solve the problem, we propose a novel pairwise sure independence screening method for linear discriminant analysis with an ultrahigh dimensional predictor. The proposed procedure is directly applicable to the situation with many classes. We further prove that the proposed method is screening consistent. Simulation studies are conducted to assess the finite sample performance of the new procedure. We also demonstrate the proposed methodology via an empirical analysis of a real life example on handwritten Chinese character recognition. PMID:28127109

The status of analytical preparation for 2-dimensional testing at high transonic speeds in the University of Southampton transonic self-streamlining wind tunnel

NASA Technical Reports Server (NTRS)

Lewis, M. C.

1984-01-01

Validation data from the Transonic Self-Streamlining Wind Tunnel has proved the feasibility of streamlining two dimensional flexible walls at low speeds and up to transonic speeds, the upper limit being the speed where the flexible walls are just supercritical. At this condition, breakdown of the wall setting strategy is evident in that convergence is neither as rapid nor as stable as for lower speeds, and wall streamlining criteria are not always completely satisfied. The only major step necessary to permit the extension of two dimensional testing into higher transonic speeds is the provision of a rapid algorithm to solve for mixed flow in the imagery flow fields. The status of two dimensional high transonic testing in the Transonic Self-Streamlining Wind Tunnel is outlined and, in particular, the progress of adapting an algorithm, which solves the Transonic Small Perturbation Equation, for predicting the imagery flow fields is detailed.

The Effect of Multigrid Parameters in a 3D Heat Diffusion Equation

NASA Astrophysics Data System (ADS)

Oliveira, F. De; Franco, S. R.; Pinto, M. A. Villela

2018-02-01

The aim of this paper is to reduce the necessary CPU time to solve the three-dimensional heat diffusion equation using Dirichlet boundary conditions. The finite difference method (FDM) is used to discretize the differential equations with a second-order accuracy central difference scheme (CDS). The algebraic equations systems are solved using the lexicographical and red-black Gauss-Seidel methods, associated with the geometric multigrid method with a correction scheme (CS) and V-cycle. Comparisons are made between two types of restriction: injection and full weighting. The used prolongation process is the trilinear interpolation. This work is concerned with the study of the influence of the smoothing value (v), number of mesh levels (L) and number of unknowns (N) on the CPU time, as well as the analysis of algorithm complexity.

Effect of 10B isotope and vacancy defects on the phonon modes of two-dimensional hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Sherajul Islam, Md.; Anindya, Khalid N.; Bhuiyan, Ashraful G.; Tanaka, Satoru; Makino, Takayuki; Hashimoto, Akihiro

2018-02-01

We report the details of the effects of the 10B isotope and those of B and N vacancies combined with the isotope on the phonon modes of two-dimensional hexagonal boron nitride (h-BN). The phonon density of states and localization problems are solved using the forced vibrational method, which is suitable for an intricate and disordered system. We observe an upward shift of Raman-active E2g-mode optical phonons (32 cm-1) for a 100% 10B isotope, which matches well with the experiment and simple harmonic oscillator model. However, a downward shift of E2g-mode phonons is observed for B or N vacancies and the combination of the isotope and vacancy-type disordered BN. Strong localized eigenmodes are found for all types of defects, and a typical localization length is on the order of ˜7 nm for naturally occurring BN samples. These results are very important for understanding the heat dissipation and electron transport properties of BN-based nanoelectronics.

Linear complementarity formulation for 3D frictional sliding problems

USGS Publications Warehouse

Kaven, Joern; Hickman, Stephen H.; Davatzes, Nicholas C.; Mutlu, Ovunc

2012-01-01

Frictional sliding on quasi-statically deforming faults and fractures can be modeled efficiently using a linear complementarity formulation. We review the formulation in two dimensions and expand the formulation to three-dimensional problems including problems of orthotropic friction. This formulation accurately reproduces analytical solutions to static Coulomb friction sliding problems. The formulation accounts for opening displacements that can occur near regions of non-planarity even under large confining pressures. Such problems are difficult to solve owing to the coupling of relative displacements and tractions; thus, many geomechanical problems tend to neglect these effects. Simple test cases highlight the importance of including friction and allowing for opening when solving quasi-static fault mechanics models. These results also underscore the importance of considering the effects of non-planarity in modeling processes associated with crustal faulting.

Deconstruction of the Maldacena Núñez compactification

NASA Astrophysics Data System (ADS)

Andrews, R. P.; Dorey, N.

2006-09-01

We demonstrate a classical equivalence between the large- N limit of the higgsed N=1 SUSY U(N) Yang-Mills theory and the Maldacena-Núñez twisted compactification of a six-dimensional gauge theory on a two-sphere. A direct comparison of the actions and spectra of the two theories reveals them to be identical. We also propose a gauge theory limit which should describe the corresponding spherical compactification of little string theory.

Computationally efficient method for optical simulation of solar cells and their applications

NASA Astrophysics Data System (ADS)

Semenikhin, I.; Zanuccoli, M.; Fiegna, C.; Vyurkov, V.; Sangiorgi, E.

2013-01-01

This paper presents two novel implementations of the Differential method to solve the Maxwell equations in nanostructured optoelectronic solid state devices. The first proposed implementation is based on an improved and computationally efficient T-matrix formulation that adopts multiple-precision arithmetic to tackle the numerical instability problem which arises due to evanescent modes. The second implementation adopts the iterative approach that allows to achieve low computational complexity O(N logN) or better. The proposed algorithms may work with structures with arbitrary spatial variation of the permittivity. The developed two-dimensional numerical simulator is applied to analyze the dependence of the absorption characteristics of a thin silicon slab on the morphology of the front interface and on the angle of incidence of the radiation with respect to the device surface.

Electrostatics of two-dimensional lateral junctions.

PubMed

Chaves, Ferney A; Jiménez, David

2018-07-06

The increasing technological control of two-dimensional (2D) materials has allowed the demonstration of 2D lateral junctions exhibiting unique properties that might serve as the basis for a new generation of 2D electronic and optoelectronic devices. Notably, the chemically doped MoS 2 homojunction, the WSe 2 -MoS 2 monolayer and MoS 2 monolayer/multilayer heterojunctions, have been demonstrated. Here we report the investigation of 2D lateral junction electrostatics, which differs from the bulk case because of the weaker screening, producing a much longer transition region between the space-charge region and the quasi-neutral region, making inappropriate the use of the complete-depletion region approximation. For such a purpose we have developed a method based on the conformal mapping technique to solve the 2D electrostatics, widely applicable to every kind of junctions, giving accurate results for even large asymmetric charge distribution scenarios.

Electrostatics of two-dimensional lateral junctions

NASA Astrophysics Data System (ADS)

Chaves, Ferney A.; Jiménez, David

2018-07-01

The increasing technological control of two-dimensional (2D) materials has allowed the demonstration of 2D lateral junctions exhibiting unique properties that might serve as the basis for a new generation of 2D electronic and optoelectronic devices. Notably, the chemically doped MoS2 homojunction, the WSe2-MoS2 monolayer and MoS2 monolayer/multilayer heterojunctions, have been demonstrated. Here we report the investigation of 2D lateral junction electrostatics, which differs from the bulk case because of the weaker screening, producing a much longer transition region between the space-charge region and the quasi-neutral region, making inappropriate the use of the complete-depletion region approximation. For such a purpose we have developed a method based on the conformal mapping technique to solve the 2D electrostatics, widely applicable to every kind of junctions, giving accurate results for even large asymmetric charge distribution scenarios.

Arbitrarily high-order time-stepping schemes based on the operator spectrum theory for high-dimensional nonlinear Klein-Gordon equations

NASA Astrophysics Data System (ADS)

Liu, Changying; Wu, Xinyuan

2017-07-01

In this paper we explore arbitrarily high-order Lagrange collocation-type time-stepping schemes for effectively solving high-dimensional nonlinear Klein-Gordon equations with different boundary conditions. We begin with one-dimensional periodic boundary problems and first formulate an abstract ordinary differential equation (ODE) on a suitable infinity-dimensional function space based on the operator spectrum theory. We then introduce an operator-variation-of-constants formula which is essential for the derivation of our arbitrarily high-order Lagrange collocation-type time-stepping schemes for the nonlinear abstract ODE. The nonlinear stability and convergence are rigorously analysed once the spatial differential operator is approximated by an appropriate positive semi-definite matrix under some suitable smoothness assumptions. With regard to the two dimensional Dirichlet or Neumann boundary problems, our new time-stepping schemes coupled with discrete Fast Sine / Cosine Transformation can be applied to simulate the two-dimensional nonlinear Klein-Gordon equations effectively. All essential features of the methodology are present in one-dimensional and two-dimensional cases, although the schemes to be analysed lend themselves with equal to higher-dimensional case. The numerical simulation is implemented and the numerical results clearly demonstrate the advantage and effectiveness of our new schemes in comparison with the existing numerical methods for solving nonlinear Klein-Gordon equations in the literature.

Three-dimensional marginal separation

NASA Technical Reports Server (NTRS)

Duck, Peter W.

1988-01-01

The three dimensional marginal separation of a boundary layer along a line of symmetry is considered. The key equation governing the displacement function is derived, and found to be a nonlinear integral equation in two space variables. This is solved iteratively using a pseudo-spectral approach, based partly in double Fourier space, and partly in physical space. Qualitatively, the results are similar to previously reported two dimensional results (which are also computed to test the accuracy of the numerical scheme); however quantitatively the three dimensional results are much different.

TEMPEST: A computer code for three-dimensional analysis of transient fluid dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fort, J.A.

TEMPEST (Transient Energy Momentum and Pressure Equations Solutions in Three dimensions) is a powerful tool for solving engineering problems in nuclear energy, waste processing, chemical processing, and environmental restoration because it analyzes and illustrates 3-D time-dependent computational fluid dynamics and heat transfer analysis. It is a family of codes with two primary versions, a N- Version (available to public) and a T-Version (not currently available to public). This handout discusses its capabilities, applications, numerical algorithms, development status, and availability and assistance.

Finite elements and the method of conjugate gradients on a concurrent processor

NASA Technical Reports Server (NTRS)

Lyzenga, G. A.; Raefsky, A.; Hager, G. H.

1985-01-01

An algorithm for the iterative solution of finite element problems on a concurrent processor is presented. The method of conjugate gradients is used to solve the system of matrix equations, which is distributed among the processors of a MIMD computer according to an element-based spatial decomposition. This algorithm is implemented in a two-dimensional elastostatics program on the Caltech Hypercube concurrent processor. The results of tests on up to 32 processors show nearly linear concurrent speedup, with efficiencies over 90 percent for sufficiently large problems.

An interacting boundary layer model for cascades

NASA Technical Reports Server (NTRS)

Davis, R. T.; Rothmayer, A. P.

1983-01-01

A laminar, incompressible interacting boundary layer model is developed for two-dimensional cascades. In the limit of large cascade spacing these equations reduce to the interacting boundary layer equations for a single body immersed in an infinite stream. A fully implicit numerical method is used to solve the governing equations, and is found to be at least as efficient as the same technique applied to the single body problem. Solutions are then presented for a cascade of finite flat plates and a cascade of finite sine-waves, with cusped leading and trailing edges.

Finite elements and the method of conjugate gradients on a concurrent processor

NASA Technical Reports Server (NTRS)

Lyzenga, G. A.; Raefsky, A.; Hager, B. H.

1984-01-01

An algorithm for the iterative solution of finite element problems on a concurrent processor is presented. The method of conjugate gradients is used to solve the system of matrix equations, which is distributed among the processors of a MIMD computer according to an element-based spatial decomposition. This algorithm is implemented in a two-dimensional elastostatics program on the Caltech Hypercube concurrent processor. The results of tests on up to 32 processors show nearly linear concurrent speedup, with efficiencies over 90% for sufficiently large problems.

Hydraulic forces on a centrifugal impeller undergoing synchronous whirl

NASA Technical Reports Server (NTRS)

Allaire, P. E.; Sato, C. J.; Branagan, L. A.

1984-01-01

High speed centrifugal rotating machinery with large vibrations caused by aerodynamic forces on impellers was examined. A method to calculate forces in a two dimensional orbiting impeller in an unbounded fluid with nonuniform entering flow was developed. A finite element model of the full impeller is employed to solve the inviscid flow equations. Five forces acting on the impeller are: Coriolis forces, centripetal forces, changes in linear momentum, changes in pressure due to rotation and pressure changes due to linear momentum. Both principal and cross coupled stiffness coefficients are calculated for the impeller.

Solar Filament Longitudinal Oscillations along a Magnetic Field Tube with Two Dips

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou Yu-Hao; Zhang Li-Yue; Ouyang, Y.

Large-amplitude longitudinal oscillations of solar filaments have been observed and explored for more than ten years. Previous studies are mainly based on the one-dimensional rigid flux tube model with a single magnetic dip. However, it has been noted that there might be two magnetic dips, and hence two threads, along one magnetic field line. Following previous work, we intend to investigate the kinematics of the filament longitudinal oscillations when two threads are magnetically connected, which is done by solving one-dimensional radiative hydrodynamic equations with the numerical code MPI-AMRVAC. Two different types of perturbations are considered, and the difference from previousmore » works resulting from the interaction of the two filament threads is investigated. We find that even with the inclusion of the thread–thread interaction, the oscillation period is modified weakly, by at most 20% compared to the traditional pendulum model with one thread. However, the damping timescale is significantly affected by the thread–thread interaction. Hence, we should take it into account when applying the consistent seismology to the filaments where two threads are magnetically connected.« less

Statistical mechanics of complex neural systems and high dimensional data

NASA Astrophysics Data System (ADS)

Advani, Madhu; Lahiri, Subhaneil; Ganguli, Surya

2013-03-01

Recent experimental advances in neuroscience have opened new vistas into the immense complexity of neuronal networks. This proliferation of data challenges us on two parallel fronts. First, how can we form adequate theoretical frameworks for understanding how dynamical network processes cooperate across widely disparate spatiotemporal scales to solve important computational problems? Second, how can we extract meaningful models of neuronal systems from high dimensional datasets? To aid in these challenges, we give a pedagogical review of a collection of ideas and theoretical methods arising at the intersection of statistical physics, computer science and neurobiology. We introduce the interrelated replica and cavity methods, which originated in statistical physics as powerful ways to quantitatively analyze large highly heterogeneous systems of many interacting degrees of freedom. We also introduce the closely related notion of message passing in graphical models, which originated in computer science as a distributed algorithm capable of solving large inference and optimization problems involving many coupled variables. We then show how both the statistical physics and computer science perspectives can be applied in a wide diversity of contexts to problems arising in theoretical neuroscience and data analysis. Along the way we discuss spin glasses, learning theory, illusions of structure in noise, random matrices, dimensionality reduction and compressed sensing, all within the unified formalism of the replica method. Moreover, we review recent conceptual connections between message passing in graphical models, and neural computation and learning. Overall, these ideas illustrate how statistical physics and computer science might provide a lens through which we can uncover emergent computational functions buried deep within the dynamical complexities of neuronal networks.

How Students Solve Problems in Spatial Geometry while Using a Software Application for Visualizing 3D Geometric Objects

ERIC Educational Resources Information Center

Widder, Mirela; Gorsky, Paul

2013-01-01

In schools, learning spatial geometry is usually dependent upon a student's ability to visualize three dimensional geometric configurations from two dimensional drawings. Such a process, however, often creates visual obstacles which are unique to spatial geometry. Useful software programs which realistically depict three dimensional geometric…

Determination of aerodynamic sensitivity coefficients based on the three-dimensional full potential equation

NASA Technical Reports Server (NTRS)

Elbanna, Hesham M.; Carlson, Leland A.

1992-01-01

The quasi-analytical approach is applied to the three-dimensional full potential equation to compute wing aerodynamic sensitivity coefficients in the transonic regime. Symbolic manipulation is used to reduce the effort associated with obtaining the sensitivity equations, and the large sensitivity system is solved using 'state of the art' routines. Results are compared to those obtained by the direct finite difference approach and both methods are evaluated to determine their computational accuracy and efficiency. The quasi-analytical approach is shown to be accurate and efficient for large aerodynamic systems.

Two-Dimensional Mathematical Modeling of the Pack Carburizing Process

NASA Astrophysics Data System (ADS)

Sarkar, S.; Gupta, G. S.

2008-10-01

Pack carburization is the oldest method among the case-hardening treatments, and sufficient attempts have not been made to understand this process in terms of heat and mass transfer, effect of alloying elements, dimensions of the sample, etc. Thus, a two-dimensional mathematical model in cylindrical coordinate is developed for simulating the pack carburization process for chromium-bearing steel in this study. Heat and mass balance equations are solved simultaneously, where the surface temperature of the sample varies with time, but the carbon potential at the surface during the process remains constant. The fully implicit finite volume technique is used to solve the governing equations. Good agreement has been found between the predicted and published data. The effect of temperature, carburizing time, dimensions of the sample, etc. on the pack carburizing process shows some interesting results. It is found that the two-dimensional model gives better insight into understanding the carburizing process.

Calculation of turbulent boundary layers with heat transfer and pressure gradient utilizing a compressibility transformation. Part 3: Computer program manual

NASA Technical Reports Server (NTRS)

Schneider, J.; Boccio, J.

1972-01-01

A computer program is described capable of determining the properties of a compressible turbulent boundary layer with pressure gradient and heat transfer. The program treats the two-dimensional problem assuming perfect gas and Crocco integral energy solution. A compressibility transformation is applied to the equation for the conservation of mass and momentum, which relates this flow to a low speed constant property flow with simultaneous mass transfer and pressure gradient. The resulting system of describing equations consists of eight ordinary differential equations which are solved numerically. For Part 1, see N72-12226; for Part 2, see N72-15264.

A finite element-boundary integral method for scattering and radiation by two- and three-dimensional structures

NASA Technical Reports Server (NTRS)

Jin, Jian-Ming; Volakis, John L.; Collins, Jeffery D.

1991-01-01

A review of a hybrid finite element-boundary integral formulation for scattering and radiation by two- and three-dimensional composite structures is presented. In contrast to other hybrid techniques involving the finite element method, the proposed one is in principle exact and can be implemented using a low O(N) storage. This is of particular importance for large scale applications and is a characteristic of the boundary chosen to terminate the finite element mesh, usually as close to the structure as possible. A certain class of these boundaries lead to convolutional boundary integrals which can be evaluated via the fast Fourier transform (FFT) without a need to generate a matrix; thus, retaining the O(N) storage requirement. The paper begins with a general description of the method. A number of two- and three-dimensional applications are then given, including numerical computations which demonstrate the method's accuracy, efficiency, and capability.

Guided waves dispersion equations for orthotropic multilayered pipes solved using standard finite elements code.

PubMed

Predoi, Mihai Valentin

2014-09-01

The dispersion curves for hollow multilayered cylinders are prerequisites in any practical guided waves application on such structures. The equations for homogeneous isotropic materials have been established more than 120 years ago. The difficulties in finding numerical solutions to analytic expressions remain considerable, especially if the materials are orthotropic visco-elastic as in the composites used for pipes in the last decades. Among other numerical techniques, the semi-analytical finite elements method has proven its capability of solving this problem. Two possibilities exist to model a finite elements eigenvalue problem: a two-dimensional cross-section model of the pipe or a radial segment model, intersecting the layers between the inner and the outer radius of the pipe. The last possibility is here adopted and distinct differential problems are deduced for longitudinal L(0,n), torsional T(0,n) and flexural F(m,n) modes. Eigenvalue problems are deduced for the three modes classes, offering explicit forms of each coefficient for the matrices used in an available general purpose finite elements code. Comparisons with existing solutions for pipes filled with non-linear viscoelastic fluid or visco-elastic coatings as well as for a fully orthotropic hollow cylinder are all proving the reliability and ease of use of this method. Copyright © 2014 Elsevier B.V. All rights reserved.

Experiences with explicit finite-difference schemes for complex fluid dynamics problems on STAR-100 and CYBER-203 computers

NASA Technical Reports Server (NTRS)

Kumar, A.; Rudy, D. H.; Drummond, J. P.; Harris, J. E.

1982-01-01

Several two- and three-dimensional external and internal flow problems solved on the STAR-100 and CYBER-203 vector processing computers are described. The flow field was described by the full Navier-Stokes equations which were then solved by explicit finite-difference algorithms. Problem results and computer system requirements are presented. Program organization and data base structure for three-dimensional computer codes which will eliminate or improve on page faulting, are discussed. Storage requirements for three-dimensional codes are reduced by calculating transformation metric data in each step. As a result, in-core grid points were increased in number by 50% to 150,000, with a 10% execution time increase. An assessment of current and future machine requirements shows that even on the CYBER-205 computer only a few problems can be solved realistically. Estimates reveal that the present situation is more storage limited than compute rate limited, but advancements in both storage and speed are essential to realistically calculate three-dimensional flow.

Solvable two-dimensional time-dependent non-Hermitian quantum systems with infinite dimensional Hilbert space in the broken PT-regime

NASA Astrophysics Data System (ADS)

Fring, Andreas; Frith, Thomas

2018-06-01

We provide exact analytical solutions for a two-dimensional explicitly time-dependent non-Hermitian quantum system. While the time-independent variant of the model studied is in the broken PT-symmetric phase for the entire range of the model parameters, and has therefore a partially complex energy eigenspectrum, its time-dependent version has real energy expectation values at all times. In our solution procedure we compare the two equivalent approaches of directly solving the time-dependent Dyson equation with one employing the Lewis–Riesenfeld method of invariants. We conclude that the latter approach simplifies the solution procedure due to the fact that the invariants of the non-Hermitian and Hermitian system are related to each other in a pseudo-Hermitian fashion, which in turn does not hold for their corresponding time-dependent Hamiltonians. Thus constructing invariants and subsequently using the pseudo-Hermiticity relation between them allows to compute the Dyson map and to solve the Dyson equation indirectly. In this way one can bypass to solve nonlinear differential equations, such as the dissipative Ermakov–Pinney equation emerging in our and many other systems.

Effectiveness of Systems Training for Emotional Predictability and Problem Solving (STEPPS) for borderline personality problems in a 'real-world' sample: moderation by diagnosis or severity?

PubMed

Bos, Elisabeth H; van Wel, E Bas; Appelo, Martin T; Verbraak, Marc J P M

2011-01-01

Systems Training for Emotional Predictability and Problem Solving (STEPPS) is a group treatment for borderline personality disorder (BPD). Two prior randomized controlled trials (RCTs) have shown the efficacy of this training. In both RCTs, patients with borderline features who did not meet the DSM-IV criteria for BPD were excluded, which were many. We investigated the effectiveness of STEPPS in a sample representative of routine clinical practice and examined whether DSM-IV diagnosis and/or baseline severity were related to differential effectiveness. Patients whom their practicing clinician diagnosed with BPD were randomized to STEPPS plus adjunctive individual therapy (STEPPS, n = 84) or to treatment as usual (TAU, n = 84). STEPPS recipients showed more improvement on measures of general and BPD-specific psychopathology as well as quality of life than TAU recipients, both at the end of treatment and at a 6-month follow-up. Presence of DSM-IV-diagnosed BPD was not related to differential treatment effectiveness, but dimensional measures of symptom severity were; STEPPS was superior to TAU particularly in patients with higher baseline severity scores. The findings show the effectiveness of STEPPS in a 'real-world' sample, and underscore the importance of dimensional versus categorical measures of personality disturbance. Copyright © 2011 S. Karger AG, Basel.

Computer programs for calculating two-dimensional potential flow in and about propulsion system inlets

NASA Technical Reports Server (NTRS)

Hawk, J. D.; Stockman, N. O.; Farrell, C. A., Jr.

1978-01-01

Incompressible potential flow calculations are presented that were corrected for compressibility in two-dimensional inlets at arbitrary operating conditions. Included are a statement of the problem to be solved, a description of each of the computer programs, and sufficient documentation, including a test case, to enable a user to run the program.

Computer programs for calculating two-dimensional potential flow through deflected nozzles

NASA Technical Reports Server (NTRS)

Hawk, J. D.; Stockman, N. O.

1979-01-01

Computer programs to calculate the incompressible potential flow, corrected for compressibility, in two-dimensional nozzles at arbitrary operating conditions are presented. A statement of the problem to be solved, a description of each of the computer programs, and sufficient documentation, including a test case, to enable a user to run the program are included.

Mycobacterium tuberculosis hemoglobin N displays a protein tunnel suited for O2 diffusion to the heme

PubMed Central

Milani, Mario; Pesce, Alessandra; Ouellet, Yannick; Ascenzi, Paolo; Guertin, Michel; Bolognesi, Martino

2001-01-01

Macrophage-generated oxygen- and nitrogen-reactive species control the development of Mycobacterium tuberculosis infection in the host. Mycobacterium tuberculosis ‘truncated hemoglobin’ N (trHbN) has been related to nitric oxide (NO) detoxification, in response to macrophage nitrosative stress, during the bacterium latent infection stage. The three-dimensional structure of oxygenated trHbN, solved at 1.9 Å resolution, displays the two-over-two α-helical sandwich fold recently characterized in two homologous truncated hemoglobins, featuring an extra N-terminal α-helix and homodimeric assembly. In the absence of a polar distal E7 residue, the O2 heme ligand is stabilized by two hydrogen bonds to TyrB10(33). Strikingly, ligand diffusion to the heme in trHbN may occur via an apolar tunnel/cavity system extending for ∼28 Å through the protein matrix, connecting the heme distal cavity to two distinct protein surface sites. This unique structural feature appears to be conserved in several homologous truncated hemoglobins. It is proposed that in trHbN, heme Fe/O2 stereochemistry and the protein matrix tunnel may promote O2/NO chemistry in vivo, as a M.tuberculosis defense mechanism against macrophage nitrosative stress. PMID:11483493

Enstrophy Cascade in Decaying Two-Dimensional Quantum Turbulence

NASA Astrophysics Data System (ADS)

Reeves, Matthew T.; Billam, Thomas P.; Yu, Xiaoquan; Bradley, Ashton S.

2017-11-01

We report evidence for an enstrophy cascade in large-scale point-vortex simulations of decaying two-dimensional quantum turbulence. Devising a method to generate quantum vortex configurations with kinetic energy narrowly localized near a single length scale, the dynamics are found to be well characterized by a superfluid Reynolds number Res that depends only on the number of vortices and the initial kinetic energy scale. Under free evolution the vortices exhibit features of a classical enstrophy cascade, including a k-3 power-law kinetic energy spectrum, and constant enstrophy flux associated with inertial transport to small scales. Clear signatures of the cascade emerge for N ≳500 vortices. Simulating up to very large Reynolds numbers (N =32 768 vortices), additional features of the classical theory are observed: the Kraichnan-Batchelor constant is found to converge to C'≈1.6 , and the width of the k-3 range scales as Res1 /2 .

On the statistical mechanics of the 2D stochastic Euler equation

NASA Astrophysics Data System (ADS)

Bouchet, Freddy; Laurie, Jason; Zaboronski, Oleg

2011-12-01

The dynamics of vortices and large scale structures is qualitatively very different in two dimensional flows compared to its three dimensional counterparts, due to the presence of multiple integrals of motion. These are believed to be responsible for a variety of phenomena observed in Euler flow such as the formation of large scale coherent structures, the existence of meta-stable states and random abrupt changes in the topology of the flow. In this paper we study stochastic dynamics of the finite dimensional approximation of the 2D Euler flow based on Lie algebra su(N) which preserves all integrals of motion. In particular, we exploit rich algebraic structure responsible for the existence of Euler's conservation laws to calculate the invariant measures and explore their properties and also study the approach to equilibrium. Unexpectedly, we find deep connections between equilibrium measures of finite dimensional su(N) truncations of the stochastic Euler equations and random matrix models. Our work can be regarded as a preparation for addressing the questions of large scale structures, meta-stability and the dynamics of random transitions between different flow topologies in stochastic 2D Euler flows.

A conservative MHD scheme on unstructured Lagrangian grids for Z-pinch hydrodynamic simulations

NASA Astrophysics Data System (ADS)

Wu, Fuyuan; Ramis, Rafael; Li, Zhenghong

2018-03-01

A new algorithm to model resistive magnetohydrodynamics (MHD) in Z-pinches has been developed. Two-dimensional axisymmetric geometry with azimuthal magnetic field Bθ is considered. Discretization is carried out using unstructured meshes made up of arbitrarily connected polygons. The algorithm is fully conservative for mass, momentum, and energy. Matter energy and magnetic energy are managed separately. The diffusion of magnetic field is solved using a derivative of the Symmetric-Semi-Implicit scheme, Livne et al. (1985) [23], where unconditional stability is obtained without needing to solve large sparse systems of equations. This MHD package has been integrated into the radiation-hydrodynamics code MULTI-2D, Ramis et al. (2009) [20], that includes hydrodynamics, laser energy deposition, heat conduction, and radiation transport. This setup allows to simulate Z-pinch configurations relevant for Inertial Confinement Fusion.

Emergent Ising degrees of freedom above a double-stripe magnetic ground state

NASA Astrophysics Data System (ADS)

Zhang, Guanghua; Flint, Rebecca

2017-12-01

Double-stripe magnetism [Q =(π /2 ,π /2 )] has been proposed as the magnetic ground state for both the iron-telluride and BaTi2Sb2O families of superconductors. Double-stripe order is captured within a J1-J2-J3 Heisenberg model in the regime J3≫J2≫J1 . Intriguingly, besides breaking spin-rotational symmetry, the ground-state manifold has three additional Ising degrees of freedom associated with bond ordering. Via their coupling to the lattice, they give rise to an orthorhombic distortion and to two nonuniform lattice distortions with wave vector (π ,π ) . Because the ground state is fourfold degenerate, modulo rotations in spin space, only two of these Ising bond order parameters are independent. Here, we introduce an effective field theory to treat all Ising order parameters, as well as magnetic order, and solve it within a large-N limit. All three transitions, corresponding to the condensations of two Ising bond order parameters and one magnetic order parameter are simultaneous and first order in three dimensions, but lower dimensionality, or equivalently weaker interlayer coupling, and weaker magnetoelastic coupling can split the three transitions, and in some cases allows for two separate Ising phase transitions above the magnetic one.

Constructing three-dimensional porous graphene-carbon quantum dots/g-C3N4 nanosheet aerogel metal-free photocatalyst with enhanced photocatalytic activity

NASA Astrophysics Data System (ADS)

He, Huijuan; Huang, Langhuan; Zhong, Zijun; Tan, Shaozao

2018-05-01

Photocatalysis has been widely considered to be an effective way for solving the worldwide environmental pollution issues. Herein, a new type of three-dimensional (3D) ternary graphene-carbon quantum dots/g-C3N4 nanosheet (GA-CQDs/CNN) aerogel visible-light-driven photocatalyst was synthesized via a two-step hydrothermal method. In this unique ternary photocatalyst, both carbon quantum dots (CQDs) and reduced graphene oxide (rGO) could improve the visible light absorption and promote the charge separation. Furthermore, reduced graphene oxide (rGO) could act as a supportor for the 3D framework. Such a ternary system overcame the drawbacks of bulk g-C3N4 (BCN) and achieved the enhanced photocatalytic activity and long-term stability. As a result, the methyl orange (MO) removal ratio of GA-CQDs/CNN-24% was up to 91.1%, which was about 7.6 times higher than that of bulk g-C3N4 (BCN) under the identical conditions. Moreover that GA-CQDs/CNN-24% exhibited inappreciable loss of photocatalytic activity after four-cycle degradation processes. Finally, the photocatalytic mechanism of GA-CQDs/CNN-24% was interpreted both theoretically and experimentally.

A nonintrusive laser interferometer method for measurement of skin friction

NASA Technical Reports Server (NTRS)

Monson, D. J.

1983-01-01

A method is described for monitoring the changing thickness of a thin oil film subject to an aerodynamic shear stress using two focused laser beams. The measurement is then simply analyzed in terms of the surface skin friction of the flow. The analysis includes the effects of arbitrarily large pressure and skin friction gradients, gravity, and time varying oil temperature. It may also be applied to three dimensional flows with unknown direction. Applications are presented for a variety of flows, including two dimensional flows, three dimensional swirling flows, separated flow, supersonic high Reynolds number flows, and delta wing vortical flows. Previously announced in STAR as N83-12393

The first mammalian aldehyde oxidase crystal structure: insights into substrate specificity.

PubMed

Coelho, Catarina; Mahro, Martin; Trincão, José; Carvalho, Alexandra T P; Ramos, Maria João; Terao, Mineko; Garattini, Enrico; Leimkühler, Silke; Romão, Maria João

2012-11-23

Aldehyde oxidases have pharmacological relevance, and AOX3 is the major drug-metabolizing enzyme in rodents. The crystal structure of mouse AOX3 with kinetics and molecular docking studies provides insights into its enzymatic characteristics. Differences in substrate and inhibitor specificities can be rationalized by comparing the AOX3 and xanthine oxidase structures. The first aldehyde oxidase structure represents a major advance for drug design and mechanistic studies. Aldehyde oxidases (AOXs) are homodimeric proteins belonging to the xanthine oxidase family of molybdenum-containing enzymes. Each 150-kDa monomer contains a FAD redox cofactor, two spectroscopically distinct [2Fe-2S] clusters, and a molybdenum cofactor located within the protein active site. AOXs are characterized by broad range substrate specificity, oxidizing different aldehydes and aromatic N-heterocycles. Despite increasing recognition of its role in the metabolism of drugs and xenobiotics, the physiological function of the protein is still largely unknown. We have crystallized and solved the crystal structure of mouse liver aldehyde oxidase 3 to 2.9 Å. This is the first mammalian AOX whose structure has been solved. The structure provides important insights into the protein active center and further evidence on the catalytic differences characterizing AOX and xanthine oxidoreductase. The mouse liver aldehyde oxidase 3 three-dimensional structure combined with kinetic, mutagenesis data, molecular docking, and molecular dynamics studies make a decisive contribution to understand the molecular basis of its rather broad substrate specificity.

Nonlinear Fourier algorithm applied to solving equations of gravitational gas dynamics

NASA Technical Reports Server (NTRS)

Kolosov, B. I.

1979-01-01

Two dimensional gas flow problems were reduced to an approximating system of common differential equations, which were solved by a standard procedure of the Runge-Kutta type. A theorem of the existence of stationary conical shock waves with the cone vertex in the gravitating center was proved.

Spatial Visualization in Physics Problem Solving

ERIC Educational Resources Information Center

Kozhevnikov, Maria; Motes, Michael A.; Hegarty, Mary

2007-01-01

Three studies were conducted to examine the relation of spatial visualization to solving kinematics problems that involved either predicting the two-dimensional motion of an object, translating from one frame of reference to another, or interpreting kinematics graphs. In Study 1, 60 physics-naive students were administered kinematics problems and…

Basic Equations for the Modeling of Gallium Nitride (gan) High Electron Mobility Transistors (hemts)

NASA Technical Reports Server (NTRS)

Freeman, Jon C.

2003-01-01

Gallium nitride (GaN) is a most promising wide band-gap semiconductor for use in high-power microwave devices. It has functioned at 320 C, and higher values are well within theoretical limits. By combining four devices, 20 W has been developed at X-band. GaN High Electron Mobility Transistors (HEMTs) are unique in that the two-dimensional electron gas (2DEG) is supported not by intentional doping, but instead by polarization charge developed at the interface between the bulk GaN region and the AlGaN epitaxial layer. The polarization charge is composed of two parts: spontaneous and piezoelectric. This behavior is unlike other semiconductors, and for that reason, no commercially available modeling software exists. The theme of this document is to develop a self-consistent approach to developing the pertinent equations to be solved. A Space Act Agreement, "Effects in AlGaN/GaN HEMT Semiconductors" with Silvaco Data Systems to implement this approach into their existing software for III-V semiconductors, is in place (summer of 2002).

A study of infrasound propagation based on high-order finite difference solutions of the Navier-Stokes equations.

PubMed

Marsden, O; Bogey, C; Bailly, C

2014-03-01

The feasibility of using numerical simulation of fluid dynamics equations for the detailed description of long-range infrasound propagation in the atmosphere is investigated. The two dimensional (2D) Navier Stokes equations are solved via high fidelity spatial finite differences and Runge-Kutta time integration, coupled with a shock-capturing filter procedure allowing large amplitudes to be studied. The accuracy of acoustic prediction over long distances with this approach is first assessed in the linear regime thanks to two test cases featuring an acoustic source placed above a reflective ground in a homogeneous and weakly inhomogeneous medium, solved for a range of grid resolutions. An atmospheric model which can account for realistic features affecting acoustic propagation is then described. A 2D study of the effect of source amplitude on signals recorded at ground level at varying distances from the source is carried out. Modifications both in terms of waveforms and arrival times are described.

A Moving Mesh Finite Element Algorithm for Singular Problems in Two and Three Space Dimensions

NASA Astrophysics Data System (ADS)

Li, Ruo; Tang, Tao; Zhang, Pingwen

2002-04-01

A framework for adaptive meshes based on the Hamilton-Schoen-Yau theory was proposed by Dvinsky. In a recent work (2001, J. Comput. Phys.170, 562-588), we extended Dvinsky's method to provide an efficient moving mesh algorithm which compared favorably with the previously proposed schemes in terms of simplicity and reliability. In this work, we will further extend the moving mesh methods based on harmonic maps to deal with mesh adaptation in three space dimensions. In obtaining the variational mesh, we will solve an optimization problem with some appropriate constraints, which is in contrast to the traditional method of solving the Euler-Lagrange equation directly. The key idea of this approach is to update the interior and boundary grids simultaneously, rather than considering them separately. Application of the proposed moving mesh scheme is illustrated with some two- and three-dimensional problems with large solution gradients. The numerical experiments show that our methods can accurately resolve detail features of singular problems in 3D.

Layered materials

NASA Astrophysics Data System (ADS)

Johnson, David; Clarke, Simon; Wiley, John; Koumoto, Kunihito

2014-06-01

Layered compounds, materials with a large anisotropy to their bonding, electrical and/or magnetic properties, have been important in the development of solid state chemistry, physics and engineering applications. Layered materials were the initial test bed where chemists developed intercalation chemistry that evolved into the field of topochemical reactions where researchers are able to perform sequential steps to arrive at kinetically stable products that cannot be directly prepared by other approaches. Physicists have used layered compounds to discover and understand novel phenomena made more apparent through reduced dimensionality. The discovery of charge and spin density waves and more recently the remarkable discovery in condensed matter physics of the two-dimensional topological insulating state were discovered in two-dimensional materials. The understanding developed in two-dimensional materials enabled subsequent extension of these and other phenomena into three-dimensional materials. Layered compounds have also been used in many technologies as engineers and scientists used their unique properties to solve challenging technical problems (low temperature ion conduction for batteries, easy shear planes for lubrication in vacuum, edge decorated catalyst sites for catalytic removal of sulfur from oil, etc). The articles that are published in this issue provide an excellent overview of the spectrum of activities that are being pursued, as well as an introduction to some of the most established achievements in the field. Clusters of papers discussing thermoelectric properties, electronic structure and transport properties, growth of single two-dimensional layers, intercalation and more extensive topochemical reactions and the interleaving of two structures to form new materials highlight the breadth of current research in this area. These papers will hopefully serve as a useful guideline for the interested reader to different important aspects in this field and an overview of current areas of research interest.

Two-dimensional thermal modeling of power monolithic microwave integrated circuits (MMIC's)

NASA Technical Reports Server (NTRS)

Fan, Mark S.; Christou, Aris; Pecht, Michael G.

1992-01-01

Numerical simulations of the two-dimensional temperature distributions for a typical GaAs MMIC circuit are conducted, aiming at understanding the heat conduction process of the circuit chip and providing temperature information for device reliability analysis. The method used is to solve the two-dimensional heat conduction equation with a control-volume-based finite difference scheme. In particular, the effects of the power dissipation and the ambient temperature are examined, and the criterion for the worst operating environment is discussed in terms of the allowed highest device junction temperature.

Flow of rarefied gases over two-dimensional bodies

NASA Technical Reports Server (NTRS)

Jeng, Duen-Ren; De Witt, Kenneth J.; Keith, Theo G., Jr.; Chung, Chan-Hong

1989-01-01

A kinetic-theory analysis is made of the flow of rarefied gases over two-dimensional bodies of arbitrary curvature. The Boltzmann equation simplified by a model collision integral is written in an arbitrary orthogonal curvilinear coordinate system, and solved by means of finite-difference approximation with the discrete ordinate method. A numerical code is developed which can be applied to any two-dimensional submerged body of arbitrary curvature for the flow regimes from free-molecular to slip at transonic Mach numbers. Predictions are made for the case of a right circular cylinder.

The study of the Boltzmann equation of solid-gas two-phase flow with three-dimensional BGK model

NASA Astrophysics Data System (ADS)

Liu, Chang-jiang; Pang, Song; Xu, Qiang; He, Ling; Yang, Shao-peng; Qing, Yun-jie

2018-06-01

The motion of many solid-gas two-phase flows can be described by the Boltzmann equation. In order to simplify the Boltzmann equation, the convective-diffusion term is reserved and the collision term is replaced by the three-dimensional Bharnagar-Gross-Krook (BGK) model. Then the simplified Boltzmann equation is solved by homotopy perturbation method (HPM), and its approximate analytical solution is obtained. Through the analyzing, it is proved that the analytical solution satisfies all the constraint conditions, and its formation is in accord with the formation of the solution that is obtained by traditional Chapman-Enskog method, and the solving process of HPM is much more simple and convenient. This preliminarily shows the effectiveness and rapidness of HPM to solve the Boltzmann equation. The results obtained herein provide some theoretical basis for the further study of dynamic model of solid-gas two-phase flows, such as the sturzstrom of high-speed distant landslide caused by microseism and the sand storm caused by strong breeze.

A numerical solution for two-dimensional Fredholm integral equations of the second kind with kernels of the logarithmic potential form

NASA Technical Reports Server (NTRS)

Gabrielsen, R. E.; Uenal, A.

1981-01-01

Two dimensional Fredholm integral equations with logarithmic potential kernels are numerically solved. The explicit consequence of these solutions to their true solutions is demonstrated. The results are based on a previous work in which numerical solutions were obtained for Fredholm integral equations of the second kind with continuous kernels.

Three-dimensional inverse problem of geometrical optics: a mathematical comparison between Fermat's principle and the eikonal equation.

PubMed

Borghero, Francesco; Demontis, Francesco

2016-09-01

In the framework of geometrical optics, we consider the following inverse problem: given a two-parameter family of curves (congruence) (i.e., f(x,y,z)=c₁,g(x,y,z)=c₂), construct the refractive-index distribution function n=n(x,y,z) of a 3D continuous transparent inhomogeneous isotropic medium, allowing for the creation of the given congruence as a family of monochromatic light rays. We solve this problem by following two different procedures: 1. By applying Fermat's principle, we establish a system of two first-order linear nonhomogeneous PDEs in the unique unknown function n=n(x,y,z) relating the assigned congruence of rays with all possible refractive-index profiles compatible with this family. Moreover, we furnish analytical proof that the family of rays must be a normal congruence. 2. By applying the eikonal equation, we establish a second system of two first-order linear homogeneous PDEs whose solutions give the equation S(x,y,z)=const. of the geometric wavefronts and, consequently, all pertinent refractive-index distribution functions n=n(x,y,z). Finally, we make a comparison between the two procedures described above, discussing appropriate examples having exact solutions.

McTwo: a two-step feature selection algorithm based on maximal information coefficient.

PubMed

Ge, Ruiquan; Zhou, Manli; Luo, Youxi; Meng, Qinghan; Mai, Guoqin; Ma, Dongli; Wang, Guoqing; Zhou, Fengfeng

2016-03-23

High-throughput bio-OMIC technologies are producing high-dimension data from bio-samples at an ever increasing rate, whereas the training sample number in a traditional experiment remains small due to various difficulties. This "large p, small n" paradigm in the area of biomedical "big data" may be at least partly solved by feature selection algorithms, which select only features significantly associated with phenotypes. Feature selection is an NP-hard problem. Due to the exponentially increased time requirement for finding the globally optimal solution, all the existing feature selection algorithms employ heuristic rules to find locally optimal solutions, and their solutions achieve different performances on different datasets. This work describes a feature selection algorithm based on a recently published correlation measurement, Maximal Information Coefficient (MIC). The proposed algorithm, McTwo, aims to select features associated with phenotypes, independently of each other, and achieving high classification performance of the nearest neighbor algorithm. Based on the comparative study of 17 datasets, McTwo performs about as well as or better than existing algorithms, with significantly reduced numbers of selected features. The features selected by McTwo also appear to have particular biomedical relevance to the phenotypes from the literature. McTwo selects a feature subset with very good classification performance, as well as a small feature number. So McTwo may represent a complementary feature selection algorithm for the high-dimensional biomedical datasets.

Kadomtsev−Petviashvili equation for a flow of highly nonisothermal collisionless plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Movsesyants, Yu. B., E-mail: yumovsesyants@gmail.com; Rukhadze, A. A., E-mail: rukh@fpl.gpi.ru; Tyuryukanov, P. M.

2016-01-15

It is shown that the equations of two-fluid electrodynamics for a cold ions flow and Boltzmann electrons in the vicinity of the ion-sound point can be reduced to the Kadomtsev−Petviashvili equation. Examples of two-dimensional equilibria with pole singularities obtained by exactly solving the equations are presented. An exact self-similar solution describing a two-dimensional transonic flow and having no pole singularities is found.

Kadomtsev-Petviashvili equation for a flow of highly nonisothermal collisionless plasma

NASA Astrophysics Data System (ADS)

Movsesyants, Yu. B.; Rukhadze, A. A.; Tyuryukanov, P. M.

2016-01-01

It is shown that the equations of two-fluid electrodynamics for a cold ions flow and Boltzmann electrons in the vicinity of the ion-sound point can be reduced to the Kadomtsev-Petviashvili equation. Examples of two-dimensional equilibria with pole singularities obtained by exactly solving the equations are presented. An exact self-similar solution describing a two-dimensional transonic flow and having no pole singularities is found.

An analysis of temperature effect in a finite journal bearing with spatial tilt and viscous dissipation

NASA Technical Reports Server (NTRS)

Braun, M. J.; Mullen, R. L.; Hendricks, R. C.

1984-01-01

The analysis presented herein deals with the evaluation of the pressure, velocity, and temperature profiles in a finite-length plane journal bearing. The geometry of the case under study consists of a spatially tilted shaft. The two-dimensional Reynolds equation accounts for the variation of the clearance gap h with x and z and is used to model the pressure field. The latter is solved for a variety of shaft tilt angles and then used to calculate the two-dimensional flow field. Finally, the flow field is used in the energy equation to solve for the film temperature profile, when the effect of viscous dissipation is taken into account.

In Situ Measurements of N2O and CH4 During SOLVE on the ER-2 Using a New Tunable Diode Laser Instrument

NASA Technical Reports Server (NTRS)

Jost, Hansjurg

2002-01-01

This report is the final report for Cooperative Agreement NCC2-1105: 'In Situ Measurements of N2O and CH4 during SOLVE on the ER-2 using a new tunable diode laser instrument.' The tasks outlined in the proposal are listed below with a brief comment. The publications and the conference presentations are listed. Finally the important publications are attached. The Cooperative Agreement made possible a research effort to produce high precision and high accuracy in situ measurements of methane and nitrous oxide on the ER-2 during the SOLVE field campaign and to analyze these measurements. These measurements of CH4 and N2O were of utmost importance to studies of the ozone losses in the Arctic winter and spring. The concentrations measured over a large spatial and temporal range allowed the separation of the dynamical and chemical ozone loss. The most important results of the SOLVE program were contained in two scientific papers. This Cooperative Agreement allowed the participation of the Argus instrument in the program and the analysis of the data.

On the Rigorous Derivation of the 3D Cubic Nonlinear Schrödinger Equation with a Quadratic Trap

NASA Astrophysics Data System (ADS)

Chen, Xuwen

2013-11-01

We consider the dynamics of the three-dimensional N-body Schrödinger equation in the presence of a quadratic trap. We assume the pair interaction potential is N 3 β-1 V( N β x). We justify the mean-field approximation and offer a rigorous derivation of the three-dimensional cubic nonlinear Schrödinger equation (NLS) with a quadratic trap. We establish the space-time bound conjectured by Klainerman and Machedon (Commun Math Phys 279:169-185, 2008) for by adapting and simplifying an argument in Chen and Pavlović (Annales Henri Poincaré, 2013) which solves the problem for in the absence of a trap.

Computations of Complex Three-Dimensional Turbulent Free Jets

NASA Technical Reports Server (NTRS)

Wilson, Robert V.; Demuren, Ayodeji O.

1997-01-01

Three-dimensional, incompressible turbulent jets with rectangular and elliptical cross-sections are simulated with a finite-difference numerical method. The full Navier- Stokes equations are solved at low Reynolds numbers, whereas at high Reynolds numbers filtered forms of the equations are solved along with a sub-grid scale model to approximate the effects of the unresolved scales. A 2-N storage, third-order Runge-Kutta scheme is used for temporary discretization and a fourth-order compact scheme is used for spatial discretization. Although such methods are widely used in the simulation of compressible flows, the lack of an evolution equation for pressure or density presents particular difficulty in incompressible flows. The pressure-velocity coupling must be established indirectly. It is achieved, in this study, through a Poisson equation which is solved by a compact scheme of the same order of accuracy. The numerical formulation is validated and the dispersion and dissipation errors are documented by the solution of a wide range of benchmark problems. Three-dimensional computations are performed for different inlet conditions which model the naturally developing and forced jets. The experimentally observed phenomenon of axis-switching is captured in the numerical simulation, and it is confirmed through flow visualization that this is based on self-induction of the vorticity field. Statistical quantities such as mean velocity, mean pressure, two-point velocity spatial correlations and Reynolds stresses are presented. Detailed budgets of the mean momentum and Reynolds stresses are presented. Detailed budgets of the mean momentum and Reynolds stress equations are presented to aid in the turbulence modeling of complex jets. Simulations of circular jets are used to quantify the effect of the non-uniform curvature of the non-circular jets.

Determination of the temperature field of shell structures

NASA Astrophysics Data System (ADS)

Rodionov, N. G.

1986-10-01

A stationary heat conduction problem is formulated for the case of shell structures, such as those found in gas-turbine and jet engines. A two-dimensional elliptic differential equation of stationary heat conduction is obtained which allows, in an approximate manner, for temperature changes along a third variable, i.e., the shell thickness. The two-dimensional problem is reduced to a series of one-dimensional problems which are then solved using efficient difference schemes. The approach proposed here is illustrated by a specific example.

Computational unsteady aerodynamics for lifting surfaces

NASA Technical Reports Server (NTRS)

Edwards, John W.

1988-01-01

Two dimensional problems are solved using numerical techniques. Navier-Stokes equations are studied both in the vorticity-stream function formulation which appears to be the optimal choice for two dimensional problems, using a storage approach, and in the velocity pressure formulation which minimizes the number of unknowns in three dimensional problems. Analysis shows that compact centered conservative second order schemes for the vorticity equation are the most robust for high Reynolds number flows. Serious difficulties remain in the choice of turbulent models, to keep reasonable CPU efficiency.

Local Gram-Schmidt and covariant Lyapunov vectors and exponents for three harmonic oscillator problems

NASA Astrophysics Data System (ADS)

Hoover, Wm. G.; Hoover, Carol G.

2012-02-01

We compare the Gram-Schmidt and covariant phase-space-basis-vector descriptions for three time-reversible harmonic oscillator problems, in two, three, and four phase-space dimensions respectively. The two-dimensional problem can be solved analytically. The three-dimensional and four-dimensional problems studied here are simultaneously chaotic, time-reversible, and dissipative. Our treatment is intended to be pedagogical, for use in an updated version of our book on Time Reversibility, Computer Simulation, and Chaos. Comments are very welcome.

Computation of steady nozzle flow by a time-dependent method

NASA Technical Reports Server (NTRS)

Cline, M. C.

1974-01-01

The equations of motion governing steady, inviscid flow are of a mixed type, that is, hyperbolic in the supersonic region and elliptic in the subsonic region. These mathematical difficulties may be removed by using the so-called time-dependent method, where the governing equations become hyperbolic everywhere. The steady-state solution may be obtained as the asymptotic solution for large time. The object of this research was to develop a production type computer program capable of solving converging, converging-diverging, and plug two-dimensional nozzle flows in computational times of 1 min or less on a CDC 6600 computer.

The analysis of a rocket tomography measurement of the N2+3914A emission and N2 ionization rates in an auroral arc

NASA Technical Reports Server (NTRS)

Mcdade, Ian C.

1991-01-01

Techniques were developed for recovering two-dimensional distributions of auroral volume emission rates from rocket photometer measurements made in a tomographic spin scan mode. These tomographic inversion procedures are based upon an algebraic reconstruction technique (ART) and utilize two different iterative relaxation techniques for solving the problems associated with noise in the observational data. One of the inversion algorithms is based upon a least squares method and the other on a maximum probability approach. The performance of the inversion algorithms, and the limitations of the rocket tomography technique, were critically assessed using various factors such as (1) statistical and non-statistical noise in the observational data, (2) rocket penetration of the auroral form, (3) background sources of emission, (4) smearing due to the photometer field of view, and (5) temporal variations in the auroral form. These tests show that the inversion procedures may be successfully applied to rocket observations made in medium intensity aurora with standard rocket photometer instruments. The inversion procedures have been used to recover two-dimensional distributions of auroral emission rates and ionization rates from an existing set of N2+3914A rocket photometer measurements which were made in a tomographic spin scan mode during the ARIES auroral campaign. The two-dimensional distributions of the 3914A volume emission rates recoverd from the inversion of the rocket data compare very well with the distributions that were inferred from ground-based measurements using triangulation-tomography techniques and the N2 ionization rates derived from the rocket tomography results are in very good agreement with the in situ particle measurements that were made during the flight. Three pre-prints describing the tomographic inversion techniques and the tomographic analysis of the ARIES rocket data are included as appendices.

Renyi entropy for local quenches in 2D CFT from numerical conformal blocks

NASA Astrophysics Data System (ADS)

Kusuki, Yuya; Takayanagi, Tadashi

2018-01-01

We study the time evolution of Renyi entanglement entropy for locally excited states in two dimensional large central charge CFTs. It generically shows a logarithmical growth and we compute the coefficient of log t term. Our analysis covers the entire parameter regions with respect to the replica number n and the conformal dimension h O of the primary operator which creates the excitation. We numerically analyse relevant vacuum conformal blocks by using Zamolodchikov's recursion relation. We find that the behavior of the conformal blocks in two dimensional CFTs with a central charge c, drastically changes when the dimensions of external primary states reach the value c/32. In particular, when h O ≥ c/32 and n ≥ 2, we find a new universal formula Δ {S}_A^{(n)}˜eq nc/24(n-1) log t. Our numerical results also confirm existing analytical results using the HHLL approximation.

Orbitally driven low thermal conductivity of monolayer gallium nitride (GaN) with planar honeycomb structure: a comparative study.

PubMed

Qin, Zhenzhen; Qin, Guangzhao; Zuo, Xu; Xiong, Zhihua; Hu, Ming

2017-03-23

Two-dimensional (2D) materials with graphene as a representative have been intensively studied for a long time. Recently, monolayer gallium nitride (ML GaN) with honeycomb structure was successfully fabricated in experiments, generating enormous research interest for its promising applications in nano- and opto-electronics. Considering all these applications are inevitably involved with thermal transport, systematic investigation of the phonon transport properties of 2D GaN is in demand. In this paper, by solving the Boltzmann transport equation (BTE) based on first-principles calculations, we performed a comprehensive study of the phonon transport properties of ML GaN, with detailed comparison to bulk GaN, 2D graphene, silicene and ML BN with similar honeycomb structure. Considering the similar planar structure of ML GaN to graphene, it is quite intriguing to find that the thermal conductivity (κ) of ML GaN (14.93 W mK -1 ) is more than two orders of magnitude lower than that of graphene and is even lower than that of silicene with a buckled structure. Systematic analysis is performed based on the study of the contribution from phonon branches, comparison among the mode level phonon group velocity and lifetime, the detailed process and channels of phonon-phonon scattering, and phonon anharmonicity with potential energy well. We found that, different from graphene and ML BN, the phonon-phonon scattering selection rule in 2D GaN is slightly broken by the lowered symmetry due to the large difference in the atomic radius and mass between Ga and N atoms. Further deep insight is gained from the electronic structure. Resulting from the special sp orbital hybridization mediated by the Ga-d orbital in ML GaN, the strongly polarized Ga-N bond, localized charge density, and its inhomogeneous distribution induce large phonon anharmonicity and lead to the intrinsic low κ of ML GaN. The orbitally driven low κ of ML GaN unraveled in this work would make 2D GaN prospective for applications in energy conversion such as thermoelectrics. Our study offers fundamental understanding of phonon transport in ML GaN within the framework of BTE and further electronic structure, which will enrich the studies of nanoscale phonon transport in 2D materials and shed light on further studies.

Wavepacket propagation using time-sliced semiclassical initial value methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wallace, Brett B.; Reimers, Jeffrey R.; School of Chemistry, University of Sydney, Sydney NSW 2006

2004-12-22

A new semiclassical initial value representation (SC-IVR) propagator and a SC-IVR propagator originally introduced by Kay [J. Chem. Phys. 100, 4432 (1994)], are investigated for use in the split-operator method for solving the time-dependent Schroedinger equation. It is shown that the SC-IVR propagators can be derived from a procedure involving modified Filinov filtering of the Van Vleck expression for the semiclassical propagator. The two SC-IVR propagators have been selected for investigation because they avoid the need to perform a coherent state basis set expansion that is necessary in other time-slicing propagation schemes. An efficient scheme for solving the propagators ismore » introduced and can be considered to be a semiclassical form of the effective propagators of Makri [Chem. Phys. Lett. 159, 489 (1989)]. Results from applications to a one-dimensional, two-dimensional, and three-dimensional Hamiltonian for a double-well potential are presented.« less

Gradient gravitational search: An efficient metaheuristic algorithm for global optimization.

PubMed

Dash, Tirtharaj; Sahu, Prabhat K

2015-05-30

The adaptation of novel techniques developed in the field of computational chemistry to solve the concerned problems for large and flexible molecules is taking the center stage with regard to efficient algorithm, computational cost and accuracy. In this article, the gradient-based gravitational search (GGS) algorithm, using analytical gradients for a fast minimization to the next local minimum has been reported. Its efficiency as metaheuristic approach has also been compared with Gradient Tabu Search and others like: Gravitational Search, Cuckoo Search, and Back Tracking Search algorithms for global optimization. Moreover, the GGS approach has also been applied to computational chemistry problems for finding the minimal value potential energy of two-dimensional and three-dimensional off-lattice protein models. The simulation results reveal the relative stability and physical accuracy of protein models with efficient computational cost. © 2015 Wiley Periodicals, Inc.

New numerical method for radiation heat transfer in nonhomogeneous participating media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Howell, J.R.; Tan, Zhiqiang

A new numerical method, which solves the exact integral equations of distance-angular integration form for radiation transfer, is introduced in this paper. By constructing and prestoring the numerical integral formulas for the distance integral for appropriate kernel functions, this method eliminates the time consuming evaluations of the kernels of the space integrals in the formal computations. In addition, when the number of elements in the system is large, the resulting coefficient matrix is quite sparse. Thus, either considerable time or much storage can be saved. A weakness of the method is discussed, and some remedies are suggested. As illustrations, somemore » one-dimensional and two-dimensional problems in both homogeneous and inhomogeneous emitting, absorbing, and linear anisotropic scattering media are studied. Some results are compared with available data. 13 refs.« less

MPSalsa Version 1.5: A Finite Element Computer Program for Reacting Flow Problems: Part 1 - Theoretical Development

DOE Office of Scientific and Technical Information (OSTI.GOV)

Devine, K.D.; Hennigan, G.L.; Hutchinson, S.A.

1999-01-01

The theoretical background for the finite element computer program, MPSalsa Version 1.5, is presented in detail. MPSalsa is designed to solve laminar or turbulent low Mach number, two- or three-dimensional incompressible and variable density reacting fluid flows on massively parallel computers, using a Petrov-Galerkin finite element formulation. The code has the capability to solve coupled fluid flow (with auxiliary turbulence equations), heat transport, multicomponent species transport, and finite-rate chemical reactions, and to solve coupled multiple Poisson or advection-diffusion-reaction equations. The program employs the CHEMKIN library to provide a rigorous treatment of multicomponent ideal gas kinetics and transport. Chemical reactions occurringmore » in the gas phase and on surfaces are treated by calls to CHEMKIN and SURFACE CHEMK3N, respectively. The code employs unstructured meshes, using the EXODUS II finite element database suite of programs for its input and output files. MPSalsa solves both transient and steady flows by using fully implicit time integration, an inexact Newton method and iterative solvers based on preconditioned Krylov methods as implemented in the Aztec. solver library.« less

Summary of theoretical and experimental investigation of grating type, silicon photovoltaic cells. [using p-n junctions on light receiving surface of base crystal

NASA Technical Reports Server (NTRS)

Chen, L. Y.; Loferski, J. J.

1975-01-01

Theoretical and experimental aspects are summarized for single crystal, silicon photovoltaic devices made by forming a grating pattern of p/n junctions on the light receiving surface of the base crystal. Based on the general semiconductor equations, a mathematical description is presented for the photovoltaic properties of such grating-like structures in a two dimensional form. The resulting second order elliptical equation is solved by computer modeling to give solutions for various, reasonable, initial values of bulk resistivity, excess carrier concentration, and surface recombination velocity. The validity of the computer model is established by comparison with p/n devices produced by alloying an aluminum grating pattern into the surface of n-type silicon wafers. Current voltage characteristics and spectral response curves are presented for cells of this type constructed on wafers of different resistivities and orientations.

Learning Relative Motion Concepts in Immersive and Non-immersive Virtual Environments

NASA Astrophysics Data System (ADS)

Kozhevnikov, Michael; Gurlitt, Johannes; Kozhevnikov, Maria

2013-12-01

The focus of the current study is to understand which unique features of an immersive virtual reality environment have the potential to improve learning relative motion concepts. Thirty-seven undergraduate students learned relative motion concepts using computer simulation either in immersive virtual environment (IVE) or non-immersive desktop virtual environment (DVE) conditions. Our results show that after the simulation activities, both IVE and DVE groups exhibited a significant shift toward a scientific understanding in their conceptual models and epistemological beliefs about the nature of relative motion, and also a significant improvement on relative motion problem-solving tests. In addition, we analyzed students' performance on one-dimensional and two-dimensional questions in the relative motion problem-solving test separately and found that after training in the simulation, the IVE group performed significantly better than the DVE group on solving two-dimensional relative motion problems. We suggest that egocentric encoding of the scene in IVE (where the learner constitutes a part of a scene they are immersed in), as compared to allocentric encoding on a computer screen in DVE (where the learner is looking at the scene from "outside"), is more beneficial than DVE for studying more complex (two-dimensional) relative motion problems. Overall, our findings suggest that such aspects of virtual realities as immersivity, first-hand experience, and the possibility of changing different frames of reference can facilitate understanding abstract scientific phenomena and help in displacing intuitive misconceptions with more accurate mental models.

Anisotropic carrier mobility in buckled two-dimensional GaN.

PubMed

Tong, Lijia; He, Junjie; Yang, Min; Chen, Zheng; Zhang, Jing; Lu, Yanli; Zhao, Ziyuan

2017-08-30

Developing nanoelectronic engineering requires two-dimensional (2d) materials with both usable carrier mobility and proper large band-gap. In this study, we present a detailed theoretical investigation of the intrinsic carrier mobilities of buckled 2d GaN. This buckled 2d GaN is accessed by hydrofluorination (FGaNH) and hydrogenation (HGaNH). We predict that the anisotropic carrier mobilities of buckled 2d GaN can exceed those of 2d MoS 2 and can be altered by an alterable surface chemical bond (convert from a Ga-F-Ga bond of FGaNH to a Ga-H bond of HGaNH). Moreover, converting FGaNH to HGaNH can significantly suppress hole mobility (even close to zero) and result in a transition from a p-type-like semiconductor (FGaNH) to an n-type-like semiconductor (HGaNH). These features make buckled 2d GaN a promising candidate for application in future conductivity-adjustable electronics.

Site- and bond-percolation thresholds in K_{n,n}-based lattices: Vulnerability of quantum annealers to random qubit and coupler failures on chimera topologies.

PubMed

Melchert, O; Katzgraber, Helmut G; Novotny, M A

2016-04-01

We estimate the critical thresholds of bond and site percolation on nonplanar, effectively two-dimensional graphs with chimeralike topology. The building blocks of these graphs are complete and symmetric bipartite subgraphs of size 2n, referred to as K_{n,n} graphs. For the numerical simulations we use an efficient union-find-based algorithm and employ a finite-size scaling analysis to obtain the critical properties for both bond and site percolation. We report the respective percolation thresholds for different sizes of the bipartite subgraph and verify that the associated universality class is that of standard two-dimensional percolation. For the canonical chimera graph used in the D-Wave Systems Inc. quantum annealer (n=4), we discuss device failure in terms of network vulnerability, i.e., we determine the critical fraction of qubits and couplers that can be absent due to random failures prior to losing large-scale connectivity throughout the device.

A new technique for calculating individual dermal fibroblast contractile forces generated within collagen-GAG scaffolds.

PubMed

Harley, Brendan A; Freyman, Toby M; Wong, Matthew Q; Gibson, Lorna J

2007-10-15

Cell-mediated contraction plays a critical role in many physiological and pathological processes, notably organized contraction during wound healing. Implantation of an appropriately formulated (i.e., mean pore size, chemical composition, degradation rate) three-dimensional scaffold into an in vivo wound site effectively blocks the majority of organized wound contraction and results in induced regeneration rather than scar formation. Improved understanding of cell contraction within three-dimensional constructs therefore represents an important area of study in tissue engineering. Studies of cell contraction within three-dimensional constructs typically calculate an average contractile force from the gross deformation of a macroscopic substrate by a large cell population. In this study, cellular solids theory has been applied to conventional column buckling relationships to quantify the magnitude of individual cell contraction events within a three-dimensional, collagen-glycosaminoglycan scaffold. This new technique can be used for studying cell mechanics with a wide variety of porous scaffolds that resemble low-density, open-cell foams. It extends previous methods for analyzing cell buckling of two-dimensional substrates to three-dimensional constructs. From data available in the literature, the mean contractile force (Fc) generated by individual dermal fibroblasts within the collagen-glycosaminoglycan scaffold was calculated to range between 11 and 41 nN (Fc=26+/-13 nN, mean+/-SD), with an upper bound of cell contractility estimated at 450 nN.

Convergence acceleration of the Proteus computer code with multigrid methods

NASA Technical Reports Server (NTRS)

Demuren, A. O.; Ibraheem, S. O.

1995-01-01

This report presents the results of a study to implement convergence acceleration techniques based on the multigrid concept in the two-dimensional and three-dimensional versions of the Proteus computer code. The first section presents a review of the relevant literature on the implementation of the multigrid methods in computer codes for compressible flow analysis. The next two sections present detailed stability analysis of numerical schemes for solving the Euler and Navier-Stokes equations, based on conventional von Neumann analysis and the bi-grid analysis, respectively. The next section presents details of the computational method used in the Proteus computer code. Finally, the multigrid implementation and applications to several two-dimensional and three-dimensional test problems are presented. The results of the present study show that the multigrid method always leads to a reduction in the number of iterations (or time steps) required for convergence. However, there is an overhead associated with the use of multigrid acceleration. The overhead is higher in 2-D problems than in 3-D problems, thus overall multigrid savings in CPU time are in general better in the latter. Savings of about 40-50 percent are typical in 3-D problems, but they are about 20-30 percent in large 2-D problems. The present multigrid method is applicable to steady-state problems and is therefore ineffective in problems with inherently unstable solutions.

Decoupling of the reparametrization degree of freedom and a generalized probability in quantum cosmology

NASA Astrophysics Data System (ADS)

Dimakis, N.; Terzis, Petros A.; Zampeli, Adamantia; Christodoulakis, T.

2016-09-01

The high degree of symmetry renders the dynamics of cosmological as well as some black hole spacetimes describable by a system of finite degrees of freedom. These systems are generally known as minisuperspace models. One of their important key features is the invariance of the corresponding reduced actions under reparametrizations of the independent variable, a fact that can be seen as the remnant of the general covariance of the full theory. In the case of a system of n degrees of freedom, described by a Lagrangian quadratic in velocities, one can use the lapse by either gauge fixing it or letting it be defined by the constraint and subsequently substitute into the rest of the equations. In the first case, the system of the second-order equations of motion is solvable for all n accelerations and the constraint becomes a restriction among constants of integration. In the second case, the system can be solved for only n -1 accelerations and the "gauge" freedom is transferred to the choice of one of the scalar degrees of freedom. In this paper, we take the second path and express all n -1 scalar degrees of freedom in terms of the remaining one, say q . By considering these n -1 degrees of freedom as arbitrary but given functions of q , we manage to extract a two-dimensional pure gauge system consisting of the lapse N and the arbitrary q : in a way, we decouple the reparametrization invariance from the rest of the equations of motion, which are thus describing the "true" dynamics. The solution of the corresponding quantum two-dimensional system is used for the definition of a generalized probability for every configuration fi(q ), be it classical or not. The main result is that, interestingly enough, this probability attains its extrema on the classical solution of the initial n -dimensional system.

Some exact solutions of (2+1)-dimensional Yang-Mills equations with the Chern-Simons term

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oh, C. H.; Sia, L. C.; Teh, R.

1989-07-15

Two /ital Ansa/$/ital uml/---/ital tze/ for the gauge field potential are given so that the(2+1)-dimensional Yang-Mills equations with the Chern-Simons termcan be solved in terms of the modified Bessel functions and the ellipticfunction respectively.

Analytical solutions of the two-dimensional Dirac equation for a topological channel intersection

NASA Astrophysics Data System (ADS)

Anglin, J. R.; Schulz, A.

2017-01-01

Numerical simulations in a tight-binding model have shown that an intersection of topologically protected one-dimensional chiral channels can function as a beam splitter for noninteracting fermions on a two-dimensional lattice [Qiao, Jung, and MacDonald, Nano Lett. 11, 3453 (2011), 10.1021/nl201941f; Qiao et al., Phys. Rev. Lett. 112, 206601 (2014), 10.1103/PhysRevLett.112.206601]. Here we confirm this result analytically in the corresponding continuum k .p model, by solving the associated two-dimensional Dirac equation, in the presence of a "checkerboard" potential that provides a right-angled intersection between two zero-line modes. The method by which we obtain our analytical solutions is systematic and potentially generalizable to similar problems involving intersections of one-dimensional systems.

Linearized compressible-flow theory for sonic flight speeds

NASA Technical Reports Server (NTRS)

Heaslet, Max A; Lomax, Harvard; Spreiter, John R

1950-01-01

The partial differential equation for the perturbation velocity potential is examined for free-stream Mach numbers close to and equal to one. It is found that, under the assumptions of linearized theory, solutions can be found consistent with the theory for lifting-surface problems both in stationary three-dimensional flow and in unsteady two-dimensional flow. Several examples are solved including a three dimensional swept-back wing and two dimensional harmonically-oscillating wing, both for a free stream Mach number equal to one. Momentum relations for the evaluation of wave and vortex drag are also discussed. (author)

A parallel algorithm for the two-dimensional time fractional diffusion equation with implicit difference method.

PubMed

Gong, Chunye; Bao, Weimin; Tang, Guojian; Jiang, Yuewen; Liu, Jie

2014-01-01

It is very time consuming to solve fractional differential equations. The computational complexity of two-dimensional fractional differential equation (2D-TFDE) with iterative implicit finite difference method is O(M(x)M(y)N(2)). In this paper, we present a parallel algorithm for 2D-TFDE and give an in-depth discussion about this algorithm. A task distribution model and data layout with virtual boundary are designed for this parallel algorithm. The experimental results show that the parallel algorithm compares well with the exact solution. The parallel algorithm on single Intel Xeon X5540 CPU runs 3.16-4.17 times faster than the serial algorithm on single CPU core. The parallel efficiency of 81 processes is up to 88.24% compared with 9 processes on a distributed memory cluster system. We do think that the parallel computing technology will become a very basic method for the computational intensive fractional applications in the near future.

Use of upscaled elevation and surface roughness data in two-dimensional surface water models

USGS Publications Warehouse

Hughes, J.D.; Decker, J.D.; Langevin, C.D.

2011-01-01

In this paper, we present an approach that uses a combination of cell-block- and cell-face-averaging of high-resolution cell elevation and roughness data to upscale hydraulic parameters and accurately simulate surface water flow in relatively low-resolution numerical models. The method developed allows channelized features that preferentially connect large-scale grid cells at cell interfaces to be represented in models where these features are significantly smaller than the selected grid size. The developed upscaling approach has been implemented in a two-dimensional finite difference model that solves a diffusive wave approximation of the depth-integrated shallow surface water equations using preconditioned Newton–Krylov methods. Computational results are presented to show the effectiveness of the mixed cell-block and cell-face averaging upscaling approach in maintaining model accuracy, reducing model run-times, and how decreased grid resolution affects errors. Application examples demonstrate that sub-grid roughness coefficient variations have a larger effect on simulated error than sub-grid elevation variations.

Physical Simulation for Probabilistic Motion Tracking

DTIC Science & Technology

2008-01-01

learn a low- dimensional embedding of the high-dimensional kinematic data and then attempt to solve the problem in this more man- ageable low...rotations and foot skate ). Such artifacts can be attributed to the general lack of physically plausible priors [2] (that can account for static and/or...temporal priors of the form p(xf+1|xf ) = N (xf + γf ,Σ) (where γf is scaled velocity learned or inferred), have also been proposed [13] and shown to

Heat conduction in one-dimensional aperiodic quantum Ising chains.

PubMed

Li, Wenjuan; Tong, Peiqing

2011-03-01

The heat conductivity of nonperiodic quantum Ising chains whose ends are connected with heat baths at different temperatures are studied numerically by solving the Lindblad master equation. The chains are subjected to a uniform transverse field h, while the exchange coupling J{m} between the nearest-neighbor spins takes the two values J{A} and J{B} arranged in Fibonacci, generalized Fibonacci, Thue-Morse, and period-doubling sequences. We calculate the energy-density profile and energy current of the resulting nonequilibrium steady states to study the heat-conducting behavior of finite but large systems. Although these nonperiodic quantum Ising chains are integrable, it is clearly found that energy gradients exist in all chains and the energy currents appear to scale as the system size ~N{α}. By increasing the ratio of couplings, the exponent α can be modulated from α > -1 to α < -1 corresponding to the nontrivial transition from the abnormal heat transport to the heat insulator. The influences of the temperature gradient and the magnetic field to heat conduction have also been discussed.

Manifold learning in machine vision and robotics

NASA Astrophysics Data System (ADS)

Bernstein, Alexander

2017-02-01

Smart algorithms are used in Machine vision and Robotics to organize or extract high-level information from the available data. Nowadays, Machine learning is an essential and ubiquitous tool to automate extraction patterns or regularities from data (images in Machine vision; camera, laser, and sonar sensors data in Robotics) in order to solve various subject-oriented tasks such as understanding and classification of images content, navigation of mobile autonomous robot in uncertain environments, robot manipulation in medical robotics and computer-assisted surgery, and other. Usually such data have high dimensionality, however, due to various dependencies between their components and constraints caused by physical reasons, all "feasible and usable data" occupy only a very small part in high dimensional "observation space" with smaller intrinsic dimensionality. Generally accepted model of such data is manifold model in accordance with which the data lie on or near an unknown manifold (surface) of lower dimensionality embedded in an ambient high dimensional observation space; real-world high-dimensional data obtained from "natural" sources meet, as a rule, this model. The use of Manifold learning technique in Machine vision and Robotics, which discovers a low-dimensional structure of high dimensional data and results in effective algorithms for solving of a large number of various subject-oriented tasks, is the content of the conference plenary speech some topics of which are in the paper.

A holographic model of the Kondo effect

NASA Astrophysics Data System (ADS)

Erdmenger, Johanna; Hoyos, Carlos; O'Bannon, Andy; Wu, Jackson

2013-12-01

We propose a model of the Kondo effect based on the Anti-de Sitter/Conformal Field Theory (AdS/CFT) correspondence, also known as holography. The Kondo effect is the screening of a magnetic impurity coupled anti-ferromagnetically to a bath of conduction electrons at low temperatures. In a (1+1)-dimensional CFT description, the Kondo effect is a renormalization group flow triggered by a marginally relevant (0+1)-dimensional operator between two fixed points with the same Kac-Moody current algebra. In the large- N limit, with spin SU( N) and charge U(1) symmetries, the Kondo effect appears as a (0+1)-dimensional second-order mean-field transition in which the U(1) charge symmetry is spontaneously broken. Our holographic model, which combines the CFT and large- N descriptions, is a Chern-Simons gauge field in (2+1)-dimensional AdS space, AdS 3, dual to the Kac-Moody current, coupled to a holographic superconductor along an AdS 2 sub-space. Our model exhibits several characteristic features of the Kondo effect, including a dynamically generated scale, a resistivity with power-law behavior in temperature at low temperatures, and a spectral flow producing a phase shift. Our holographic Kondo model may be useful for studying many open problems involving impurities, including for example the Kondo lattice problem.

Romans supergravity from five-dimensional holograms

NASA Astrophysics Data System (ADS)

Chang, Chi-Ming; Fluder, Martin; Lin, Ying-Hsuan; Wang, Yifan

2018-05-01

We study five-dimensional superconformal field theories and their holographic dual, matter-coupled Romans supergravity. On the one hand, some recently derived formulae allow us to extract the central charges from deformations of the supersymmetric five-sphere partition function, whose large N expansion can be computed using matrix model techniques. On the other hand, the conformal and flavor central charges can be extracted from the six-dimensional supergravity action, by carefully analyzing its embedding into type I' string theory. The results match on the two sides of the holographic duality. Our results also provide analytic evidence for the symmetry enhancement in five-dimensional superconformal field theories.

A reconstruction algorithm for three-dimensional object-space data using spatial-spectral multiplexing

NASA Astrophysics Data System (ADS)

Wu, Zhejun; Kudenov, Michael W.

2017-05-01

This paper presents a reconstruction algorithm for the Spatial-Spectral Multiplexing (SSM) optical system. The goal of this algorithm is to recover the three-dimensional spatial and spectral information of a scene, given that a one-dimensional spectrometer array is used to sample the pupil of the spatial-spectral modulator. The challenge of the reconstruction is that the non-parametric representation of the three-dimensional spatial and spectral object requires a large number of variables, thus leading to an underdetermined linear system that is hard to uniquely recover. We propose to reparameterize the spectrum using B-spline functions to reduce the number of unknown variables. Our reconstruction algorithm then solves the improved linear system via a least- square optimization of such B-spline coefficients with additional spatial smoothness regularization. The ground truth object and the optical model for the measurement matrix are simulated with both spatial and spectral assumptions according to a realistic field of view. In order to test the robustness of the algorithm, we add Poisson noise to the measurement and test on both two-dimensional and three-dimensional spatial and spectral scenes. Our analysis shows that the root mean square error of the recovered results can be achieved within 5.15%.

Solitary wave solutions of two-dimensional nonlinear Kadomtsev-Petviashvili dynamic equation in dust-acoustic plasmas

NASA Astrophysics Data System (ADS)

Seadawy, Aly R.

2017-09-01

Nonlinear two-dimensional Kadomtsev-Petviashvili (KP) equation governs the behaviour of nonlinear waves in dusty plasmas with variable dust charge and two temperature ions. By using the reductive perturbation method, the two-dimensional dust-acoustic solitary waves (DASWs) in unmagnetized cold plasma consisting of dust fluid, ions and electrons lead to a KP equation. We derived the solitary travelling wave solutions of the two-dimensional nonlinear KP equation by implementing sech-tanh, sinh-cosh, extended direct algebraic and fraction direct algebraic methods. We found the electrostatic field potential and electric field in the form travelling wave solutions for two-dimensional nonlinear KP equation. The solutions for the KP equation obtained by using these methods can be demonstrated precisely and efficiency. As an illustration, we used the readymade package of Mathematica program 10.1 to solve the original problem. These solutions are in good agreement with the analytical one.

NASTRAN computer system level 12.1

NASA Technical Reports Server (NTRS)

Butler, T. G.

1971-01-01

Program uses finite element displacement method for solving linear response of large, three-dimensional structures subject to static, dynamic, thermal, and random loadings. Program adapts to computers of different manufacture, permits up-dating and extention, allows interchange of output and input information between users, and is extensively documented.

Multiple Attribute Group Decision-Making Methods Based on Trapezoidal Fuzzy Two-Dimensional Linguistic Partitioned Bonferroni Mean Aggregation Operators.

PubMed

Yin, Kedong; Yang, Benshuo; Li, Xuemei

2018-01-24

In this paper, we investigate multiple attribute group decision making (MAGDM) problems where decision makers represent their evaluation of alternatives by trapezoidal fuzzy two-dimensional uncertain linguistic variable. To begin with, we introduce the definition, properties, expectation, operational laws of trapezoidal fuzzy two-dimensional linguistic information. Then, to improve the accuracy of decision making in some case where there are a sort of interrelationship among the attributes, we analyze partition Bonferroni mean (PBM) operator in trapezoidal fuzzy two-dimensional variable environment and develop two operators: trapezoidal fuzzy two-dimensional linguistic partitioned Bonferroni mean (TF2DLPBM) aggregation operator and trapezoidal fuzzy two-dimensional linguistic weighted partitioned Bonferroni mean (TF2DLWPBM) aggregation operator. Furthermore, we develop a novel method to solve MAGDM problems based on TF2DLWPBM aggregation operator. Finally, a practical example is presented to illustrate the effectiveness of this method and analyses the impact of different parameters on the results of decision-making.

Multiple Attribute Group Decision-Making Methods Based on Trapezoidal Fuzzy Two-Dimensional Linguistic Partitioned Bonferroni Mean Aggregation Operators

PubMed Central

Yin, Kedong; Yang, Benshuo

2018-01-01

In this paper, we investigate multiple attribute group decision making (MAGDM) problems where decision makers represent their evaluation of alternatives by trapezoidal fuzzy two-dimensional uncertain linguistic variable. To begin with, we introduce the definition, properties, expectation, operational laws of trapezoidal fuzzy two-dimensional linguistic information. Then, to improve the accuracy of decision making in some case where there are a sort of interrelationship among the attributes, we analyze partition Bonferroni mean (PBM) operator in trapezoidal fuzzy two-dimensional variable environment and develop two operators: trapezoidal fuzzy two-dimensional linguistic partitioned Bonferroni mean (TF2DLPBM) aggregation operator and trapezoidal fuzzy two-dimensional linguistic weighted partitioned Bonferroni mean (TF2DLWPBM) aggregation operator. Furthermore, we develop a novel method to solve MAGDM problems based on TF2DLWPBM aggregation operator. Finally, a practical example is presented to illustrate the effectiveness of this method and analyses the impact of different parameters on the results of decision-making. PMID:29364849

Numerical simulation of two-dimensional heat transfer in composite bodies with application to de-icing of aircraft components. Ph.D. Thesis. Final Report

NASA Technical Reports Server (NTRS)

Chao, D. F. K.

1983-01-01

Transient, numerical simulations of the de-icing of composite aircraft components by electrothermal heating were performed for a two dimensional rectangular geometry. The implicit Crank-Nicolson formulation was used to insure stability of the finite-difference heat conduction equations and the phase change in the ice layer was simulated using the Enthalpy method. The Gauss-Seidel point iterative method was used to solve the system of difference equations. Numerical solutions illustrating de-icer performance for various composite aircraft structures and environmental conditions are presented. Comparisons are made with previous studies. The simulation can also be used to solve a variety of other heat conduction problems involving composite bodies.

A Performance Comparison of the Parallel Preconditioners for Iterative Methods for Large Sparse Linear Systems Arising from Partial Differential Equations on Structured Grids

NASA Astrophysics Data System (ADS)

Ma, Sangback

In this paper we compare various parallel preconditioners such as Point-SSOR (Symmetric Successive OverRelaxation), ILU(0) (Incomplete LU) in the Wavefront ordering, ILU(0) in the Multi-color ordering, Multi-Color Block SOR (Successive OverRelaxation), SPAI (SParse Approximate Inverse) and pARMS (Parallel Algebraic Recursive Multilevel Solver) for solving large sparse linear systems arising from two-dimensional PDE (Partial Differential Equation)s on structured grids. Point-SSOR is well-known, and ILU(0) is one of the most popular preconditioner, but it is inherently serial. ILU(0) in the Wavefront ordering maximizes the parallelism in the natural order, but the lengths of the wave-fronts are often nonuniform. ILU(0) in the Multi-color ordering is a simple way of achieving a parallelism of the order N, where N is the order of the matrix, but its convergence rate often deteriorates as compared to that of natural ordering. We have chosen the Multi-Color Block SOR preconditioner combined with direct sparse matrix solver, since for the Laplacian matrix the SOR method is known to have a nondeteriorating rate of convergence when used with the Multi-Color ordering. By using block version we expect to minimize the interprocessor communications. SPAI computes the sparse approximate inverse directly by least squares method. Finally, ARMS is a preconditioner recursively exploiting the concept of independent sets and pARMS is the parallel version of ARMS. Experiments were conducted for the Finite Difference and Finite Element discretizations of five two-dimensional PDEs with large meshsizes up to a million on an IBM p595 machine with distributed memory. Our matrices are real positive, i. e., their real parts of the eigenvalues are positive. We have used GMRES(m) as our outer iterative method, so that the convergence of GMRES(m) for our test matrices are mathematically guaranteed. Interprocessor communications were done using MPI (Message Passing Interface) primitives. The results show that in general ILU(0) in the Multi-Color ordering ahd ILU(0) in the Wavefront ordering outperform the other methods but for symmetric and nearly symmetric 5-point matrices Multi-Color Block SOR gives the best performance, except for a few cases with a small number of processors.

Aeroacoustics of Turbulent High-Speed Jets

NASA Technical Reports Server (NTRS)

Rao, Ram Mohan; Lundgren, Thomas S.

1996-01-01

Aeroacoustic noise generation in a supersonic round jet is studied to understand in particular the effect of turbulence structure on the noise without numerically compromising the turbulence itself. This means that direct numerical simulations (DNS's) are needed. In order to use DNS at high enough Reynolds numbers to get sufficient turbulence structure we have decided to solve the temporal jet problem, using periodicity in the direction of the jet axis. Physically this means that turbulent structures in the jet are repeated in successive downstream cells instead of being gradually modified downstream into a jet plume. Therefore in order to answer some questions about the turbulence we will partially compromise the overall structure of the jet. The first section of chapter 1 describes some work on the linear stability of a supersonic round jet and the implications of this for the jet noise problem. In the second section we present preliminary work done using a TVD numerical scheme on a CM5. This work is only two-dimensional (plane) but shows very interesting results, including weak shock waves. However this is a nonviscous computation and the method resolves the shocks by adding extra numerical dissipation where the gradients are large. One wonders whether the extra dissipation would influence small turbulent structures like small intense vortices. The second chapter is an extensive discussion of preliminary numerical work using the spectral method to solve the compressible Navier-Stokes equations to study turbulent jet flows. The method uses Fourier expansions in the azimuthal and streamwise direction and a 1-D B-spline basis representation in the radial direction. The B-spline basis is locally supported and this ensures block diagonal matrix equations which are solved in O(N) steps. A very accurate highly resolved DNS of a turbulent jet flow is expected.

Recent Progress on Ferroelectric Polymer-Based Nanocomposites for High Energy Density Capacitors: Synthesis, Dielectric Properties, and Future Aspects.

PubMed

Prateek; Thakur, Vijay Kumar; Gupta, Raju Kumar

2016-04-13

Dielectric polymer nanocomposites are rapidly emerging as novel materials for a number of advanced engineering applications. In this Review, we present a comprehensive review of the use of ferroelectric polymers, especially PVDF and PVDF-based copolymers/blends as potential components in dielectric nanocomposite materials for high energy density capacitor applications. Various parameters like dielectric constant, dielectric loss, breakdown strength, energy density, and flexibility of the polymer nanocomposites have been thoroughly investigated. Fillers with different shapes have been found to cause significant variation in the physical and electrical properties. Generally, one-dimensional and two-dimensional nanofillers with large aspect ratios provide enhanced flexibility versus zero-dimensional fillers. Surface modification of nanomaterials as well as polymers adds flavor to the dielectric properties of the resulting nanocomposites. Nowadays, three-phase nanocomposites with either combination of fillers or polymer matrix help in further improving the dielectric properties as compared to two-phase nanocomposites. Recent research has been focused on altering the dielectric properties of different materials while also maintaining their superior flexibility. Flexible polymer nanocomposites are the best candidates for application in various fields. However, certain challenges still present, which can be solved only by extensive research in this field.

Three-dimensional time dependent computation of turbulent flow

NASA Technical Reports Server (NTRS)

Kwak, D.; Reynolds, W. C.; Ferziger, J. H.

1975-01-01

The three-dimensional, primitive equations of motion are solved numerically for the case of isotropic box turbulence and the distortion of homogeneous turbulence by irrotational plane strain at large Reynolds numbers. A Gaussian filter is applied to governing equations to define the large scale field. This gives rise to additional second order computed scale stresses (Leonard stresses). The residual stresses are simulated through an eddy viscosity. Uniform grids are used, with a fourth order differencing scheme in space and a second order Adams-Bashforth predictor for explicit time stepping. The results are compared to the experiments and statistical information extracted from the computer generated data.

Calculation of three-dimensional compressible laminar and turbulent boundary layers. Calculation of three-dimensional compressible boundary layers on arbitrary wings

NASA Technical Reports Server (NTRS)

Cebeci, T.; Kaups, K.; Ramsey, J.; Moser, A.

1975-01-01

A very general method for calculating compressible three-dimensional laminar and turbulent boundary layers on arbitrary wings is described. The method utilizes a nonorthogonal coordinate system for the boundary-layer calculations and includes a geometry package that represents the wing analytically. In the calculations all the geometric parameters of the coordinate system are accounted for. The Reynolds shear-stress terms are modeled by an eddy-viscosity formulation developed by Cebeci. The governing equations are solved by a very efficient two-point finite-difference method used earlier by Keller and Cebeci for two-dimensional flows and later by Cebeci for three-dimensional flows.

The Ames two-dimensional stratosphere-mesospheric model. [chemistry and transport of SST pollution

NASA Technical Reports Server (NTRS)

Whitten, R. C.; Borucki, W. J.; Watson, V. R.; Capone, L. A.; Maples, A. L.; Riegel, C. A.

1974-01-01

A two-dimensional model of the stratosphere and mesosphere has recently been developed at Ames Research Center. The model contains chemistry based on 18 species that are solved for at each step and a seasonally-varying transport model based on both winds and eddy transport. The model is described and a preliminary assessment of the impact of supersonic aircraft flights on the ozone layer is given.

Visualizing the Topical Structure of the Medical Sciences: A Self-Organizing Map Approach

PubMed Central

Skupin, André; Biberstine, Joseph R.; Börner, Katy

2013-01-01

Background We implement a high-resolution visualization of the medical knowledge domain using the self-organizing map (SOM) method, based on a corpus of over two million publications. While self-organizing maps have been used for document visualization for some time, (1) little is known about how to deal with truly large document collections in conjunction with a large number of SOM neurons, (2) post-training geometric and semiotic transformations of the SOM tend to be limited, and (3) no user studies have been conducted with domain experts to validate the utility and readability of the resulting visualizations. Our study makes key contributions to all of these issues. Methodology Documents extracted from Medline and Scopus are analyzed on the basis of indexer-assigned MeSH terms. Initial dimensionality is reduced to include only the top 10% most frequent terms and the resulting document vectors are then used to train a large SOM consisting of over 75,000 neurons. The resulting two-dimensional model of the high-dimensional input space is then transformed into a large-format map by using geographic information system (GIS) techniques and cartographic design principles. This map is then annotated and evaluated by ten experts stemming from the biomedical and other domains. Conclusions Study results demonstrate that it is possible to transform a very large document corpus into a map that is visually engaging and conceptually stimulating to subject experts from both inside and outside of the particular knowledge domain. The challenges of dealing with a truly large corpus come to the fore and require embracing parallelization and use of supercomputing resources to solve otherwise intractable computational tasks. Among the envisaged future efforts are the creation of a highly interactive interface and the elaboration of the notion of this map of medicine acting as a base map, onto which other knowledge artifacts could be overlaid. PMID:23554924

Beating the curse of dimension with accurate statistics for the Fokker-Planck equation in complex turbulent systems.

PubMed

Chen, Nan; Majda, Andrew J

2017-12-05

Solving the Fokker-Planck equation for high-dimensional complex dynamical systems is an important issue. Recently, the authors developed efficient statistically accurate algorithms for solving the Fokker-Planck equations associated with high-dimensional nonlinear turbulent dynamical systems with conditional Gaussian structures, which contain many strong non-Gaussian features such as intermittency and fat-tailed probability density functions (PDFs). The algorithms involve a hybrid strategy with a small number of samples [Formula: see text], where a conditional Gaussian mixture in a high-dimensional subspace via an extremely efficient parametric method is combined with a judicious Gaussian kernel density estimation in the remaining low-dimensional subspace. In this article, two effective strategies are developed and incorporated into these algorithms. The first strategy involves a judicious block decomposition of the conditional covariance matrix such that the evolutions of different blocks have no interactions, which allows an extremely efficient parallel computation due to the small size of each individual block. The second strategy exploits statistical symmetry for a further reduction of [Formula: see text] The resulting algorithms can efficiently solve the Fokker-Planck equation with strongly non-Gaussian PDFs in much higher dimensions even with orders in the millions and thus beat the curse of dimension. The algorithms are applied to a [Formula: see text]-dimensional stochastic coupled FitzHugh-Nagumo model for excitable media. An accurate recovery of both the transient and equilibrium non-Gaussian PDFs requires only [Formula: see text] samples! In addition, the block decomposition facilitates the algorithms to efficiently capture the distinct non-Gaussian features at different locations in a [Formula: see text]-dimensional two-layer inhomogeneous Lorenz 96 model, using only [Formula: see text] samples. Copyright © 2017 the Author(s). Published by PNAS.

A three-dimensional turbulent separated flow and related mesurements

NASA Technical Reports Server (NTRS)

Pierce, F. J.

1985-01-01

The applicability of and the limits on the applicability of 11 near wall similarity laws characterizing three-dimensional turbulent boundary layer flows were determined. A direct force sensing local wall shear stress meter was used in both pressure-driven and shear-driven three-dimensional turbulent boundary layers, together with extensive mean velocity field and wall pressure field data. This resulted in a relatively large number of graphical comparisons of the predictive ability of 10 of these 11 similarity models relative to measured data over a wide range of flow conditions. Documentation of a complex, separated three-dimensional turbulent flow as a standard test case for evaluating the predictive ability of numerical codes solving such flows is presented.

Counselor-Assisted Problem Solving (CAPS) Improves Behavioral Outcomes in Older Adolescents with Complicated Mild to Severe TBI

PubMed Central

Wade, Shari L.; Stancin, Terry; Kirkwood, Michael; Brown, Tanya Maines; Rochester, Mayo Clinic; McMullen, Kendra M.; Taylor, H. Gerry

2013-01-01

Objective To test the efficacy of Counselor-Assisted Problem Solving (CAPS) versus an internet resources comparison (IRC) condition in reducing behavior problems in adolescents following traumatic brain injury (TBI). Design Randomized clinical trial with interviewers naïve to treatment condition. Setting Three large tertiary children's hospitals and two general hospitals with pediatric commitment. Participants 132 children ages 12-17 years hospitalized during the previous 6 months for moderate to severe TBI. Interventions Participants in CAPS (n = 65) completed 8-12 online modules providing training in problem solving, communication skills, and self-regulation and subsequent synchronous videoconferences with a therapist. Participants in the IRC group (n = 67) received links to internet resources about pediatric TBI. Main Outcome Measures Child Behavior Checklist (CBCL) administered before and after completion of treatment (i.e., approximately six months after treatment initiation). Results Post hoc analysis of covariance (ANCOVA), controlling for pre-treatment scores, was used to examine group differences in behavior problems in the entire sample and among older (n=59) and younger adolescents (n=53). Among older but not younger adolescents, CAPS resulted in greater improvements on multiple dimensions of externalizing behavior problems than did IRC. Conclusion Online problem-solving therapy may be effective in reducing behavior problems in older adolescent survivors of moderate-severe TBI. PMID:23640543

Fortran programs for the time-dependent Gross-Pitaevskii equation in a fully anisotropic trap

NASA Astrophysics Data System (ADS)

Muruganandam, P.; Adhikari, S. K.

2009-10-01

Here we develop simple numerical algorithms for both stationary and non-stationary solutions of the time-dependent Gross-Pitaevskii (GP) equation describing the properties of Bose-Einstein condensates at ultra low temperatures. In particular, we consider algorithms involving real- and imaginary-time propagation based on a split-step Crank-Nicolson method. In a one-space-variable form of the GP equation we consider the one-dimensional, two-dimensional circularly-symmetric, and the three-dimensional spherically-symmetric harmonic-oscillator traps. In the two-space-variable form we consider the GP equation in two-dimensional anisotropic and three-dimensional axially-symmetric traps. The fully-anisotropic three-dimensional GP equation is also considered. Numerical results for the chemical potential and root-mean-square size of stationary states are reported using imaginary-time propagation programs for all the cases and compared with previously obtained results. Also presented are numerical results of non-stationary oscillation for different trap symmetries using real-time propagation programs. A set of convenient working codes developed in Fortran 77 are also provided for all these cases (twelve programs in all). In the case of two or three space variables, Fortran 90/95 versions provide some simplification over the Fortran 77 programs, and these programs are also included (six programs in all). Program summaryProgram title: (i) imagetime1d, (ii) imagetime2d, (iii) imagetime3d, (iv) imagetimecir, (v) imagetimesph, (vi) imagetimeaxial, (vii) realtime1d, (viii) realtime2d, (ix) realtime3d, (x) realtimecir, (xi) realtimesph, (xii) realtimeaxial Catalogue identifier: AEDU_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEDU_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 122 907 No. of bytes in distributed program, including test data, etc.: 609 662 Distribution format: tar.gz Programming language: FORTRAN 77 and Fortran 90/95 Computer: PC Operating system: Linux, Unix RAM: 1 GByte (i, iv, v), 2 GByte (ii, vi, vii, x, xi), 4 GByte (iii, viii, xii), 8 GByte (ix) Classification: 2.9, 4.3, 4.12 Nature of problem: These programs are designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in one-, two- or three-space dimensions with a harmonic, circularly-symmetric, spherically-symmetric, axially-symmetric or anisotropic trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Solution method: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation, in either imaginary or real time, over small time steps. The method yields the solution of stationary and/or non-stationary problems. Additional comments: This package consists of 12 programs, see "Program title", above. FORTRAN77 versions are provided for each of the 12 and, in addition, Fortran 90/95 versions are included for ii, iii, vi, viii, ix, xii. For the particular purpose of each program please see the below. Running time: Minutes on a medium PC (i, iv, v, vii, x, xi), a few hours on a medium PC (ii, vi, viii, xii), days on a medium PC (iii, ix). Program summary (1)Title of program: imagtime1d.F Title of electronic file: imagtime1d.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 1 GByte Programming language used: Fortran 77 Typical running time: Minutes on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in one-space dimension with a harmonic trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in imaginary time over small time steps. The method yields the solution of stationary problems. Program summary (2)Title of program: imagtimecir.F Title of electronic file: imagtimecir.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 1 GByte Programming language used: Fortran 77 Typical running time: Minutes on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in two-space dimensions with a circularly-symmetric trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in imaginary time over small time steps. The method yields the solution of stationary problems. Program summary (3)Title of program: imagtimesph.F Title of electronic file: imagtimesph.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 1 GByte Programming language used: Fortran 77 Typical running time: Minutes on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in three-space dimensions with a spherically-symmetric trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in imaginary time over small time steps. The method yields the solution of stationary problems. Program summary (4)Title of program: realtime1d.F Title of electronic file: realtime1d.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 2 GByte Programming language used: Fortran 77 Typical running time: Minutes on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in one-space dimension with a harmonic trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in real time over small time steps. The method yields the solution of stationary and non-stationary problems. Program summary (5)Title of program: realtimecir.F Title of electronic file: realtimecir.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 2 GByte Programming language used: Fortran 77 Typical running time: Minutes on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in two-space dimensions with a circularly-symmetric trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in real time over small time steps. The method yields the solution of stationary and non-stationary problems. Program summary (6)Title of program: realtimesph.F Title of electronic file: realtimesph.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 2 GByte Programming language used: Fortran 77 Typical running time: Minutes on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in three-space dimensions with a spherically-symmetric trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in real time over small time steps. The method yields the solution of stationary and non-stationary problems. Program summary (7)Title of programs: imagtimeaxial.F and imagtimeaxial.f90 Title of electronic file: imagtimeaxial.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 2 GByte Programming language used: Fortran 77 and Fortran 90 Typical running time: Few hours on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in three-space dimensions with an axially-symmetric trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in imaginary time over small time steps. The method yields the solution of stationary problems. Program summary (8)Title of program: imagtime2d.F and imagtime2d.f90 Title of electronic file: imagtime2d.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 2 GByte Programming language used: Fortran 77 and Fortran 90 Typical running time: Few hours on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in two-space dimensions with an anisotropic trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in imaginary time over small time steps. The method yields the solution of stationary problems. Program summary (9)Title of program: realtimeaxial.F and realtimeaxial.f90 Title of electronic file: realtimeaxial.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 4 GByte Programming language used: Fortran 77 and Fortran 90 Typical running time Hours on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in three-space dimensions with an axially-symmetric trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in real time over small time steps. The method yields the solution of stationary and non-stationary problems. Program summary (10)Title of program: realtime2d.F and realtime2d.f90 Title of electronic file: realtime2d.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 4 GByte Programming language used: Fortran 77 and Fortran 90 Typical running time: Hours on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in two-space dimensions with an anisotropic trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in real time over small time steps. The method yields the solution of stationary and non-stationary problems. Program summary (11)Title of program: imagtime3d.F and imagtime3d.f90 Title of electronic file: imagtime3d.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 4 GByte Programming language used: Fortran 77 and Fortran 90 Typical running time: Few days on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in three-space dimensions with an anisotropic trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in imaginary time over small time steps. The method yields the solution of stationary problems. Program summary (12)Title of program: realtime3d.F and realtime3d.f90 Title of electronic file: realtime3d.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum Ram Memory: 8 GByte Programming language used: Fortran 77 and Fortran 90 Typical running time: Days on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in three-space dimensions with an anisotropic trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in real time over small time steps. The method yields the solution of stationary and non-stationary problems.

Anhydrous 1:1 proton-transfer compounds of isonipecotamide with picric acid and 3,5-dinitrosalicylic acid: 4-carbamoylpiperidinium 2,4,6-trinitrophenolate and two polymorphs of 4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate.

PubMed

Smith, Graham; Wermuth, Urs D

2010-12-01

The structures of the anhydrous 1:1 proton-transfer compounds of isonipecotamide (piperidine-4-carboxamide) with picric acid and 3,5-dinitrosalicylic acid, namely 4-carbamoylpiperidinium 2,4,6-trinitrophenolate, C(6)H(13)N(2)O(+)·C(6)H(2)N(3)O(7)(-), (I), and 4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate [two forms of which were found, the monoclinic α-polymorph, (II), and the triclinic β-polymorph, (III)], C(6)H(13)N(2)O(+)·C(7)H(3)N(2)O(7)(-), have been determined at 200 K. All three compounds form hydrogen-bonded structures, viz. one-dimensional in (II), two-dimensional in (I) and three-dimensional in (III). In (I), the cations form centrosymmetric cyclic head-to-tail hydrogen-bonded homodimers [graph set R(2)(2)(14)] through lateral duplex piperidinium-amide N-H...O interactions. These dimers are extended into a two-dimensional network structure through further interactions with phenolate and nitro O-atom acceptors, including a direct symmetric piperidinium-phenol/nitro N-H...O,O cation-anion association [graph set R(1)(2)(6)]. The monoclinic polymorph, (II), has a similar R(1)(2)(6) cation-anion hydrogen-bonding interaction to (I) but with an additional conjoint symmetrical R(1)(2)(4) interaction as well as head-to-tail piperidinium-amide N-H...O,O hydrogen bonds and amide-carboxyl N-H...O hydrogen bonds, giving a network structure which includes large R(4)(3)(20) rings. The hydrogen bonding in the triclinic polymorph, (III), is markedly different from that of monoclinic (II). The asymmetric unit contains two independent cation-anion pairs which associate through cyclic piperidinium-carboxyl N-H...O,O' interactions [graph set R(1)(2)(4)]. The cations also show the zigzag head-to-tail piperidinium-amide N-H...O hydrogen-bonded chain substructures found in (II), but in addition feature amide-nitro and amide-phenolate N-H...O associations. As well, there is a centrosymmetric double-amide N-H...O(carboxyl) bridged bis(cation-anion) ring system [graph set R(4)(2)(8)] in the three-dimensional framework. The structures reported here demonstrate the utility of the isonipecotamide cation as a synthon with previously unrecognized potential for structure assembly applications. Furthermore, the structures of the two polymorphic 3,5-dinitrosalicylic acid salts show an unusual dissimilarity in hydrogen-bonding characteristics, considering that both were obtained from identical solvent systems.

Uniform high order spectral methods for one and two dimensional Euler equations

NASA Technical Reports Server (NTRS)

Cai, Wei; Shu, Chi-Wang

1991-01-01

Uniform high order spectral methods to solve multi-dimensional Euler equations for gas dynamics are discussed. Uniform high order spectral approximations with spectral accuracy in smooth regions of solutions are constructed by introducing the idea of the Essentially Non-Oscillatory (ENO) polynomial interpolations into the spectral methods. The authors present numerical results for the inviscid Burgers' equation, and for the one dimensional Euler equations including the interactions between a shock wave and density disturbance, Sod's and Lax's shock tube problems, and the blast wave problem. The interaction between a Mach 3 two dimensional shock wave and a rotating vortex is simulated.

Emergent Ising degrees of freedom above a double-stripe magnetic ground state [Emergent Ising degrees of freedom above double-stripe magnetism

DOE PAGES

Zhang, Guanghua; Flint, Rebecca

2017-12-27

Here, double-stripe magnetism [Q=(π/2,π/2)] has been proposed as the magnetic ground state for both the iron-telluride and BaTi 2Sb 2O families of superconductors. Double-stripe order is captured within a J 1–J 2–J 3 Heisenberg model in the regime J 3 >> J 2 >> J 1. Intriguingly, besides breaking spin-rotational symmetry, the ground-state manifold has three additional Ising degrees of freedom associated with bond ordering. Via their coupling to the lattice, they give rise to an orthorhombic distortion and to two nonuniform lattice distortions with wave vector (π,π). Because the ground state is fourfold degenerate, modulo rotations in spin space,more » only two of these Ising bond order parameters are independent. Here, we introduce an effective field theory to treat all Ising order parameters, as well as magnetic order, and solve it within a large-N limit. All three transitions, corresponding to the condensations of two Ising bond order parameters and one magnetic order parameter are simultaneous and first order in three dimensions, but lower dimensionality, or equivalently weaker interlayer coupling, and weaker magnetoelastic coupling can split the three transitions, and in some cases allows for two separate Ising phase transitions above the magnetic one.« less

Emergent Ising degrees of freedom above a double-stripe magnetic ground state [Emergent Ising degrees of freedom above double-stripe magnetism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Guanghua; Flint, Rebecca

Here, double-stripe magnetism [Q=(π/2,π/2)] has been proposed as the magnetic ground state for both the iron-telluride and BaTi 2Sb 2O families of superconductors. Double-stripe order is captured within a J 1–J 2–J 3 Heisenberg model in the regime J 3 >> J 2 >> J 1. Intriguingly, besides breaking spin-rotational symmetry, the ground-state manifold has three additional Ising degrees of freedom associated with bond ordering. Via their coupling to the lattice, they give rise to an orthorhombic distortion and to two nonuniform lattice distortions with wave vector (π,π). Because the ground state is fourfold degenerate, modulo rotations in spin space,more » only two of these Ising bond order parameters are independent. Here, we introduce an effective field theory to treat all Ising order parameters, as well as magnetic order, and solve it within a large-N limit. All three transitions, corresponding to the condensations of two Ising bond order parameters and one magnetic order parameter are simultaneous and first order in three dimensions, but lower dimensionality, or equivalently weaker interlayer coupling, and weaker magnetoelastic coupling can split the three transitions, and in some cases allows for two separate Ising phase transitions above the magnetic one.« less

Heat transfer in porous medium embedded with vertical plate: Non-equilibrium approach - Part B

DOE Office of Scientific and Technical Information (OSTI.GOV)

Quadir, G. A., E-mail: Irfan-magami@Rediffmail.com, E-mail: gaquadir@gmail.com; Badruddin, Irfan Anjum

2016-06-08

This work is continuation of the paper Part A. Due to large number of results, the paper is divided into two section with section-A (Part A) discussing the effect of various parameters such as heat transfer coefficient parameter, thermal conductivity ratio etc. on streamlines and isothermal lines. Section-B highlights the heat transfer characteristics in terms of Nusselt number The Darcy model is employed to simulate the flow inside the medium. It is assumed that the heat transfer takes place by convection and radiation. The governing partial differential equations are converted into non-dimensional form and solved numerically using finite element method.

Hall-Effect Thruster Simulations with 2-D Electron Transport and Hydrodynamic Ions

NASA Technical Reports Server (NTRS)

Mikellides, Ioannis G.; Katz, Ira; Hofer, Richard H.; Goebel, Dan M.

2009-01-01

A computational approach that has been used extensively in the last two decades for Hall thruster simulations is to solve a diffusion equation and energy conservation law for the electrons in a direction that is perpendicular to the magnetic field, and use discrete-particle methods for the heavy species. This "hybrid" approach has allowed for the capture of bulk plasma phenomena inside these thrusters within reasonable computational times. Regions of the thruster with complex magnetic field arrangements (such as those near eroded walls and magnets) and/or reduced Hall parameter (such as those near the anode and the cathode plume) challenge the validity of the quasi-one-dimensional assumption for the electrons. This paper reports on the development of a computer code that solves numerically the 2-D axisymmetric vector form of Ohm's law, with no assumptions regarding the rate of electron transport in the parallel and perpendicular directions. The numerical challenges related to the large disparity of the transport coefficients in the two directions are met by solving the equations in a computational mesh that is aligned with the magnetic field. The fully-2D approach allows for a large physical domain that extends more than five times the thruster channel length in the axial direction, and encompasses the cathode boundary. Ions are treated as an isothermal, cold (relative to the electrons) fluid, accounting for charge-exchange and multiple-ionization collisions in the momentum equations. A first series of simulations of two Hall thrusters, namely the BPT-4000 and a 6-kW laboratory thruster, quantifies the significance of ion diffusion in the anode region and the importance of the extended physical domain on studies related to the impact of the transport coefficients on the electron flow field.

Problems of interaction longitudinal shear waves with V-shape tunnels defect

NASA Astrophysics Data System (ADS)

Popov, V. G.

2018-04-01

The problem of determining the two-dimensional dynamic stress state near a tunnel defect of V-shaped cross-section is solved. The defect is located in an infinite elastic medium, where harmonic longitudinal shear waves are propagating. The initial problem is reduced to a system of two singular integral or integro-differential equations with fixed singularities. A numerical method for solving these systems with regard to the true asymptotics of the unknown functions is developed.

The construction of a two-dimensional reproducing kernel function and its application in a biomedical model.

PubMed

Guo, Qi; Shen, Shu-Ting

2016-04-29

There are two major classes of cardiac tissue models: the ionic model and the FitzHugh-Nagumo model. During computer simulation, each model entails solving a system of complex ordinary differential equations and a partial differential equation with non-flux boundary conditions. The reproducing kernel method possesses significant applications in solving partial differential equations. The derivative of the reproducing kernel function is a wavelet function, which has local properties and sensitivities to singularity. Therefore, study on the application of reproducing kernel would be advantageous. Applying new mathematical theory to the numerical solution of the ventricular muscle model so as to improve its precision in comparison with other methods at present. A two-dimensional reproducing kernel function inspace is constructed and applied in computing the solution of two-dimensional cardiac tissue model by means of the difference method through time and the reproducing kernel method through space. Compared with other methods, this method holds several advantages such as high accuracy in computing solutions, insensitivity to different time steps and a slow propagation speed of error. It is suitable for disorderly scattered node systems without meshing, and can arbitrarily change the location and density of the solution on different time layers. The reproducing kernel method has higher solution accuracy and stability in the solutions of the two-dimensional cardiac tissue model.

An exact solution of the van der Waals interaction between two ground-state hydrogen atoms

NASA Astrophysics Data System (ADS)

Koga, Toshikatsu; Matsumoto, Shinya

1985-06-01

A momentum space treatment shows that perturbation equations for the H(1s)-H(1s) van der Waals interaction can be exactly solved in their Schrödinger forms without invoking any variational methods. Using the Fock transformation, which projects the momentum vector of an electron from the three-dimensional hyperplane onto the four-dimensional hypersphere, we solve the third order integral-type perturbation equation with respect to the reciprocal of the internuclear distance R. An exact third order wave function is found as a linear combination of infinite number of four-dimensional spherical harmonics. The result allows us to evaluate the exact dispersion energy E6R-6, which is completely determined by the first three coefficients of the above linear combination.

Optimal leveling of flow over one-dimensional topography by Marangoni stresses

NASA Astrophysics Data System (ADS)

Gramlich, C. M.; Homsy, G. M.; Kalliadasis, Serafim

2001-11-01

A thin viscous film flowing over a step down in topography exhibits a capillary ridge near the step, which may be undesirable in applications. This paper investigates optimal leveling of the ridge by means of a Marangoni stress such as might be produced by a localized heater creating temperature variations at the film surface. Lubrication theory results in a differential equation for the free surface, which can be solved numerically for any given topography and temperature profile. Leveling the ridge is then formulated as an optimization problem to minimize the maximum free-surface height by varying the heater strength, position, and width. Optimized heaters with 'top-hat' or parabolic temperature profiles replace the original ridge with two smaller ridges of equal size, achieving leveling of better than 50%. An optimized asymmetric n-step temperature distribution results in (n+1) ridges and reduces the variation in surface height by a factor of better than 1/(n+1).

Spin-Imbalanced Quasi-Two-Dimensional Fermi Gases

NASA Astrophysics Data System (ADS)

Ong, W.; Cheng, Chingyun; Arakelyan, I.; Thomas, J. E.

2015-03-01

We measure the density profiles for a Fermi gas of Li 6 containing N1 spin-up atoms and N2 spin-down atoms, confined in a quasi-two-dimensional geometry. The spatial profiles are measured as a function of spin imbalance N2/N1 and interaction strength, which is controlled by means of a collisional (Feshbach) resonance. The measured cloud radii and central densities are in disagreement with mean-field Bardeen-Cooper-Schrieffer theory for a true two-dimensional system. We find that the data for normal-fluid mixtures are reasonably well fit by a simple two-dimensional polaron model of the free energy. Not predicted by the model is a phase transition to a spin-balanced central core, which is observed above a critical value of N2/N1. Our observations provide important benchmarks for predictions of the phase structure of quasi-two-dimensional Fermi gases.

On the Transition from Two-Dimensional to Three-Dimensional MHD Turbulence

NASA Technical Reports Server (NTRS)

Thess, A.; Zikanov, Oleg

2004-01-01

We report a theoretical investigation of the robustness of two-dimensional inviscid MHD flows at low magnetic Reynolds numbers with respect to three-dimensional perturbations. We analyze three model problems, namely flow in the interior of a triaxial ellipsoid, an unbounded vortex with elliptical streamlines, and a vortex sheet parallel to the magnetic field. We demonstrate that motion perpendicular to the magnetic field with elliptical streamlines becomes unstable with respect to the elliptical instability once the velocity has reached a critical magnitude whose value tends to zero as the eccentricity of the streamlines becomes large. Furthermore, vortex sheets parallel to the magnetic field, which are unstable for any velocity and any magnetic field, are found to emit eddies with vorticity perpendicular to the magnetic field and with an aspect ratio proportional to N(sup 1/2). The results suggest that purely two-dimensional motion without Joule energy dissipation is a singular type of flow which does not represent the asymptotic behaviour of three-dimensional MHD turbulence in the limit of infinitely strong magnetic fields.

Piston flow in a two-dimensional channel

NASA Astrophysics Data System (ADS)

Katopodes, Fotini V.; Davis, A. M. J.; Stone, H. A.

2000-05-01

A solution using biorthogonal eigenfunctions is presented for viscous flow caused by a piston in a two-dimensional channel. The resulting infinite set of linear equations is solved using Spence's optimal weighting function method [IMA J. Appl. Math. 30, 107 (1983)]. The solution is compared to that with a shear-free piston surface; in the latter configuration the fluid more rapidly approaches the Poiseuille flow profile established away from the face of the piston.

Unsteady transonic flow calculations for two-dimensional canard-wing configurations with aeroelastic applications

NASA Technical Reports Server (NTRS)

Batina, J. T.

1985-01-01

Unsteady transonic flow calculations for aerodynamically interfering airfoil configurations are performed as a first step toward solving the three dimensional canard wing interaction problem. These calculations are performed by extending the XTRAN2L two dimensional unsteady transonic small disturbance code to include an additional airfoil. Unsteady transonic forces due to plunge and pitch motions of a two dimensional canard and wing are presented. Results for a variety of canard wing separation distances reveal the effects of aerodynamic interference on unsteady transonic airloads. Aeroelastic analyses employing these unsteady airloads demonstrate the effects of aerodynamic interference on aeroelastic stability and flutter. For the configurations studied, increases in wing flutter speed result with the inclusion of the aerodynamically interfering canard.

Some observations on a new numerical method for solving Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Kumar, A.

1981-01-01

An explicit-implicit technique for solving Navier-Stokes equations is described which, is much less complex than other implicit methods. It is used to solve a complex, two-dimensional, steady-state, supersonic-flow problem. The computational efficiency of the method and the quality of the solution obtained from it at high Courant-Friedrich-Lewy (CFL) numbers are discussed. Modifications are discussed and certain observations are made about the method which may be helpful in using it successfully.

Differential Relations between Facets of Complex Problem Solving and Students' Immigration Background

ERIC Educational Resources Information Center

Sonnleitner, Philipp; Brunner, Martin; Keller, Ulrich; Martin, Romain

2014-01-01

Whereas the assessment of complex problem solving (CPS) has received increasing attention in the context of international large-scale assessments, its fairness in regard to students' cultural background has gone largely unexplored. On the basis of a student sample of 9th-graders (N = 299), including a representative number of immigrant students (N…

Numerical study of a scramjet engine flow field

NASA Technical Reports Server (NTRS)

Drummond, J. P.; Weidner, E. H.

1981-01-01

A computer program has been developed to analyze the turbulent reacting flow field in a two-dimensional scramjet engine configuration. The program numerically solves the full two-dimensional Navier-Stokes and species equations in the engine inlet and combustor, allowing consideration of flow separation and possible inlet-combustor interactions. The current work represents an intermediate step towards development of a three-dimensional program to analyze actual scramjet engine flow fields. Results from the current program are presented that predict the flow field for two inlet-combustor configurations, and comparisons of the program with experiment are given to allow assessment of the modeling that is employed.

On scattering from the one-dimensional multiple Dirac delta potentials

NASA Astrophysics Data System (ADS)

Erman, Fatih; Gadella, Manuel; Uncu, Haydar

2018-05-01

In this paper, we propose a pedagogical presentation of the Lippmann–Schwinger equation as a powerful tool, so as to obtain important scattering information. In particular, we consider a one-dimensional system with a Schrödinger-type free Hamiltonian decorated with a sequence of N attractive Dirac delta interactions. We first write the Lippmann–Schwinger equation for the system and then solve it explicitly in terms of an N × N matrix. Then, we discuss the reflection and the transmission coefficients for an arbitrary number of centres and study the threshold anomaly for the N = 2 and N = 4 cases. We also study further features like the quantum metastable states and resonances, including their corresponding Gamow functions and virtual or antibound states. The use of the Lippmann–Schwinger equation simplifies our analysis enormously and gives exact results for an arbitrary number of Dirac delta potentials.

Three-dimensional couette flow of dusty fluid with heat transfer in the presence of magnetic field

NASA Astrophysics Data System (ADS)

Gayathri, R.; Govindarajan, A.; Sasikala, R.

2018-04-01

This paper is focused on the mathematical modelling of three-dimensional couette flow and heat transfer of a dusty fluid between two infinite horizontal parallel porous flat plates in the presence of an induced magnetic field. The problem is formulated using a continuum two-phase model and the resulting equations are solved analytically. The lower plate is stationary while the upper plate is undergoing uniform motion in its plane. These plates are, respectively subjected to transverse exponential injection and its corresponding removal by constant suction. Due to this type of injection velocity, the flow becomes three dimensional. The closed-form expressions for velocity and temperature fields of both the fluid and dust phase are obtained by solving the governing partial differentiation equations using the perturbation method. A selective set of graphical results is presented and discussed to show interesting features of the problem. It is found that the velocity profiles of both fluid and dust particles decrease due to the increase of (magnetic parameter) Hartmann number.

New family of lanthanide-based inorganic-organic hybrid frameworks: Ln2(OH)4[O3S(CH2)nSO3]·2H2O (Ln = La, Ce, Pr, Nd, Sm; n = 3, 4) and their derivatives.

PubMed

Liang, Jianbo; Ma, Renzhi; Ebina, Yasuo; Geng, Fengxia; Sasaki, Takayoshi

2013-02-18

We report the synthesis and structure characterization of a new family of lanthanide-based inorganic-organic hybrid frameworks, Ln(2)(OH)(4)[O(3)S(CH(2))(n)SO(3)]·2H(2)O (Ln = La, Ce, Pr, Nd, Sm; n = 3, 4), and their oxide derivatives. Highly crystallized samples were synthesized by homogeneous precipitation of Ln(3+) ions from a solution containing α,ω-organodisulfonate salts promoted by slow hydrolysis of hexamethylenetetramine. The crystal structure solved from powder X-ray diffraction data revealed that this material comprises two-dimensional cationic lanthanide hydroxide {[Ln(OH)(2)(H(2)O)](+)}(∞) layers, which are cross-linked by α,ω-organodisulfonate ligands into a three-dimensional pillared framework. This hybrid framework can be regarded as a derivative of UCl(3)-type Ln(OH)(3) involving penetration of organic chains into two {LnO(9)} polyhedra. Substitutional modification of the lanthanide coordination promotes a 2D arrangement of the {LnO(9)} polyhedra. A new hybrid oxide, Ln(2)O(2)[O(3)S(CH(2))(n)SO(3)], which is supposed to consist of alternating {[Ln(2)O(2)](2+)}(∞) layers and α,ω-organodisulfonate ligands, can be derived from the hydroxide form upon dehydration/dehydroxylation. These hybrid frameworks provide new opportunities to engineer the interlayer chemistry of layered structures and achieve advanced functionalities coupled with the advantages of lanthanide elements.

Differential Effects of Methylphenidate on Problem Solving in Adults with ADHD

ERIC Educational Resources Information Center

Tucha, Lara; Tucha, Oliver; Sontag, Thomas A.; Stasik, Dorota; Laufkotter, Rainer; Lange, Klaus W.

2011-01-01

Objective: Two studies were performed to assess both divergent and convergent thinking in adults with ADHD. Method: The first study compared the problem-solving abilities of healthy participants (N = 144) and unmedicated adults with ADHD (N = 144). In the second study, problem-solving abilities of adults with diagnosed ADHD (N = 22) were examined…

Inhomogeneous field theory inside the arctic circle

NASA Astrophysics Data System (ADS)

Allegra, Nicolas; Dubail, Jérôme; Stéphan, Jean-Marie; Viti, Jacopo

2016-05-01

Motivated by quantum quenches in spin chains, a one-dimensional toy-model of fermionic particles evolving in imaginary-time from a domain-wall initial state is solved. The main interest of this toy-model is that it exhibits the arctic circle phenomenon, namely a spatial phase separation between a critically fluctuating region and a frozen region. Large-scale correlations inside the critical region are expressed in terms of correlators in a (euclidean) two-dimensional massless Dirac field theory. It is observed that this theory is inhomogenous: the metric is position-dependent, so it is in fact a Dirac theory in curved space. The technique used to solve the toy-model is then extended to deal with the transfer matrices of other models: dimers on the honeycomb and square lattice, and the six-vertex model at the free fermion point (Δ =0 ). In all cases, explicit expressions are given for the long-range correlations in the critical region, as well as for the underlying Dirac action. Although the setup developed here is heavily based on fermionic observables, the results can be translated into the language of height configurations and of the gaussian free field, via bosonization. Correlations close to the phase boundary and the generic appearance of Airy processes in all these models are also briefly revisited in the appendix.

Efficient parallel simulation of CO2 geologic sequestration insaline aquifers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Keni; Doughty, Christine; Wu, Yu-Shu

2007-01-01

An efficient parallel simulator for large-scale, long-termCO2 geologic sequestration in saline aquifers has been developed. Theparallel simulator is a three-dimensional, fully implicit model thatsolves large, sparse linear systems arising from discretization of thepartial differential equations for mass and energy balance in porous andfractured media. The simulator is based on the ECO2N module of the TOUGH2code and inherits all the process capabilities of the single-CPU TOUGH2code, including a comprehensive description of the thermodynamics andthermophysical properties of H2O-NaCl- CO2 mixtures, modeling singleand/or two-phase isothermal or non-isothermal flow processes, two-phasemixtures, fluid phases appearing or disappearing, as well as saltprecipitation or dissolution. The newmore » parallel simulator uses MPI forparallel implementation, the METIS software package for simulation domainpartitioning, and the iterative parallel linear solver package Aztec forsolving linear equations by multiple processors. In addition, theparallel simulator has been implemented with an efficient communicationscheme. Test examples show that a linear or super-linear speedup can beobtained on Linux clusters as well as on supercomputers. Because of thesignificant improvement in both simulation time and memory requirement,the new simulator provides a powerful tool for tackling larger scale andmore complex problems than can be solved by single-CPU codes. Ahigh-resolution simulation example is presented that models buoyantconvection, induced by a small increase in brine density caused bydissolution of CO2.« less

NMR scalar couplings across Watson–Crick base pair hydrogen bonds in DNA observed by transverse relaxation-optimized spectroscopy

PubMed Central

Pervushin, Konstantin; Ono, Akira; Fernández, César; Szyperski, Thomas; Kainosho, Masatsune; Wüthrich, Kurt

1998-01-01

This paper describes the NMR observation of 15N—15N and 1H—15N scalar couplings across the hydrogen bonds in Watson–Crick base pairs in a DNA duplex, hJNN and hJHN. These couplings represent new parameters of interest for both structural studies of DNA and theoretical investigations into the nature of the hydrogen bonds. Two dimensional [15N,1H]-transverse relaxation-optimized spectroscopy (TROSY) with a 15N-labeled 14-mer DNA duplex was used to measure hJNN, which is in the range 6–7 Hz, and the two-dimensional hJNN-correlation-[15N,1H]-TROSY experiment was used to correlate the chemical shifts of pairs of hydrogen bond-related 15N spins and to observe, for the first time, hJHN scalar couplings, with values in the range 2–3.6 Hz. TROSY-based studies of scalar couplings across hydrogen bonds should be applicable for large molecular sizes, including protein-bound nucleic acids. PMID:9826668

Ozone perturbations by enhanced levels of CFCs, N2O, and CH4 A two-dimensional diabatic circulation study including uncertainty estimates

NASA Technical Reports Server (NTRS)

Isaksen, I. S. A.; Stordal, F.

1986-01-01

Observations made over the last few years suggest that the tropospheric concentrations of N2O, CH4, and O3 are increasing. Increases in the concentration of chlorofluorocarbons (CFCs) have been observed for some time. The present study is concerned with combined scenarios of future releases of N2O, CH4, and CFCs, which can affect the height profiles of ozone, while changes in latitudinal gradients of ozone may also be expected. Ozone perturbation calculations performed in the two-dimensional transport-chemistry model described by Stordal et al. (1985) are also presented, and the effects of increased levels of CFCs, N2O, and CH4 are examined. It is found that CH4 may be the most important ozone-perturbing trace species in connection with future tropospheric climatic impacts. A substantial increase in the tropospheric abundancy of CH4 could lead to large future ozone enhancements throughout the troposphere and lower stratosphere at middle and low latitudes.

Efficient Implementation of an Optimal Interpolator for Large Spatial Data Sets

NASA Technical Reports Server (NTRS)

Memarsadeghi, Nargess; Mount, David M.

2007-01-01

Scattered data interpolation is a problem of interest in numerous areas such as electronic imaging, smooth surface modeling, and computational geometry. Our motivation arises from applications in geology and mining, which often involve large scattered data sets and a demand for high accuracy. The method of choice is ordinary kriging. This is because it is a best unbiased estimator. Unfortunately, this interpolant is computationally very expensive to compute exactly. For n scattered data points, computing the value of a single interpolant involves solving a dense linear system of size roughly n x n. This is infeasible for large n. In practice, kriging is solved approximately by local approaches that are based on considering only a relatively small'number of points that lie close to the query point. There are many problems with this local approach, however. The first is that determining the proper neighborhood size is tricky, and is usually solved by ad hoc methods such as selecting a fixed number of nearest neighbors or all the points lying within a fixed radius. Such fixed neighborhood sizes may not work well for all query points, depending on local density of the point distribution. Local methods also suffer from the problem that the resulting interpolant is not continuous. Meyer showed that while kriging produces smooth continues surfaces, it has zero order continuity along its borders. Thus, at interface boundaries where the neighborhood changes, the interpolant behaves discontinuously. Therefore, it is important to consider and solve the global system for each interpolant. However, solving such large dense systems for each query point is impractical. Recently a more principled approach to approximating kriging has been proposed based on a technique called covariance tapering. The problems arise from the fact that the covariance functions that are used in kriging have global support. Our implementations combine, utilize, and enhance a number of different approaches that have been introduced in literature for solving large linear systems for interpolation of scattered data points. For very large systems, exact methods such as Gaussian elimination are impractical since they require 0(n(exp 3)) time and 0(n(exp 2)) storage. As Billings et al. suggested, we use an iterative approach. In particular, we use the SYMMLQ method, for solving the large but sparse ordinary kriging systems that result from tapering. The main technical issue that need to be overcome in our algorithmic solution is that the points' covariance matrix for kriging should be symmetric positive definite. The goal of tapering is to obtain a sparse approximate representation of the covariance matrix while maintaining its positive definiteness. Furrer et al. used tapering to obtain a sparse linear system of the form Ax = b, where A is the tapered symmetric positive definite covariance matrix. Thus, Cholesky factorization could be used to solve their linear systems. They implemented an efficient sparse Cholesky decomposition method. They also showed if these tapers are used for a limited class of covariance models, the solution of the system converges to the solution of the original system. Matrix A in the ordinary kriging system, while symmetric, is not positive definite. Thus, their approach is not applicable to the ordinary kriging system. Therefore, we use tapering only to obtain a sparse linear system. Then, we use SYMMLQ to solve the ordinary kriging system. We show that solving large kriging systems becomes practical via tapering and iterative methods, and results in lower estimation errors compared to traditional local approaches, and significant memory savings compared to the original global system. We also developed a more efficient variant of the sparse SYMMLQ method for large ordinary kriging systems. This approach adaptively finds the correct local neighborhood for each query point in the interpolation process.

Stability analysis of Eulerian-Lagrangian methods for the one-dimensional shallow-water equations

USGS Publications Warehouse

Casulli, V.; Cheng, R.T.

1990-01-01

In this paper stability and error analyses are discussed for some finite difference methods when applied to the one-dimensional shallow-water equations. Two finite difference formulations, which are based on a combined Eulerian-Lagrangian approach, are discussed. In the first part of this paper the results of numerical analyses for an explicit Eulerian-Lagrangian method (ELM) have shown that the method is unconditionally stable. This method, which is a generalized fixed grid method of characteristics, covers the Courant-Isaacson-Rees method as a special case. Some artificial viscosity is introduced by this scheme. However, because the method is unconditionally stable, the artificial viscosity can be brought under control either by reducing the spatial increment or by increasing the size of time step. The second part of the paper discusses a class of semi-implicit finite difference methods for the one-dimensional shallow-water equations. This method, when the Eulerian-Lagrangian approach is used for the convective terms, is also unconditionally stable and highly accurate for small space increments or large time steps. The semi-implicit methods seem to be more computationally efficient than the explicit ELM; at each time step a single tridiagonal system of linear equations is solved. The combined explicit and implicit ELM is best used in formulating a solution strategy for solving a network of interconnected channels. The explicit ELM is used at channel junctions for each time step. The semi-implicit method is then applied to the interior points in each channel segment. Following this solution strategy, the channel network problem can be reduced to a set of independent one-dimensional open-channel flow problems. Numerical results support properties given by the stability and error analyses. ?? 1990.

Eight-dimensional methodology for innovative thinking about the case and ethics of the Mount Graham, Large Binocular Telescope project.

PubMed

Berne, Rosalyn W; Raviv, Daniel

2004-04-01

This paper introduces the Eight Dimensional Methodology for Innovative Thinking (the Eight Dimensional Methodology), for innovative problem solving, as a unified approach to case analysis that builds on comprehensive problem solving knowledge from industry, business, marketing, math, science, engineering, technology, arts, and daily life. It is designed to stimulate innovation by quickly generating unique "out of the box" unexpected and high quality solutions. It gives new insights and thinking strategies to solve everyday problems faced in the workplace, by helping decision makers to see otherwise obscure alternatives and solutions. Daniel Raviv, the engineer who developed the Eight Dimensional Methodology, and paper co-author, technology ethicist Rosalyn Berne, suggest that this tool can be especially useful in identifying solutions and alternatives for particular problems of engineering, and for the ethical challenges which arise with them. First, the Eight Dimensional Methodology helps to elucidate how what may appear to be a basic engineering problem also has ethical dimensions. In addition, it offers to the engineer a methodology for penetrating and seeing new dimensions of those problems. To demonstrate the effectiveness of the Eight Dimensional Methodology as an analytical tool for thinking about ethical challenges to engineering, the paper presents the case of the construction of the Large Binocular Telescope (LBT) on Mount Graham in Arizona. Analysis of the case offers to decision makers the use of the Eight Dimensional Methodology in considering alternative solutions for how they can proceed in their goals of exploring space. It then follows that same process through the second stage of exploring the ethics of each of those different solutions. The LBT project pools resources from an international partnership of universities and research institutes for the construction and maintenance of a highly sophisticated, powerful new telescope. It will soon mark the erection of the world's largest and most powerful optical telescope, designed to see fine detail otherwise visible only from space. It also represents a controversial engineering project that is being undertaken on land considered to be sacred by the local, native Apache people. As presented, the case features the University of Virginia, and its challenges in consideration of whether and how to join the LBT project consortium.

Wilson loops in supersymmetric gauge theories

NASA Astrophysics Data System (ADS)

Pestun, Vasily

This thesis is devoted to several exact computations in four-dimensional supersymmetric gauge field theories. In the first part of the thesis we prove conjecture due to Erickson-Semenoff-Zarembo and Drukker-Gross which relates supersymmetric circular Wilson loop operators in the N = 4 supersymmetric Yang-Mills theory with a Gaussian matrix model. We also compute the partition function and give a new matrix model formula for the expectation value of a supersymmetric circular Wilson loop operator for the pure N = 2 and the N* = 2 supersymmetric Yang-Mills theory on a four-sphere. Circular supersymmetric Wilson loops in four-dimensional N = 2 superconformal gauge theory are treated similarly. In the second part we consider supersymmetric Wilson loops of arbitrary shape restricted to a two-dimensional sphere in the four-dimensional N = 4 supersymmetric Yang-Mills theory. We show that expectation value for these Wilson loops can be exactly computed using a two-dimensional theory closely related to the topological two-dimensional Higgs-Yang-Mills theory, or two-dimensional Yang-Mills theory for the complexified gauge group.

SU(N ) fermions in a one-dimensional harmonic trap

NASA Astrophysics Data System (ADS)

Laird, E. K.; Shi, Z.-Y.; Parish, M. M.; Levinsen, J.

2017-09-01

We conduct a theoretical study of SU (N ) fermions confined by a one-dimensional harmonic potential. First, we introduce a numerical approach for solving the trapped interacting few-body problem, by which one may obtain accurate energy spectra across the full range of interaction strengths. In the strong-coupling limit, we map the SU (N ) Hamiltonian to a spin-chain model. We then show that an existing, extremely accurate ansatz—derived for a Heisenberg SU(2) spin chain—is extendable to these N -component systems. Lastly, we consider balanced SU (N ) Fermi gases that have an equal number of particles in each spin state for N =2 ,3 ,4 . In the weak- and strong-coupling regimes, we find that the ground-state energies rapidly converge to their expected values in the thermodynamic limit with increasing atom number. This suggests that the many-body energetics of N -component fermions may be accurately inferred from the corresponding few-body systems of N distinguishable particles.

In search of the 'Aha!' experience: Elucidating the emotionality of insight problem-solving.

PubMed

Shen, Wangbing; Yuan, Yuan; Liu, Chang; Luo, Jing

2016-05-01

Although the experience of insight has long been noted, the essence of the 'Aha!' experience, reflecting a sudden change in the brain that accompanies an insight solution, remains largely unknown. This work aimed to uncover the mystery of the 'Aha!' experience through three studies. In Study 1, participants were required to solve a set of verbal insight problems and then subjectively report their affective experience when solving the problem. The participants were found to have experienced many types of emotions, with happiness the most frequently reported one. Multidimensional scaling was employed in Study 2 to simplify the dimensions of these reported emotions. The results showed that these different types of emotions could be clearly placed in two-dimensional space and that components constituting the 'Aha!' experience mainly reflected positive emotion and approached cognition. To validate previous findings, in Study 3, participants were asked to select the most appropriate emotional item describing their feelings at the time the problem was solved. The results of this study replicated the multidimensional construct consisting of approached cognition and positive affect. These three studies provide the first direct evidence of the essence of the 'Aha!' The potential significance of the findings was discussed. © 2015 The British Psychological Society.

Novel bimetallic thiocyanate-bridged Cu(II)-Hg(II) compounds—synthesis, X-Ray studies and magnetic properties

NASA Astrophysics Data System (ADS)

Machura, B.; Świtlicka, A.; Zwoliński, P.; Mroziński, J.; Kalińska, B.; Kruszynski, R.

2013-01-01

Seven novel heterobimetallic Cu/Hg polymers based on thiocyanate bridges have been synthesised and characterised by means of IR, EPR, magnetic measurements and single crystal X-Ray. Three of them, [Cu(pzH)4Hg(SCN)4]n (1) [Cu(indH)4Hg(SCN)4]n (2) and [Cu(ampy)2Hg(SCN)4]n (3), have one-dimensional coordination structure. Two compounds [Cu(pzH)2Hg(SCN)4]n (4) and [Cu(abzimH)Hg(SCN)4]n (5) form two-dimensional nets, whereas the complexes [Cu(pyCN)2Hg(SCN)4]n (6) and [Cu(pyCH(OH)(OMe))2Hg(SCN)4]n (7) are three-dimensional coordination polymers. The chains of 1 are connected by the intermolecular N-H•••N hydrogen bonds to the three dimensional net. In 2 the N-H•••S hydrogen bonds link the polymeric chains to the two dimensional layer extending along crystallographic (0 0 1) plane. The polymeric chains of compound 3 are joined by the intermolecular N-H•••N and N-H•••S hydrogen bonds to the three dimensional net. The polymeric layers of 4 are connected by the intermolecular N-H•••N hydrogen bonds to the three dimensional net.

Complete Sets of Radiating and Nonradiating Parts of a Source and Their Fields with Applications in Inverse Scattering Limited-Angle Problems

PubMed Central

Louis, A. K.

2006-01-01

Many algorithms applied in inverse scattering problems use source-field systems instead of the direct computation of the unknown scatterer. It is well known that the resulting source problem does not have a unique solution, since certain parts of the source totally vanish outside of the reconstruction area. This paper provides for the two-dimensional case special sets of functions, which include all radiating and all nonradiating parts of the source. These sets are used to solve an acoustic inverse problem in two steps. The problem under discussion consists of determining an inhomogeneous obstacle supported in a part of a disc, from data, known for a subset of a two-dimensional circle. In a first step, the radiating parts are computed by solving a linear problem. The second step is nonlinear and consists of determining the nonradiating parts. PMID:23165060

Method of moving frames to solve time-dependent Maxwell's equations on anisotropic curved surfaces: Applications to invisible cloak and ELF propagation

NASA Astrophysics Data System (ADS)

Chun, Sehun

2017-07-01

Applying the method of moving frames to Maxwell's equations yields two important advancements for scientific computing. The first is the use of upwind flux for anisotropic materials in Maxwell's equations, especially in the context of discontinuous Galerkin (DG) methods. Upwind flux has been available only to isotropic material, because of the difficulty of satisfying the Rankine-Hugoniot conditions in anisotropic media. The second is to solve numerically Maxwell's equations on curved surfaces without the metric tensor and composite meshes. For numerical validation, spectral convergences are displayed for both two-dimensional anisotropic media and isotropic spheres. In the first application, invisible two-dimensional metamaterial cloaks are simulated with a relatively coarse mesh by both the lossless Drude model and the piecewisely-parametered layered model. In the second application, extremely low frequency propagation on various surfaces such as spheres, irregular surfaces, and non-convex surfaces is demonstrated.

A New Framework for Addressing Temporal Range Queries and Some Preliminary Results

DTIC Science & Technology

2003-01-29

dominance reporting problem, which canbe solved in O(log n + f(v)) time using the data structure of Makris and Tsakalidis [11],which we call the...SIGMODInternational Conference on Management of Data, pages 426{435, 1991.[11] C. Makris and A. K. Tsakalidis . Algorithms for three-dimensional dominance searchingin

Nature-Inspired Na2Ti3O7 Nanosheets-Formed Three-Dimensional Microflowers Architecture as a High-Performance Anode Material for Rechargeable Sodium-Ion Batteries.

PubMed

Anwer, Shoaib; Huang, Yongxin; Liu, Jia; Liu, Jiajia; Xu, Meng; Wang, Ziheng; Chen, Renjie; Zhang, Jiatao; Wu, Feng

2017-04-05

Low cycling stability and poor rate performance are two of the distinctive drawbacks of most electrode materials for sodium-ion batteries (SIBs). Here, inspired by natural flower structures, we take advantage of the three-dimensional (3D) hierarchical flower-like stable microstructures formed by two-dimensional (2D) nanosheets to solve these problems. By precise control of the hydrothermal synthesis conditions, a novel three-dimensional (3D) flower-like architecture consisting of 2D Na 2 Ti 3 O 7 nanosheets (Na-TNSs) has been successfully synthesized. The arbitrarily arranged but closely interlinked thin nanosheets in carnation-shaped 3D Na 2 Ti 3 O 7 microflowers (Na-TMFs) originate a good network of electrically conductive paths in an electrode. Thus, Na-TMFs can get electrons from all directions and be fully utilized for sodium-ion insertion and extraction reactions, which can improve sodium storage properties with enhanced rate capability and super cycling performance. Furthermore, the large specific surface area provides a high capacity, which can be ascribed to the pseudo-capacitance effect. The wettability of the electrolyte was also improved by the porous and crumpled structure. The remarkably improved cycling performance and rate capability of Na-TMFs make a captivating case for its development as an advanced anode material for SIBs.

On the Mathematical Modeling of Single and Multiple Scattering of Ultrasonic Guided Waves by Small Scatterers: A Structural Health Monitoring Measurement Model

NASA Astrophysics Data System (ADS)

Strom, Brandon William

In an effort to assist in the paradigm shift from schedule based maintenance to conditioned based maintenance, we derive measurement models to be used within structural health monitoring algorithms. Our models are physics based, and use scattered Lamb waves to detect and quantify pitting corrosion. After covering the basics of Lamb waves and the reciprocity theorem, we develop a technique for the scattered wave solution. The first application is two-dimensional, and is employed in two different ways. The first approach integrates a traction distribution and replaces it by an equivalent force. The second approach is higher order and uses the actual traction distribution. We find that the equivalent force version of the solution technique holds well for small pits at low frequencies. The second application is three-dimensional. The equivalent force caused by the scattered wave of an arbitrary equivalent force is calculated. We obtain functions for the scattered wave displacements as a function of equivalent forces, equivalent forces as a function of incident wave, and scattered wave amplitudes as a function of incident amplitude. The third application uses self-consistency to derive governing equations for the scattered waves due to multiple corrosion pits. We decouple the implicit set of equations and solve explicitly by using a recursive series solution. Alternatively, we solve via an undetermined coefficient method which results in an interaction operator and solution via matrix inversion. The general solution is given for N pits including mode conversion. We show that the two approaches are equivalent, and give a solution for three pits. Various approximations are advanced to simplify the problem while retaining the leading order physics. As a final application, we use the multiple scattering model to investigate resonance of Lamb waves. We begin with a one-dimensional problem and progress to a three-dimensional problem. A directed graph enables interpretation of the interaction operator, and we show that a series solution converges due to loss of energy in the system. We see that there are four causes of resonance and plot the modulation depth as a function of spacing between the pits.

Rarefaction-driven Rayleigh–Taylor instability. Part 1. Diffuse-interface linear stability measurements and theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morgan, R. V.; Likhachev, O. A.; Jacobs, J. W.

Theory and experiments are reported that explore the behaviour of the Rayleigh–Taylor instability initiated with a diffuse interface. Experiments are performed in which an interface between two gases of differing density is made unstable by acceleration generated by a rarefaction wave. Well-controlled, diffuse, two-dimensional and three-dimensional, single-mode perturbations are generated by oscillating the gases either side to side, or vertically for the three-dimensional perturbations. The puncturing of a diaphragm separating a vacuum tank beneath the test section generates a rarefaction wave that travels upwards and accelerates the interface downwards. This rarefaction wave generates a large, but non-constant, acceleration of the order ofmore » $$1000g_{0}$$, where$$g_{0}$$is the acceleration due to gravity. Initial interface thicknesses are measured using a Rayleigh scattering diagnostic and the instability is visualized using planar laser-induced Mie scattering. Growth rates agree well with theoretical values, and with the inviscid, dynamic diffusion model of Duffet al. (Phys. Fluids, vol. 5, 1962, pp. 417–425) when diffusion thickness is accounted for, and the acceleration is weighted using inviscid Rayleigh–Taylor theory. The linear stability formulation of Chandrasekhar (Proc. Camb. Phil. Soc., vol. 51, 1955, pp. 162–178) is solved numerically with an error function diffusion profile using the Riccati method. This technique exhibits good agreement with the dynamic diffusion model of Duffet al. for small wavenumbers, but produces larger growth rates for large-wavenumber perturbations. Asymptotic analysis shows a$$1/k^{2}$$decay in growth rates as$$k\\rightarrow \\infty$$for large-wavenumber perturbations.« less

Rarefaction-driven Rayleigh–Taylor instability. Part 1. Diffuse-interface linear stability measurements and theory

DOE PAGES

Morgan, R. V.; Likhachev, O. A.; Jacobs, J. W.

2016-02-15

Theory and experiments are reported that explore the behaviour of the Rayleigh–Taylor instability initiated with a diffuse interface. Experiments are performed in which an interface between two gases of differing density is made unstable by acceleration generated by a rarefaction wave. Well-controlled, diffuse, two-dimensional and three-dimensional, single-mode perturbations are generated by oscillating the gases either side to side, or vertically for the three-dimensional perturbations. The puncturing of a diaphragm separating a vacuum tank beneath the test section generates a rarefaction wave that travels upwards and accelerates the interface downwards. This rarefaction wave generates a large, but non-constant, acceleration of the order ofmore » $$1000g_{0}$$, where$$g_{0}$$is the acceleration due to gravity. Initial interface thicknesses are measured using a Rayleigh scattering diagnostic and the instability is visualized using planar laser-induced Mie scattering. Growth rates agree well with theoretical values, and with the inviscid, dynamic diffusion model of Duffet al. (Phys. Fluids, vol. 5, 1962, pp. 417–425) when diffusion thickness is accounted for, and the acceleration is weighted using inviscid Rayleigh–Taylor theory. The linear stability formulation of Chandrasekhar (Proc. Camb. Phil. Soc., vol. 51, 1955, pp. 162–178) is solved numerically with an error function diffusion profile using the Riccati method. This technique exhibits good agreement with the dynamic diffusion model of Duffet al. for small wavenumbers, but produces larger growth rates for large-wavenumber perturbations. Asymptotic analysis shows a$$1/k^{2}$$decay in growth rates as$$k\\rightarrow \\infty$$for large-wavenumber perturbations.« less

Gray and multigroup radiation transport models for two-dimensional binary stochastic media using effective opacities

DOE PAGES

Olson, Gordon L.

2015-09-24

One-dimensional models for the transport of radiation through binary stochastic media do not work in multi-dimensions. In addition, authors have attempted to modify or extend the 1D models to work in multidimensions without success. Analytic one-dimensional models are successful in 1D only when assuming greatly simplified physics. State of the art theories for stochastic media radiation transport do not address multi-dimensions and temperature-dependent physics coefficients. Here, the concept of effective opacities and effective heat capacities is found to well represent the ensemble averaged transport solutions in cases with gray or multigroup temperature-dependent opacities and constant or temperature-dependent heat capacities. Inmore » every case analyzed here, effective physics coefficients fit the transport solutions over a useful range of parameter space. The transport equation is solved with the spherical harmonics method with angle orders of n=1 and 5. Although the details depend on what order of solution is used, the general results are similar, independent of angular order.« less

A 2-D/1-D transverse leakage approximation based on azimuthal, Fourier moments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stimpson, Shane G.; Collins, Benjamin S.; Downar, Thomas

Here, the MPACT code being developed collaboratively by Oak Ridge National Laboratory and the University of Michigan is the primary deterministic neutron transport solver within the Virtual Environment for Reactor Applications Core Simulator (VERA-CS). In MPACT, the two-dimensional (2-D)/one-dimensional (1-D) scheme is the most commonly used method for solving neutron transport-based three-dimensional nuclear reactor core physics problems. Several axial solvers in this scheme assume isotropic transverse leakages, but work with the axial S N solver has extended these leakages to include both polar and azimuthal dependence. However, explicit angular representation can be burdensome for run-time and memory requirements. The workmore » here alleviates this burden by assuming that the azimuthal dependence of the angular flux and transverse leakages are represented by a Fourier series expansion. At the heart of this is a new axial SN solver that takes in a Fourier expanded radial transverse leakage and generates the angular fluxes used to construct the axial transverse leakages used in the 2-D-Method of Characteristics calculations.« less

A 2-D/1-D transverse leakage approximation based on azimuthal, Fourier moments

DOE PAGES

Stimpson, Shane G.; Collins, Benjamin S.; Downar, Thomas

2017-01-12

Here, the MPACT code being developed collaboratively by Oak Ridge National Laboratory and the University of Michigan is the primary deterministic neutron transport solver within the Virtual Environment for Reactor Applications Core Simulator (VERA-CS). In MPACT, the two-dimensional (2-D)/one-dimensional (1-D) scheme is the most commonly used method for solving neutron transport-based three-dimensional nuclear reactor core physics problems. Several axial solvers in this scheme assume isotropic transverse leakages, but work with the axial S N solver has extended these leakages to include both polar and azimuthal dependence. However, explicit angular representation can be burdensome for run-time and memory requirements. The workmore » here alleviates this burden by assuming that the azimuthal dependence of the angular flux and transverse leakages are represented by a Fourier series expansion. At the heart of this is a new axial SN solver that takes in a Fourier expanded radial transverse leakage and generates the angular fluxes used to construct the axial transverse leakages used in the 2-D-Method of Characteristics calculations.« less

Gray and multigroup radiation transport models for two-dimensional binary stochastic media using effective opacities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Olson, Gordon L.

One-dimensional models for the transport of radiation through binary stochastic media do not work in multi-dimensions. In addition, authors have attempted to modify or extend the 1D models to work in multidimensions without success. Analytic one-dimensional models are successful in 1D only when assuming greatly simplified physics. State of the art theories for stochastic media radiation transport do not address multi-dimensions and temperature-dependent physics coefficients. Here, the concept of effective opacities and effective heat capacities is found to well represent the ensemble averaged transport solutions in cases with gray or multigroup temperature-dependent opacities and constant or temperature-dependent heat capacities. Inmore » every case analyzed here, effective physics coefficients fit the transport solutions over a useful range of parameter space. The transport equation is solved with the spherical harmonics method with angle orders of n=1 and 5. Although the details depend on what order of solution is used, the general results are similar, independent of angular order.« less

Stochastic solution to quantum dynamics

NASA Technical Reports Server (NTRS)

John, Sarah; Wilson, John W.

1994-01-01

The quantum Liouville equation in the Wigner representation is solved numerically by using Monte Carlo methods. For incremental time steps, the propagation is implemented as a classical evolution in phase space modified by a quantum correction. The correction, which is a momentum jump function, is simulated in the quasi-classical approximation via a stochastic process. The technique, which is developed and validated in two- and three- dimensional momentum space, extends an earlier one-dimensional work. Also, by developing a new algorithm, the application to bound state motion in an anharmonic quartic potential shows better agreement with exact solutions in two-dimensional phase space.

Computational procedure for finite difference solution of one-dimensional heat conduction problems reduces computer time

NASA Technical Reports Server (NTRS)

Iida, H. T.

1966-01-01

Computational procedure reduces the numerical effort whenever the method of finite differences is used to solve ablation problems for which the surface recession is large relative to the initial slab thickness. The number of numerical operations required for a given maximum space mesh size is reduced.

Efficient convolutional sparse coding

DOEpatents

Wohlberg, Brendt

2017-06-20

Computationally efficient algorithms may be applied for fast dictionary learning solving the convolutional sparse coding problem in the Fourier domain. More specifically, efficient convolutional sparse coding may be derived within an alternating direction method of multipliers (ADMM) framework that utilizes fast Fourier transforms (FFT) to solve the main linear system in the frequency domain. Such algorithms may enable a significant reduction in computational cost over conventional approaches by implementing a linear solver for the most critical and computationally expensive component of the conventional iterative algorithm. The theoretical computational cost of the algorithm may be reduced from O(M.sup.3N) to O(MN log N), where N is the dimensionality of the data and M is the number of elements in the dictionary. This significant improvement in efficiency may greatly increase the range of problems that can practically be addressed via convolutional sparse representations.

An algebraic approach to the analytic bootstrap

DOE PAGES

Alday, Luis F.; Zhiboedov, Alexander

2017-04-27

We develop an algebraic approach to the analytic bootstrap in CFTs. By acting with the Casimir operator on the crossing equation we map the problem of doing large spin sums to any desired order to the problem of solving a set of recursion relations. We compute corrections to the anomalous dimension of large spin operators due to the exchange of a primary and its descendants in the crossed channel and show that this leads to a Borel-summable expansion. Here, we analyse higher order corrections to the microscopic CFT data in the direct channel and its matching to infinite towers ofmore » operators in the crossed channel. We apply this method to the critical O(N ) model. At large N we reproduce the first few terms in the large spin expansion of the known two-loop anomalous dimensions of higher spin currents in the traceless symmetric representation of O(N ) and make further predictions. At small N we present the results for the truncated large spin expansion series of anomalous dimensions of higher spin currents.« less

Two-dimensional wavefront reconstruction based on double-shearing and least squares fitting

NASA Astrophysics Data System (ADS)

Liang, Peiying; Ding, Jianping; Zhu, Yangqing; Dong, Qian; Huang, Yuhua; Zhu, Zhen

2017-06-01

The two-dimensional wavefront reconstruction method based on double-shearing and least squares fitting is proposed in this paper. Four one-dimensional phase estimates of the measured wavefront, which correspond to the two shears and the two orthogonal directions, could be calculated from the differential phase, which solves the problem of the missing spectrum, and then by using the least squares method the two-dimensional wavefront reconstruction could be done. The numerical simulations of the proposed algorithm are carried out to verify the feasibility of this method. The influence of noise generated from different shear amount and different intensity on the accuracy of the reconstruction is studied and compared with the results from the algorithm based on single-shearing and least squares fitting. Finally, a two-grating lateral shearing interference experiment is carried out to verify the wavefront reconstruction algorithm based on doubleshearing and least squares fitting.

A SEMI-LAGRANGIAN TWO-LEVEL PRECONDITIONED NEWTON-KRYLOV SOLVER FOR CONSTRAINED DIFFEOMORPHIC IMAGE REGISTRATION.

PubMed

Mang, Andreas; Biros, George

2017-01-01

We propose an efficient numerical algorithm for the solution of diffeomorphic image registration problems. We use a variational formulation constrained by a partial differential equation (PDE), where the constraints are a scalar transport equation. We use a pseudospectral discretization in space and second-order accurate semi-Lagrangian time stepping scheme for the transport equations. We solve for a stationary velocity field using a preconditioned, globalized, matrix-free Newton-Krylov scheme. We propose and test a two-level Hessian preconditioner. We consider two strategies for inverting the preconditioner on the coarse grid: a nested preconditioned conjugate gradient method (exact solve) and a nested Chebyshev iterative method (inexact solve) with a fixed number of iterations. We test the performance of our solver in different synthetic and real-world two-dimensional application scenarios. We study grid convergence and computational efficiency of our new scheme. We compare the performance of our solver against our initial implementation that uses the same spatial discretization but a standard, explicit, second-order Runge-Kutta scheme for the numerical time integration of the transport equations and a single-level preconditioner. Our improved scheme delivers significant speedups over our original implementation. As a highlight, we observe a 20 × speedup for a two dimensional, real world multi-subject medical image registration problem.

Numerical simulation of the control of the three-dimensional transition process in boundary layers

NASA Technical Reports Server (NTRS)

Kral, L. D.; Fasel, H. F.

1990-01-01

Surface heating techniques to control the three-dimensional laminar-turbulent transition process are numerically investigated for a water boundary layer. The Navier-Stokes and energy equations are solved using a fully implicit finite difference/spectral method. The spatially evolving boundary layer is simulated. Results of both passive and active methods of control are shown for small amplitude two-dimensional and three-dimensional disturbance waves. Control is also applied to the early stages of the secondary instability process using passive or active control techniques.

Construction of high-dimensional universal quantum logic gates using a Λ system coupled with a whispering-gallery-mode microresonator.

PubMed

He, Ling Yan; Wang, Tie-Jun; Wang, Chuan

2016-07-11

High-dimensional quantum system provides a higher capacity of quantum channel, which exhibits potential applications in quantum information processing. However, high-dimensional universal quantum logic gates is difficult to achieve directly with only high-dimensional interaction between two quantum systems and requires a large number of two-dimensional gates to build even a small high-dimensional quantum circuits. In this paper, we propose a scheme to implement a general controlled-flip (CF) gate where the high-dimensional single photon serve as the target qudit and stationary qubits work as the control logic qudit, by employing a three-level Λ-type system coupled with a whispering-gallery-mode microresonator. In our scheme, the required number of interaction times between the photon and solid state system reduce greatly compared with the traditional method which decomposes the high-dimensional Hilbert space into 2-dimensional quantum space, and it is on a shorter temporal scale for the experimental realization. Moreover, we discuss the performance and feasibility of our hybrid CF gate, concluding that it can be easily extended to a 2n-dimensional case and it is feasible with current technology.

Calculation of unsteady aerodynamics for four AGARD standard aeroelastic configurations

NASA Technical Reports Server (NTRS)

Bland, S. R.; Seidel, D. A.

1984-01-01

Calculated unsteady aerodynamic characteristics for four Advisory Group for Aeronautical Research Development (AGARD) standard aeroelastic two-dimensional airfoils and for one of the AGARD three-dimensional wings are reported. Calculations were made using the finite-difference codes XTRAN2L (two-dimensional flow) and XTRAN3S (three-dimensional flow) which solve the transonic small disturbance potential equations. Results are given for the 36 AGARD cases for the NACA 64A006, NACA 64A010, and NLR 7301 airfoils with experimental comparisons for most of these cases. Additionally, six of the MBB-A3 airfoil cases are included. Finally, results are given for three of the cases for the rectangular wing.

A solution for two-dimensional Fredholm integral equations of the second kind with periodic, semiperiodic, or nonperiodic kernels. [integral representation of the stationary Navier-Stokes problem

NASA Technical Reports Server (NTRS)

Gabrielsen, R. E.; Uenal, A.

1981-01-01

A numerical scheme for solving two dimensional Fredholm integral equations of the second kind is developed. The proof of the convergence of the numerical scheme is shown for three cases: the case of periodic kernels, the case of semiperiodic kernels, and the case of nonperiodic kernels. Applications to the incompressible, stationary Navier-Stokes problem are of primary interest.

Solution algorithms for the two-dimensional Euler equations on unstructured meshes

NASA Technical Reports Server (NTRS)

Whitaker, D. L.; Slack, David C.; Walters, Robert W.

1990-01-01

The objective of the study was to analyze implicit techniques employed in structured grid algorithms for solving two-dimensional Euler equations and extend them to unstructured solvers in order to accelerate convergence rates. A comparison is made between nine different algorithms for both first-order and second-order accurate solutions. Higher-order accuracy is achieved by using multidimensional monotone linear reconstruction procedures. The discussion is illustrated by results for flow over a transonic circular arc.

Developing cross entropy genetic algorithm for solving Two-Dimensional Loading Heterogeneous Fleet Vehicle Routing Problem (2L-HFVRP)

NASA Astrophysics Data System (ADS)

Paramestha, D. L.; Santosa, B.

2018-04-01

Two-dimensional Loading Heterogeneous Fleet Vehicle Routing Problem (2L-HFVRP) is a combination of Heterogeneous Fleet VRP and a packing problem well-known as Two-Dimensional Bin Packing Problem (BPP). 2L-HFVRP is a Heterogeneous Fleet VRP in which these costumer demands are formed by a set of two-dimensional rectangular weighted item. These demands must be served by a heterogeneous fleet of vehicles with a fix and variable cost from the depot. The objective function 2L-HFVRP is to minimize the total transportation cost. All formed routes must be consistent with the capacity and loading process of the vehicle. Sequential and unrestricted scenarios are considered in this paper. We propose a metaheuristic which is a combination of the Genetic Algorithm (GA) and the Cross Entropy (CE) named Cross Entropy Genetic Algorithm (CEGA) to solve the 2L-HFVRP. The mutation concept on GA is used to speed up the algorithm CE to find the optimal solution. The mutation mechanism was based on local improvement (2-opt, 1-1 Exchange, and 1-0 Exchange). The probability transition matrix mechanism on CE is used to avoid getting stuck in the local optimum. The effectiveness of CEGA was tested on benchmark instance based 2L-HFVRP. The result of experiments shows a competitive result compared with the other algorithm.

Learning SVM in Kreĭn Spaces.

PubMed

Loosli, Gaelle; Canu, Stephane; Ong, Cheng Soon

2016-06-01

This paper presents a theoretical foundation for an SVM solver in Kreĭn spaces. Up to now, all methods are based either on the matrix correction, or on non-convex minimization, or on feature-space embedding. Here we justify and evaluate a solution that uses the original (indefinite) similarity measure, in the original Kreĭn space. This solution is the result of a stabilization procedure. We establish the correspondence between the stabilization problem (which has to be solved) and a classical SVM based on minimization (which is easy to solve). We provide simple equations to go from one to the other (in both directions). This link between stabilization and minimization problems is the key to obtain a solution in the original Kreĭn space. Using KSVM, one can solve SVM with usually troublesome kernels (large negative eigenvalues or large numbers of negative eigenvalues). We show experiments showing that our algorithm KSVM outperforms all previously proposed approaches to deal with indefinite matrices in SVM-like kernel methods.

Electronic structure of boron based single and multi-layer two dimensional materials

NASA Astrophysics Data System (ADS)

Miyazato, Itsuki; Takahashi, Keisuke

2017-09-01

Two dimensional nanosheets based on boron and Group VA elements are designed and characterized using first principles calculations. B-N, B-P, B-As, B-Sb, and B-Bi are found to possess honeycomb structures where formation energies indicate exothermic reactions. Contrary to B-N, the cases of B-P, B-As, B-Sb, and B-Bi nanosheets are calculated to possess narrow band gaps. In addition, calculations reveal that the electronegativity difference between B and Group VA elements in the designed materials is a good indicator to predict the charge transfer and band gap of the two dimensional materials. Hydrogen adsorption over defect-free B-Sb and B-Bi results in exothermic reactions, while defect-free B-N, B-P, and B-As result in endothermic reactions. The layerability of the designed two dimensional materials is also investigated where the electronic structure of two-layered two dimensional materials is strongly coupled with how the two dimensional materials are layered. Thus, one can consider that the properties of two dimensional materials can be controlled by the composition of two dimensional materials and the structure of layers.

Large N Limits in Tensor Models: Towards More Universality Classes of Colored Triangulations in Dimension d≥2

NASA Astrophysics Data System (ADS)

Bonzom, Valentin

2016-07-01

We review an approach which aims at studying discrete (pseudo-)manifolds in dimension d≥ 2 and called random tensor models. More specifically, we insist on generalizing the two-dimensional notion of p-angulations to higher dimensions. To do so, we consider families of triangulations built out of simplices with colored faces. Those simplices can be glued to form new building blocks, called bubbles which are pseudo-manifolds with boundaries. Bubbles can in turn be glued together to form triangulations. The main challenge is to classify the triangulations built from a given set of bubbles with respect to their numbers of bubbles and simplices of codimension two. While the colored triangulations which maximize the number of simplices of codimension two at fixed number of simplices are series-parallel objects called melonic triangulations, this is not always true anymore when restricting attention to colored triangulations built from specific bubbles. This opens up the possibility of new universality classes of colored triangulations. We present three existing strategies to find those universality classes. The first two strategies consist in building new bubbles from old ones for which the problem can be solved. The third strategy is a bijection between those colored triangulations and stuffed, edge-colored maps, which are some sort of hypermaps whose hyperedges are replaced with edge-colored maps. We then show that the present approach can lead to enumeration results and identification of universality classes, by working out the example of quartic tensor models. They feature a tree-like phase, a planar phase similar to two-dimensional quantum gravity and a phase transition between them which is interpreted as a proliferation of baby universes. While this work is written in the context of random tensors, it is almost exclusively of combinatorial nature and we hope it is accessible to interested readers who are not familiar with random matrices, tensors and quantum field theory.

Automatic Selection of Order Parameters in the Analysis of Large Scale Molecular Dynamics Simulations.

PubMed

Sultan, Mohammad M; Kiss, Gert; Shukla, Diwakar; Pande, Vijay S

2014-12-09

Given the large number of crystal structures and NMR ensembles that have been solved to date, classical molecular dynamics (MD) simulations have become powerful tools in the atomistic study of the kinetics and thermodynamics of biomolecular systems on ever increasing time scales. By virtue of the high-dimensional conformational state space that is explored, the interpretation of large-scale simulations faces difficulties not unlike those in the big data community. We address this challenge by introducing a method called clustering based feature selection (CB-FS) that employs a posterior analysis approach. It combines supervised machine learning (SML) and feature selection with Markov state models to automatically identify the relevant degrees of freedom that separate conformational states. We highlight the utility of the method in the evaluation of large-scale simulations and show that it can be used for the rapid and automated identification of relevant order parameters involved in the functional transitions of two exemplary cell-signaling proteins central to human disease states.

Efficient Fourier-based algorithms for time-periodic unsteady problems

NASA Astrophysics Data System (ADS)

Gopinath, Arathi Kamath

2007-12-01

This dissertation work proposes two algorithms for the simulation of time-periodic unsteady problems via the solution of Unsteady Reynolds-Averaged Navier-Stokes (URANS) equations. These algorithms use a Fourier representation in time and hence solve for the periodic state directly without resolving transients (which consume most of the resources in a time-accurate scheme). In contrast to conventional Fourier-based techniques which solve the governing equations in frequency space, the new algorithms perform all the calculations in the time domain, and hence require minimal modifications to an existing solver. The complete space-time solution is obtained by iterating in a fifth pseudo-time dimension. Various time-periodic problems such as helicopter rotors, wind turbines, turbomachinery and flapping-wings can be simulated using the Time Spectral method. The algorithm is first validated using pitching airfoil/wing test cases. The method is further extended to turbomachinery problems, and computational results verified by comparison with a time-accurate calculation. The technique can be very memory intensive for large problems, since the solution is computed (and hence stored) simultaneously at all time levels. Often, the blade counts of a turbomachine are rescaled such that a periodic fraction of the annulus can be solved. This approximation enables the solution to be obtained at a fraction of the cost of a full-scale time-accurate solution. For a viscous computation over a three-dimensional single-stage rescaled compressor, an order of magnitude savings is achieved. The second algorithm, the reduced-order Harmonic Balance method is applicable only to turbomachinery flows, and offers even larger computational savings than the Time Spectral method. It simulates the true geometry of the turbomachine using only one blade passage per blade row as the computational domain. In each blade row of the turbomachine, only the dominant frequencies are resolved, namely, combinations of neighbor's blade passing. An appropriate set of frequencies can be chosen by the analyst/designer based on a trade-off between accuracy and computational resources available. A cost comparison with a time-accurate computation for an Euler calculation on a two-dimensional multi-stage compressor obtained an order of magnitude savings, and a RANS calculation on a three-dimensional single-stage compressor achieved two orders of magnitude savings, with comparable accuracy.

Proteus two-dimensional Navier-Stokes computer code, version 2.0. Volume 3: Programmer's reference

NASA Technical Reports Server (NTRS)

Towne, Charles E.; Schwab, John R.; Bui, Trong T.

1993-01-01

A computer code called Proteus 2D was developed to solve the two-dimensional planar or axisymmetric, Reynolds-averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The objective in this effort was to develop a code for aerospace propulsion applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The governing equations are solved in generalized nonorthogonal body-fitted coordinates, by marching in time using a fully-coupled ADI solution procedure. The boundary conditions are treated implicitly. All terms, including the diffusion terms, are linearized using second-order Taylor series expansions. Turbulence is modeled using either an algebraic or two-equation eddy viscosity model. The thin-layer or Euler equations may also be solved. The energy equation may be eliminated by the assumption of constant total enthalpy. Explicit and implicit artificial viscosity may be used. Several time step options are available for convergence acceleration. The documentation is divided into three volumes. The Programmer's Reference contains detailed information useful when modifying the program. The program structure, the Fortran variables stored in common blocks, and the details of each subprogram are described.

Nonlinear bending models for beams and plates

PubMed Central

Antipov, Y. A.

2014-01-01

A new nonlinear model for large deflections of a beam is proposed. It comprises the Euler–Bernoulli boundary value problem for the deflection and a nonlinear integral condition. When bending does not alter the beam length, this condition guarantees that the deflected beam has the original length and fixes the horizontal displacement of the free end. The numerical results are in good agreement with the ones provided by the elastica model. Dynamic and two-dimensional generalizations of this nonlinear one-dimensional static model are also discussed. The model problem for an inextensible rectangular Kirchhoff plate, when one side is clamped, the opposite one is subjected to a shear force, and the others are free of moments and forces, is reduced to a singular integral equation with two fixed singularities. The singularities of the unknown function are examined, and a series-form solution is derived by the collocation method in terms of the associated Jacobi polynomials. The procedure requires solving an infinite system of linear algebraic equations for the expansion coefficients subject to the inextensibility condition. PMID:25294960

Direct and inverse energy cascades in a forced rotating turbulence experiment

NASA Astrophysics Data System (ADS)

Campagne, Antoine; Gallet, Basile; Moisy, Frédéric; Cortet, Pierre-Philippe

2014-12-01

We present experimental evidence for a double cascade of kinetic energy in a statistically stationary rotating turbulence experiment. Turbulence is generated by a set of vertical flaps, which continuously injects velocity fluctuations towards the center of a rotating water tank. The energy transfers are evaluated from two-point third-order three-component velocity structure functions, which we measure using stereoscopic particle image velocimetry in the rotating frame. Without global rotation, the energy is transferred from large to small scales, as in classical three-dimensional turbulence. For nonzero rotation rates, the horizontal kinetic energy presents a double cascade: a direct cascade at small horizontal scales and an inverse cascade at large horizontal scales. By contrast, the vertical kinetic energy is always transferred from large to small horizontal scales, a behavior reminiscent of the dynamics of a passive scalar in two-dimensional turbulence. At the largest rotation rate, the flow is nearly two-dimensional, and a pure inverse energy cascade is found for the horizontal energy. To describe the scale-by-scale energy budget, we consider a generalization of the Kármán-Howarth-Monin equation to inhomogeneous turbulent flows, in which the energy input is explicitly described as the advection of turbulent energy from the flaps through the surface of the control volume where the measurements are performed.

Parity and cobordism of free knots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Manturov, Vassily O

2012-02-28

A simple invariant is constructed which obstructs a free knot to be truncated. In particular, this invariant provides an obstruction to the truncatedness of curves immersed in two-dimensional surfaces. A curve on an oriented two-dimensional surface S{sub g} is referred to as truncated (null-cobordant) if there exists a three-dimensional manifold M with boundary S{sub g} and a smooth proper map of a two-disc to M such that the image of the boundary of the disc coincides with the curve. The problem of truncatedness for free knots is solved in this paper using the notion of parity recently introduced by themore » author. Bibliography: 12 titles.« less

An O(N) and parallel approach to integral problems by a kernel-independent fast multipole method: Application to polarization and magnetization of interacting particles

NASA Astrophysics Data System (ADS)

Jiang, Xikai; Li, Jiyuan; Zhao, Xujun; Qin, Jian; Karpeev, Dmitry; Hernandez-Ortiz, Juan; de Pablo, Juan J.; Heinonen, Olle

2016-08-01

Large classes of materials systems in physics and engineering are governed by magnetic and electrostatic interactions. Continuum or mesoscale descriptions of such systems can be cast in terms of integral equations, whose direct computational evaluation requires O(N2) operations, where N is the number of unknowns. Such a scaling, which arises from the many-body nature of the relevant Green's function, has precluded wide-spread adoption of integral methods for solution of large-scale scientific and engineering problems. In this work, a parallel computational approach is presented that relies on using scalable open source libraries and utilizes a kernel-independent Fast Multipole Method (FMM) to evaluate the integrals in O(N) operations, with O(N) memory cost, thereby substantially improving the scalability and efficiency of computational integral methods. We demonstrate the accuracy, efficiency, and scalability of our approach in the context of two examples. In the first, we solve a boundary value problem for a ferroelectric/ferromagnetic volume in free space. In the second, we solve an electrostatic problem involving polarizable dielectric bodies in an unbounded dielectric medium. The results from these test cases show that our proposed parallel approach, which is built on a kernel-independent FMM, can enable highly efficient and accurate simulations and allow for considerable flexibility in a broad range of applications.

An O( N) and parallel approach to integral problems by a kernel-independent fast multipole method: Application to polarization and magnetization of interacting particles

DOE PAGES

Jiang, Xikai; Li, Jiyuan; Zhao, Xujun; ...

2016-08-10

Large classes of materials systems in physics and engineering are governed by magnetic and electrostatic interactions. Continuum or mesoscale descriptions of such systems can be cast in terms of integral equations, whose direct computational evaluation requires O( N 2) operations, where N is the number of unknowns. Such a scaling, which arises from the many-body nature of the relevant Green's function, has precluded wide-spread adoption of integral methods for solution of large-scale scientific and engineering problems. In this work, a parallel computational approach is presented that relies on using scalable open source libraries and utilizes a kernel-independent Fast Multipole Methodmore » (FMM) to evaluate the integrals in O( N) operations, with O( N) memory cost, thereby substantially improving the scalability and efficiency of computational integral methods. We demonstrate the accuracy, efficiency, and scalability of our approach in the context of two examples. In the first, we solve a boundary value problem for a ferroelectric/ferromagnetic volume in free space. In the second, we solve an electrostatic problem involving polarizable dielectric bodies in an unbounded dielectric medium. Lastly, the results from these test cases show that our proposed parallel approach, which is built on a kernel-independent FMM, can enable highly efficient and accurate simulations and allow for considerable flexibility in a broad range of applications.« less

SEMI-ANALYTIC CALCULATION OF THE TEMPERATURE DISTRIBUTION IN A PERFORATED CIRCLE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kennedy, J.M.; Fowler, J.K.

The flow of heat in a tube-in-shell fuel element is closely related to the two-dimensional heat flow in a circular region perforated by a number of circular holes. Mathematical expressions for the two-dimensional temperature distribution were obtained in terms of sources and sinks of increasing complexity located within the holes and beyond the outer circle. A computer program, TINS, which solves the temperature problem for an array of one or two rings of holes, with or without a center hole, is also described. (auth)

Interactive computer graphics applications for compressible aerodynamics

NASA Technical Reports Server (NTRS)

Benson, Thomas J.

1994-01-01

Three computer applications have been developed to solve inviscid compressible fluids problems using interactive computer graphics. The first application is a compressible flow calculator which solves for isentropic flow, normal shocks, and oblique shocks or centered expansions produced by two dimensional ramps. The second application couples the solutions generated by the first application to a more graphical presentation of the results to produce a desk top simulator of three compressible flow problems: 1) flow past a single compression ramp; 2) flow past two ramps in series; and 3) flow past two opposed ramps. The third application extends the results of the second to produce a design tool which solves for the flow through supersonic external or mixed compression inlets. The applications were originally developed to run on SGI or IBM workstations running GL graphics. They are currently being extended to solve additional types of flow problems and modified to operate on any X-based workstation.

Solution of the one-dimensional consolidation theory equation with a pseudospectral method

USGS Publications Warehouse

Sepulveda, N.; ,

1991-01-01

The one-dimensional consolidation theory equation is solved for an aquifer system using a pseudospectral method. The spatial derivatives are computed using Fast Fourier Transforms and the time derivative is solved using a fourth-order Runge-Kutta scheme. The computer model calculates compaction based on the void ratio changes accumulated during the simulated periods of time. Compactions and expansions resulting from groundwater withdrawals and recharges are simulated for two observation wells in Santa Clara Valley and two in San Joaquin Valley, California. Field data previously published are used to obtain mean values for the soil grain density and the compression index and to generate depth-dependent profiles for hydraulic conductivity and initial void ratio. The water-level plots for the wells studied were digitized and used to obtain the time dependent profiles of effective stress.

Spatial visualization in physics problem solving.

PubMed

Kozhevnikov, Maria; Motes, Michael A; Hegarty, Mary

2007-07-08

Three studies were conducted to examine the relation of spatial visualization to solving kinematics problems that involved either predicting the two-dimensional motion of an object, translating from one frame of reference to another, or interpreting kinematics graphs. In Study 1, 60 physics-naíve students were administered kinematics problems and spatial visualization ability tests. In Study 2, 17 (8 high- and 9 low-spatial ability) additional students completed think-aloud protocols while they solved the kinematics problems. In Study 3, the eye movements of fifteen (9 high- and 6 low-spatial ability) students were recorded while the students solved kinematics problems. In contrast to high-spatial students, most low-spatial students did not combine two motion vectors, were unable to switch frames of reference, and tended to interpret graphs literally. The results of the study suggest an important relationship between spatial visualization ability and solving kinematics problems with multiple spatial parameters. 2007 Cognitive Science Society, Inc.

Efficient Inversion of Mult-frequency and Multi-Source Electromagnetic Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gary D. Egbert

2007-03-22

The project covered by this report focused on development of efficient but robust non-linear inversion algorithms for electromagnetic induction data, in particular for data collected with multiple receivers, and multiple transmitters, a situation extremely common in eophysical EM subsurface imaging methods. A key observation is that for such multi-transmitter problems each step in commonly used linearized iterative limited memory search schemes such as conjugate gradients (CG) requires solution of forward and adjoint EM problems for each of the N frequencies or sources, essentially generating data sensitivities for an N dimensional data-subspace. These multiple sensitivities allow a good approximation to themore » full Jacobian of the data mapping to be built up in many fewer search steps than would be required by application of textbook optimization methods, which take no account of the multiplicity of forward problems that must be solved for each search step. We have applied this idea to a develop a hybrid inversion scheme that combines features of the iterative limited memory type methods with a Newton-type approach using a partial calculation of the Jacobian. Initial tests on 2D problems show that the new approach produces results essentially identical to a Newton type Occam minimum structure inversion, while running more rapidly than an iterative (fixed regularization parameter) CG style inversion. Memory requirements, while greater than for something like CG, are modest enough that even in 3D the scheme should allow 3D inverse problems to be solved on a common desktop PC, at least for modest (~ 100 sites, 15-20 frequencies) data sets. A secondary focus of the research has been development of a modular system for EM inversion, using an object oriented approach. This system has proven useful for more rapid prototyping of inversion algorithms, in particular allowing initial development and testing to be conducted with two-dimensional example problems, before approaching more computationally cumbersome three-dimensional problems.« less

Solution of 3-dimensional time-dependent viscous flows. Part 3: Application to turbulent and unsteady flows

NASA Technical Reports Server (NTRS)

Weinberg, B. C.; Mcdonald, H.

1982-01-01

A numerical scheme is developed for solving the time dependent, three dimensional compressible viscous flow equations to be used as an aid in the design of helicopter rotors. In order to further investigate the numerical procedure, the computer code developed to solve an approximate form of the three dimensional unsteady Navier-Stokes equations employing a linearized block implicit technique in conjunction with a QR operator scheme is tested. Results of calculations are presented for several two dimensional boundary layer flows including steady turbulent and unsteady laminar cases. A comparison of fourth order and second order solutions indicate that increased accuracy can be obtained without any significant increases in cost (run time). The results of the computations also indicate that the computer code can be applied to more complex flows such as those encountered on rotating airfoils. The geometry of a symmetric NACA four digit airfoil is considered and the appropriate geometrical properties are computed.

Effects of van der Waals Force and Thermal Stresses on Pull-in Instability of Clamped Rectangular Microplates

PubMed Central

Batra, Romesh C.; Porfiri, Maurizio; Spinello, Davide

2008-01-01

We study the influence of von Kármán nonlinearity, van der Waals force, and thermal stresses on pull-in instability and small vibrations of electrostatically actuated microplates. We use the Galerkin method to develop a tractable reduced-order model for electrostatically actuated clamped rectangular microplates in the presence of van der Waals forces and thermal stresses. More specifically, we reduce the governing two-dimensional nonlinear transient boundary-value problem to a single nonlinear ordinary differential equation. For the static problem, the pull-in voltage and the pull-in displacement are determined by solving a pair of nonlinear algebraic equations. The fundamental vibration frequency corresponding to a deflected configuration of the microplate is determined by solving a linear algebraic equation. The proposed reduced-order model allows for accurately estimating the combined effects of van der Waals force and thermal stresses on the pull-in voltage and the pull-in deflection profile with an extremely limited computational effort. PMID:27879752

Tensorial Gross-Neveu models

NASA Astrophysics Data System (ADS)

Benedetti, Dario; Carrozza, Sylvain; Gurau, Razvan; Sfondrini, Alessandro

2018-01-01

We define and study various tensorial generalizations of the Gross-Neveu model in two dimensions, that is, models with four-fermion interactions and G 3 symmetry, where we take either G = U( N) or G = O( N). Such models can also be viewed as two-dimensional generalizations of the Sachdev-Ye-Kitaev model, or more precisely of its tensorial counterpart introduced by Klebanov and Tarnopolsky, which is in part our motivation for studying them. Using the Schwinger-Dyson equations at large- N, we discuss the phenomenon of dynamical mass generation and possible combinations of couplings to avoid it. For the case G = U( N),we introduce an intermediate field representation and perform a stability analysis of the vacua. It turns out that the only apparently viable combination of couplings that avoids mass generation corresponds to an unstable vacuum. The stable vacuum breaks U( N)3 invariance, in contradiction with the Coleman-Mermin-Wagner theorem, but this is an artifact of the large- N expansion, similar to the breaking of continuous chiral symmetry in the chiral Gross-Neveu model.

The development of a three-dimensional partially elliptic flow computer program for combustor research

NASA Technical Reports Server (NTRS)

Pan, Y. S.

1978-01-01

A three dimensional, partially elliptic, computer program was developed. Without requiring three dimensional computer storage locations for all flow variables, the partially elliptic program is capable of predicting three dimensional combustor flow fields with large downstream effects. The program requires only slight increase of computer storage over the parabolic flow program from which it was developed. A finite difference formulation for a three dimensional, fully elliptic, turbulent, reacting, flow field was derived. Because of the negligible diffusion effects in the main flow direction in a supersonic combustor, the set of finite-difference equations can be reduced to a partially elliptic form. Only the pressure field was governed by an elliptic equation and requires three dimensional storage; all other dependent variables are governed by parabolic equations. A numerical procedure which combines a marching integration scheme with an iterative scheme for solving the elliptic pressure was adopted.

Large area InN terahertz emitters based on the lateral photo-Dember effect

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wallauer, Jan, E-mail: jan.wallauer@fmf.uni-freiburg.de; Grumber, Christian; Walther, Markus

2015-09-14

Large area terahertz emitters based on the lateral photo-Dember effect in InN (indium nitride) are presented. The formation of lateral photo-Dember currents is induced by laser-illumination through a microstructured metal cover processed onto the InN substrate, causing an asymmetry in the lateral photogenerated charge carrier distribution. Our design uses simple metal structures, which are produced by conventional two-dimensional micro-structuring techniques. Having favoring properties as a photo-Dember material InN is particularly well-suited as a substrate for our emitters. We demonstrate that the emission intensity of the emitters can be significantly influenced by the structure of the metal cover leaving room formore » improvement by optimizing the masking structures.« less

Computational fluid dynamics simulation of sound propagation through a blade row.

PubMed

Zhao, Lei; Qiao, Weiyang; Ji, Liang

2012-10-01

The propagation of sound waves through a blade row is investigated numerically. A wave splitting method in a two-dimensional duct with arbitrary mean flow is presented, based on which pressure amplitude of different wave mode can be extracted at an axial plane. The propagation of sound wave through a flat plate blade row has been simulated by solving the unsteady Reynolds average Navier-Stokes equations (URANS). The transmission and reflection coefficients obtained by Computational Fluid Dynamics (CFD) are compared with semi-analytical results. It indicates that the low order URANS scheme will cause large errors if the sound pressure level is lower than -100 dB (with as reference pressure the product of density, main flow velocity, and speed of sound). The CFD code has sufficient precision when solving the interaction of sound wave and blade row providing the boundary reflections have no substantial influence. Finally, the effects of flow Mach number, blade thickness, and blade turning angle on sound propagation are studied.

Parallel implementation of geometrical shock dynamics for two dimensional converging shock waves

NASA Astrophysics Data System (ADS)

Qiu, Shi; Liu, Kuang; Eliasson, Veronica

2016-10-01

Geometrical shock dynamics (GSD) theory is an appealing method to predict the shock motion in the sense that it is more computationally efficient than solving the traditional Euler equations, especially for converging shock waves. However, to solve and optimize large scale configurations, the main bottleneck is the computational cost. Among the existing numerical GSD schemes, there is only one that has been implemented on parallel computers, with the purpose to analyze detonation waves. To extend the computational advantage of the GSD theory to more general applications such as converging shock waves, a numerical implementation using a spatial decomposition method has been coupled with a front tracking approach on parallel computers. In addition, an efficient tridiagonal system solver for massively parallel computers has been applied to resolve the most expensive function in this implementation, resulting in an efficiency of 0.93 while using 32 HPCC cores. Moreover, symmetric boundary conditions have been developed to further reduce the computational cost, achieving a speedup of 19.26 for a 12-sided polygonal converging shock.

A fast numerical method for the valuation of American lookback put options

NASA Astrophysics Data System (ADS)

Song, Haiming; Zhang, Qi; Zhang, Ran

2015-10-01

A fast and efficient numerical method is proposed and analyzed for the valuation of American lookback options. American lookback option pricing problem is essentially a two-dimensional unbounded nonlinear parabolic problem. We reformulate it into a two-dimensional parabolic linear complementary problem (LCP) on an unbounded domain. The numeraire transformation and domain truncation technique are employed to convert the two-dimensional unbounded LCP into a one-dimensional bounded one. Furthermore, the variational inequality (VI) form corresponding to the one-dimensional bounded LCP is obtained skillfully by some discussions. The resulting bounded VI is discretized by a finite element method. Meanwhile, the stability of the semi-discrete solution and the symmetric positive definiteness of the full-discrete matrix are established for the bounded VI. The discretized VI related to options is solved by a projection and contraction method. Numerical experiments are conducted to test the performance of the proposed method.

Solving the Helmholtz equation in conformal mapped ARROW structures using homotopy perturbation method.

PubMed

Reck, Kasper; Thomsen, Erik V; Hansen, Ole

2011-01-31

The scalar wave equation, or Helmholtz equation, describes within a certain approximation the electromagnetic field distribution in a given system. In this paper we show how to solve the Helmholtz equation in complex geometries using conformal mapping and the homotopy perturbation method. The solution of the mapped Helmholtz equation is found by solving an infinite series of Poisson equations using two dimensional Fourier series. The solution is entirely based on analytical expressions and is not mesh dependent. The analytical results are compared to a numerical (finite element method) solution.

Continuum strong-coupling expansion of Yang-Mills theory: quark confinement and infra-red slavery

NASA Astrophysics Data System (ADS)

Mansfield, Paul

1994-04-01

We solve Schrödinger's equation for the ground-state of four-dimensional Yang-Mills theory as an expansion in inverse powers of the coupling. Expectation values computed with the leading-order approximation are reduced to a calculation in two-dimensional Yang-Mills theory which is known to confine. Consequently the Wilson loop in the four-dimensional theory obeys an area law to leading order and the coupling becomes infinite as the mass scale goes to zero.

Three-dimensional viscous rotor flow calculations using a viscous-inviscid interaction approach

NASA Technical Reports Server (NTRS)

Chen, Ching S.; Bridgeman, John O.

1990-01-01

A three-dimensional viscous-inviscid interaction analysis was developed to predict the performance of rotors in hover and in forward flight at subsonic and transonic tip speeds. The analysis solves the full-potential and boundary-layer equations by finite-difference numerical procedures. Calculations were made for several different model rotor configurations. The results were compared with predictions from a two-dimensional integral method and with experimental data. The comparisons show good agreement between predictions and test data.

Quantum trilogy: discrete Toda, Y-system and chaos

NASA Astrophysics Data System (ADS)

Yamazaki, Masahito

2018-02-01

We discuss a discretization of the quantum Toda field theory associated with a semisimple finite-dimensional Lie algebra or a tamely-laced infinite-dimensional Kac-Moody algebra G, generalizing the previous construction of discrete quantum Liouville theory for the case G  =  A 1. The model is defined on a discrete two-dimensional lattice, whose spatial direction is of length L. In addition we also find a ‘discretized extra dimension’ whose width is given by the rank r of G, which decompactifies in the large r limit. For the case of G  =  A N or AN-1(1) , we find a symmetry exchanging L and N under appropriate spatial boundary conditions. The dynamical time evolution rule of the model is quantizations of the so-called Y-system, and the theory can be well described by the quantum cluster algebra. We discuss possible implications for recent discussions of quantum chaos, and comment on the relation with the quantum higher Teichmüller theory of type A N .

Feature-based three-dimensional registration for repetitive geometry in machine vision

PubMed Central

Gong, Yuanzheng; Seibel, Eric J.

2016-01-01

As an important step in three-dimensional (3D) machine vision, 3D registration is a process of aligning two or multiple 3D point clouds that are collected from different perspectives together into a complete one. The most popular approach to register point clouds is to minimize the difference between these point clouds iteratively by Iterative Closest Point (ICP) algorithm. However, ICP does not work well for repetitive geometries. To solve this problem, a feature-based 3D registration algorithm is proposed to align the point clouds that are generated by vision-based 3D reconstruction. By utilizing texture information of the object and the robustness of image features, 3D correspondences can be retrieved so that the 3D registration of two point clouds is to solve a rigid transformation. The comparison of our method and different ICP algorithms demonstrates that our proposed algorithm is more accurate, efficient and robust for repetitive geometry registration. Moreover, this method can also be used to solve high depth uncertainty problem caused by little camera baseline in vision-based 3D reconstruction. PMID:28286703

Numerical simulation of flow through the Langley parametric scramjet engine

NASA Technical Reports Server (NTRS)

Srinivasan, Shivakumar; Kamath, Pradeep S.; Mcclinton, Charles R.

1989-01-01

The numerical simulation of a three-dimensional turbulent, reacting flow through the entire Langley parametric scramjet engine has been obtained using a piecewise elliptic approach. The last section in the combustor has been analyzed using a parabolized Navier-Stokes code. The facility nozzle flow was analyzed as a first step. The outflow conditions from the nozzle were chosen as the inflow conditions of the scramjet inlet. The nozzle and the inlet simulation were accomplished by solving the three-dimensional Navier-Stokes equations with a perfect gas assumption. The inlet solution downstream of the scramjet throat was used to provide inflow conditions for the combustor region. The first two regions of the combustor were analyzed using the MacCormack's explicit scheme. However, the source terms in the species equations were solved implicitly. The finite rate chemistry was modeled using the two-step reaction model of Rogers and Chinitz. A complete reaction model was used in the PNS code to solve the last combustor region. The numerical solutions provide an insight of the flow details in a complete hydrogen-fueled scramjet engine module.

Application of Central Upwind Scheme for Solving Special Relativistic Hydrodynamic Equations

PubMed Central

Yousaf, Muhammad; Ghaffar, Tayabia; Qamar, Shamsul

2015-01-01

The accurate modeling of various features in high energy astrophysical scenarios requires the solution of the Einstein equations together with those of special relativistic hydrodynamics (SRHD). Such models are more complicated than the non-relativistic ones due to the nonlinear relations between the conserved and state variables. A high-resolution shock-capturing central upwind scheme is implemented to solve the given set of equations. The proposed technique uses the precise information of local propagation speeds to avoid the excessive numerical diffusion. The second order accuracy of the scheme is obtained with the use of MUSCL-type initial reconstruction and Runge-Kutta time stepping method. After a discussion of the equations solved and of the techniques employed, a series of one and two-dimensional test problems are carried out. To validate the method and assess its accuracy, the staggered central and the kinetic flux-vector splitting schemes are also applied to the same model. The scheme is robust and efficient. Its results are comparable to those obtained from the sophisticated algorithms, even in the case of highly relativistic two-dimensional test problems. PMID:26070067

Identification of the Thermal Conductivity Coefficient for Quasi-Stationary Two-Dimensional Heat Conduction Equations

NASA Astrophysics Data System (ADS)

Matsevityi, Yu. M.; Alekhina, S. V.; Borukhov, V. T.; Zayats, G. M.; Kostikov, A. O.

2017-11-01

The problem of identifying the time-dependent thermal conductivity coefficient in the initial-boundary-value problem for the quasi-stationary two-dimensional heat conduction equation in a bounded cylinder is considered. It is assumed that the temperature field in the cylinder is independent of the angular coordinate. To solve the given problem, which is related to a class of inverse problems, a mathematical approach based on the method of conjugate gradients in a functional form is being developed.

Three-dimensional study of grain boundary engineering effects on intergranular stress corrosion cracking of 316 stainless steel in high temperature water

NASA Astrophysics Data System (ADS)

Liu, Tingguang; Xia, Shuang; Bai, Qin; Zhou, Bangxin; Zhang, Lefu; Lu, Yonghao; Shoji, Tetsuo

2018-01-01

The intergranular cracks and grain boundary (GB) network of a GB-engineered 316 stainless steel after stress corrosion cracking (SCC) test in high temperature high pressure water of reactor environment were investigated by two-dimensional and three-dimensional (3D) characterization in order to expose the mechanism that GB-engineering mitigates intergranular SCC. The 3D microstructure shown that the essential characteristic of the GB-engineered microstructure is formation of many large twin-boundaries as a result of multiple-twinning, which results in the formation of large grain-clusters. The large grain-clusters played a key role to the improvement of intergranular SCC resistance by GB-engineering. The main intergranular cracks propagated in a zigzag along the outer boundaries of these large grain-clusters because all inner boundaries of the grain-clusters were twin-boundaries (∑3) or twin-related boundaries (∑3n) which had much lower susceptibility to SCC than random boundaries. These large grain-clusters had tree-ring-shaped topology structure and very complex morphology. They got tangled so that difficult to be separated during SCC, resulting in some large crack-bridges retained in the crack surface.

Structure of the Putative 32 kDa Myrosinase Binding Protein from Arabidopsis (At3g16450.1) Determined by SAIL-NMR

PubMed Central

Takeda, Mitsuhiro; Sugimori, Nozomi; Torizawa, Takuya; Terauchi, Tsutomu; Ono, Akira Mei; Yagi, Hirokazu; Yamaguchi, Yoshiki; Kato, Koichi; Ikeya, Teppei; Jee, JunGoo; Güntert, Peter; Aceti, David J.; Markley, John L.; Kainosho, Masatsune

2009-01-01

The product of gene At3g16450.1 from Arabidopsis thaliana is a 32 kDa, 299-residue protein classified as resembling a myrosinase-binding protein (MyroBP). MyroBPs are found in plants as part of a complex with the glucosinolate-degrading enzyme, myrosinase, and are suspected to play a role in myrosinase-dependent defense against pathogens. Many MyroBPs and MyroBP-related proteins are composed of repeated homologous sequences with unknown structure. We report here the three-dimensional structure of the At3g16450.1 protein from Arabidopsis, which consists of two tandem repeats. Because the size of the protein is larger than that amenable to high-throughput analysis by uniformly 13C/15N labeling methods, we used our stereo-array isotope labeling (SAIL) technology to prepare an optimally 2H/13C/15N-labeled sample. NMR data sets collected with the SAIL-protein enabled us to assign 1H, 13C and 15N chemical shifts to 95.5% of all atoms, even at the low concentration (0.2 mM) of the protein product. We collected additional NOESY data and solved the three-dimensional structure with the CYANA software package. The structure, the first for a MyroBP family member, revealed that the At3g16450.1 protein consists of two independent, but similar, lectin-fold domains composed of three β-sheets. PMID:19021763

Comparison between results of solution of Burgers' equation and Laplace's equation by Galerkin and least-square finite element methods

NASA Astrophysics Data System (ADS)

Adib, Arash; Poorveis, Davood; Mehraban, Farid

2018-03-01

In this research, two equations are considered as examples of hyperbolic and elliptic equations. In addition, two finite element methods are applied for solving of these equations. The purpose of this research is the selection of suitable method for solving each of two equations. Burgers' equation is a hyperbolic equation. This equation is a pure advection (without diffusion) equation. This equation is one-dimensional and unsteady. A sudden shock wave is introduced to the model. This wave moves without deformation. In addition, Laplace's equation is an elliptical equation. This equation is steady and two-dimensional. The solution of Laplace's equation in an earth dam is considered. By solution of Laplace's equation, head pressure and the value of seepage in the directions X and Y are calculated in different points of earth dam. At the end, water table is shown in the earth dam. For Burgers' equation, least-square method can show movement of wave with oscillation but Galerkin method can not show it correctly (the best method for solving of the Burgers' equation is discrete space by least-square finite element method and discrete time by forward difference.). For Laplace's equation, Galerkin and least square methods can show water table correctly in earth dam.

Computation and visualization of spreading depression based on reaction-diffusion equation with recovery

NASA Astrophysics Data System (ADS)

Ding, Hongxia; Chen, Shangbin; Zeng, Shuai; Zeng, Shaoqun; Liu, Qian; Luo, Qingming

2008-12-01

Spreading depression (SD) shows as propagating suppression of electrical activity, which relates with migraine and focal cerebral ischaemia. The putative mechanism of SD is the reaction-diffusion hypothesis involving potassium ions. In part inspired by optical imaging of two SD waves collision, we aimed to show the merged and large wavefront but not annihilation during collision by experimental and computational study. This paper modified Reggia et al established bistable equation with recovery to compute and visualize SD. Firstly, the media tissue of SD was assumed as one-dimensional continuum. The Crank-Nicholson method was used to solve the modified equations with recovery term. Then, the computation results were extended to two-dimensional space by symmetry. One individual SD was visualized as a concentric wave initiating from the stimulation point. The mergence but not annihilation of two colliding waves of SD was demonstrated. In addition, the dynamics of SD depending on the parameters was studied and presented. The results allied SD with the emerging concepts of volume transmission. This work not only supplied a paradigm to compute and visualize SD but also became a tool to explore the mechanisms of SD.

REVIEWS OF TOPICAL PROBLEMS: Axisymmetric stationary flows in compact astrophysical objects

NASA Astrophysics Data System (ADS)

Beskin, Vasilii S.

1997-07-01

A review is presented of the analytical results available for a large class of axisymmetric stationary flows in the vicinity of compact astrophysical objects. The determination of the two-dimensional structure of the poloidal magnetic field (hydrodynamic flow field) faces severe difficulties, due to the complexity of the trans-field equation for stationary axisymmetric flows. However, an approach exists which enables direct problems to be solved even within the balance law framework. This possibility arises when an exact solution to the equation is available and flows close to it are investigated. As a result, with the use of simple model problems, the basic features of supersonic flows past real compact objects are determined.

New algorithms for solving high even-order differential equations using third and fourth Chebyshev-Galerkin methods

NASA Astrophysics Data System (ADS)

Doha, E. H.; Abd-Elhameed, W. M.; Bassuony, M. A.

2013-03-01

This paper is concerned with spectral Galerkin algorithms for solving high even-order two point boundary value problems in one dimension subject to homogeneous and nonhomogeneous boundary conditions. The proposed algorithms are extended to solve two-dimensional high even-order differential equations. The key to the efficiency of these algorithms is to construct compact combinations of Chebyshev polynomials of the third and fourth kinds as basis functions. The algorithms lead to linear systems with specially structured matrices that can be efficiently inverted. Numerical examples are included to demonstrate the validity and applicability of the proposed algorithms, and some comparisons with some other methods are made.

Fast Neural Solution Of A Nonlinear Wave Equation

NASA Technical Reports Server (NTRS)

Barhen, Jacob; Toomarian, Nikzad

1996-01-01

Neural algorithm for simulation of class of nonlinear wave phenomena devised. Numerically solves special one-dimensional case of Korteweg-deVries equation. Intended to be executed rapidly by neural network implemented as charge-coupled-device/charge-injection device, very-large-scale integrated-circuit analog data processor of type described in "CCD/CID Processors Would Offer Greater Precision" (NPO-18972).

Large-scale computation of incompressible viscous flow by least-squares finite element method

NASA Technical Reports Server (NTRS)

Jiang, Bo-Nan; Lin, T. L.; Povinelli, Louis A.

1993-01-01

The least-squares finite element method (LSFEM) based on the velocity-pressure-vorticity formulation is applied to large-scale/three-dimensional steady incompressible Navier-Stokes problems. This method can accommodate equal-order interpolations and results in symmetric, positive definite algebraic system which can be solved effectively by simple iterative methods. The first-order velocity-Bernoulli function-vorticity formulation for incompressible viscous flows is also tested. For three-dimensional cases, an additional compatibility equation, i.e., the divergence of the vorticity vector should be zero, is included to make the first-order system elliptic. The simple substitution of the Newton's method is employed to linearize the partial differential equations, the LSFEM is used to obtain discretized equations, and the system of algebraic equations is solved using the Jacobi preconditioned conjugate gradient method which avoids formation of either element or global matrices (matrix-free) to achieve high efficiency. To show the validity of this scheme for large-scale computation, we give numerical results for 2D driven cavity problem at Re = 10000 with 408 x 400 bilinear elements. The flow in a 3D cavity is calculated at Re = 100, 400, and 1,000 with 50 x 50 x 50 trilinear elements. The Taylor-Goertler-like vortices are observed for Re = 1,000.

Inverse-scattering-theory approach to the exact n→∞ solutions of O(n) ϕ⁴ models on films and semi-infinite systems bounded by free surfaces.

PubMed

Rutkevich, Sergei B; Diehl, H W

2015-06-01

The O(n) ϕ(4) model on a strip bounded by a pair of planar free surfaces at separation L can be solved exactly in the large-n limit in terms of the eigenvalues and eigenfunctions of a self-consistent one-dimensional Schrödinger equation. The scaling limit of a continuum version of this model is considered. It is shown that the self-consistent potential can be eliminated in favor of scattering data by means of appropriately extended methods of inverse scattering theory. The scattering data (Jost function) associated with the self-consistent potential are determined for the L=∞ semi-infinite case in the scaling regime for all values of the temperature scaling field t=(T-T(c))/T(c) above and below the bulk critical temperature T(c). These results are used in conjunction with semiclassical and boundary-operator expansions and a trace formula to derive exact analytical results for a number of quantities such as two-point functions, universal amplitudes of two excess surface quantities, the universal amplitude difference associated with the thermal singularity of the surface free energy, and potential coefficients. The asymptotic behaviors of the scaled eigenenergies and eigenfunctions of the self-consistent Schrödinger equation as function of x=t(L/ξ(+))(1/ν) are determined for x→-∞. In addition, the asymptotic x→-∞ forms of the universal finite-size scaling functions Θ(x) and ϑ(x) of the residual free energy and the Casimir force are computed exactly to order 1/x, including their x(-1)ln|x| anomalies.

Low frequency acoustic and electromagnetic scattering

NASA Technical Reports Server (NTRS)

Hariharan, S. I.; Maccamy, R. C.

1986-01-01

This paper deals with two classes of problems arising from acoustics and electromagnetics scattering in the low frequency stations. The first class of problem is solving Helmholtz equation with Dirichlet boundary conditions on an arbitrary two dimensional body while the second one is an interior-exterior interface problem with Helmholtz equation in the exterior. Low frequency analysis show that there are two intermediate problems which solve the above problems accurate to 0(k/2/ log k) where k is the frequency. These solutions greatly differ from the zero frequency approximations. For the Dirichlet problem numerical examples are shown to verify the theoretical estimates.

Equilibrium states of homogeneous sheared compressible turbulence

NASA Astrophysics Data System (ADS)

Riahi, M.; Lili, T.

2011-06-01

Equilibrium states of homogeneous compressible turbulence subjected to rapid shear is studied using rapid distortion theory (RDT). The purpose of this study is to determine the numerical solutions of unsteady linearized equations governing double correlations spectra evolution. In this work, RDT code developed by authors solves these equations for compressible homogeneous shear flows. Numerical integration of these equations is carried out using a second-order simple and accurate scheme. The two Mach numbers relevant to homogeneous shear flow are the turbulent Mach number Mt, given by the root mean square turbulent velocity fluctuations divided by the speed of sound, and the gradient Mach number Mg which is the mean shear rate times the transverse integral scale of the turbulence divided by the speed of sound. Validation of this code is performed by comparing RDT results with direct numerical simulation (DNS) of [A. Simone, G.N. Coleman, and C. Cambon, Fluid Mech. 330, 307 (1997)] and [S. Sarkar, J. Fluid Mech. 282, 163 (1995)] for various values of initial gradient Mach number Mg0. It was found that RDT is valid for small values of the non-dimensional times St (St < 3.5). It is important to note that RDT is also valid for large values of St (St > 10) in particular for large values of Mg0. This essential feature justifies the resort to RDT in order to determine equilibrium states in the compressible regime.

Visual analytics of large multidimensional data using variable binned scatter plots

NASA Astrophysics Data System (ADS)

Hao, Ming C.; Dayal, Umeshwar; Sharma, Ratnesh K.; Keim, Daniel A.; Janetzko, Halldór

2010-01-01

The scatter plot is a well-known method of visualizing pairs of two-dimensional continuous variables. Multidimensional data can be depicted in a scatter plot matrix. They are intuitive and easy-to-use, but often have a high degree of overlap which may occlude a significant portion of data. In this paper, we propose variable binned scatter plots to allow the visualization of large amounts of data without overlapping. The basic idea is to use a non-uniform (variable) binning of the x and y dimensions and plots all the data points that fall within each bin into corresponding squares. Further, we map a third attribute to color for visualizing clusters. Analysts are able to interact with individual data points for record level information. We have applied these techniques to solve real-world problems on credit card fraud and data center energy consumption to visualize their data distribution and cause-effect among multiple attributes. A comparison of our methods with two recent well-known variants of scatter plots is included.

On the reduction of 4d $$ \\mathcal{N}=1 $$ theories on $$ {\\mathbb{S}}^2 $$

DOE PAGES

Gadde, Abhijit; Razamat, Shlomo S.; Willett, Brian

2015-11-24

Here, we discuss reductions of generalmore » $$ \\mathcal{N}=1 $$ four dimensional gauge theories on $$ {\\mathbb{S}}^2 $$. The effective two dimensional theory one obtains depends on the details of the coupling of the theory to background fields, which can be translated to a choice of R-symmetry. We argue that, for special choices of R-symmetry, the resulting two dimensional theory has a natural interpretation as an $$ \\mathcal{N}(0,2) $$ gauge theory. As an application of our general observations, we discuss reductions of $$ \\mathcal{N}=1 $$ and $$ \\mathcal{N}=2 $$ dualities and argue that they imply certain two dimensional dualities.« less

Nonlinear structures: Cnoidal, soliton, and periodical waves in quantum semiconductor plasma

NASA Astrophysics Data System (ADS)

Tolba, R. E.; El-Bedwehy, N. A.; Moslem, W. M.; El-Labany, S. K.; Yahia, M. E.

2016-01-01

Properties and emerging conditions of various nonlinear acoustic waves in a three dimensional quantum semiconductor plasma are explored. A plasma fluid model characterized by degenerate pressures, exchange correlation, and quantum recoil forces is established and solved. Our analysis approach is based on the reductive perturbation theory for deriving the Kadomtsev-Petviashvili equation from the fluid model and solving it by using Painlevé analysis to come up with different nonlinear solutions that describe different pulse profiles such as cnoidal, soliton, and periodical pulses. The model is then employed to recognize the possible perturbations in GaN semiconductor.

Nonlinear structures: Cnoidal, soliton, and periodical waves in quantum semiconductor plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tolba, R. E., E-mail: tolba-math@yahoo.com; El-Bedwehy, N. A., E-mail: nab-elbedwehy@yahoo.com; Moslem, W. M., E-mail: wmmoslem@hotmail.com

2016-01-15

Properties and emerging conditions of various nonlinear acoustic waves in a three dimensional quantum semiconductor plasma are explored. A plasma fluid model characterized by degenerate pressures, exchange correlation, and quantum recoil forces is established and solved. Our analysis approach is based on the reductive perturbation theory for deriving the Kadomtsev-Petviashvili equation from the fluid model and solving it by using Painlevé analysis to come up with different nonlinear solutions that describe different pulse profiles such as cnoidal, soliton, and periodical pulses. The model is then employed to recognize the possible perturbations in GaN semiconductor.

Two-dimensional grid-free compressive beamforming.

PubMed

Yang, Yang; Chu, Zhigang; Xu, Zhongming; Ping, Guoli

2017-08-01

Compressive beamforming realizes the direction-of-arrival (DOA) estimation and strength quantification of acoustic sources by solving an underdetermined system of equations relating microphone pressures to a source distribution via compressive sensing. The conventional method assumes DOAs of sources to lie on a grid. Its performance degrades due to basis mismatch when the assumption is not satisfied. To overcome this limitation for the measurement with plane microphone arrays, a two-dimensional grid-free compressive beamforming is developed. First, a continuum based atomic norm minimization is defined to denoise the measured pressure and thus obtain the pressure from sources. Next, a positive semidefinite programming is formulated to approximate the atomic norm minimization. Subsequently, a reasonably fast algorithm based on alternating direction method of multipliers is presented to solve the positive semidefinite programming. Finally, the matrix enhancement and matrix pencil method is introduced to process the obtained pressure and reconstruct the source distribution. Both simulations and experiments demonstrate that under certain conditions, the grid-free compressive beamforming can provide high-resolution and low-contamination imaging, allowing accurate and fast estimation of two-dimensional DOAs and quantification of source strengths, even with non-uniform arrays and noisy measurements.

Structure of the cytoplasmic domain of Yersinia pestis YscD, an essential component of the type III secretion system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lountos, George T.; Tropea, Joseph E.; Waugh, David S.

2012-09-17

The Yersinia pestis YscD protein is an essential component of the type III secretion system. YscD consists of an N-terminal cytoplasmic domain (residues 1-121), a transmembrane linker (122-142) and a large periplasmic domain (143-419). Both the cytoplasmic and the periplasmic domains are required for the assembly of the type III secretion system. Here, the structure of the YscD cytoplasmic domain solved by SAD phasing is presented. Although the three-dimensional structure is similar to those of forkhead-associated (FHA) domains, comparison with the structures of canonical FHA domains revealed that the cytoplasmic domain of YscD lacks the conserved residues that are requiredmore » for binding phosphothreonine and is therefore unlikely to function as a true FHA domain.« less

Quantum Search in Hilbert Space

NASA Technical Reports Server (NTRS)

Zak, Michail

2003-01-01

A proposed quantum-computing algorithm would perform a search for an item of information in a database stored in a Hilbert-space memory structure. The algorithm is intended to make it possible to search relatively quickly through a large database under conditions in which available computing resources would otherwise be considered inadequate to perform such a task. The algorithm would apply, more specifically, to a relational database in which information would be stored in a set of N complex orthonormal vectors, each of N dimensions (where N can be exponentially large). Each vector would constitute one row of a unitary matrix, from which one would derive the Hamiltonian operator (and hence the evolutionary operator) of a quantum system. In other words, all the stored information would be mapped onto a unitary operator acting on a quantum state that would represent the item of information to be retrieved. Then one could exploit quantum parallelism: one could pose all search queries simultaneously by performing a quantum measurement on the system. In so doing, one would effectively solve the search problem in one computational step. One could exploit the direct- and inner-product decomposability of the unitary matrix to make the dimensionality of the memory space exponentially large by use of only linear resources. However, inasmuch as the necessary preprocessing (the mapping of the stored information into a Hilbert space) could be exponentially expensive, the proposed algorithm would likely be most beneficial in applications in which the resources available for preprocessing were much greater than those available for searching.

A progress report on seismic model studies

USGS Publications Warehouse

Healy, J.H.; Mangan, G.B.

1963-01-01

The value of seismic-model studies as an aid to understanding wave propagation in the Earth's crust was recognized by early investigators (Tatel and Tuve, 1955). Preliminary model results were very promising, but progress in model seismology has been restricted by two problems: (1) difficulties in the development of models with continuously variable velocity-depth functions, and (2) difficulties in the construction of models of adequate size to provide a meaningful wave-length to layer-thickness ratio. The problem of a continuously variable velocity-depth function has been partly solved by a technique using two-dimensional plate models constructed by laminating plastic to aluminum, so that the ratio of plastic to aluminum controls the velocity-depth function (Healy and Press, 1960). These techniques provide a continuously variable velocity-depth function, but it is not possible to construct such models large enough to study short-period wave propagation in the crust. This report describes improvements in our ability to machine large models. Two types of models are being used: one is a cylindrical aluminum tube machined on a lathe, and the other is a large plate machined on a precision planer. Both of these modeling techniques give promising results and are a significant improvement over earlier efforts.

Fast Eigensolver for Computing 3D Earth's Normal Modes

NASA Astrophysics Data System (ADS)

Shi, J.; De Hoop, M. V.; Li, R.; Xi, Y.; Saad, Y.

2017-12-01

We present a novel parallel computational approach to compute Earth's normal modes. We discretize Earth via an unstructured tetrahedral mesh and apply the continuous Galerkin finite element method to the elasto-gravitational system. To resolve the eigenvalue pollution issue, following the analysis separating the seismic point spectrum, we utilize explicitly a representation of the displacement for describing the oscillations of the non-seismic modes in the fluid outer core. Effectively, we separate out the essential spectrum which is naturally related to the Brunt-Väisälä frequency. We introduce two Lanczos approaches with polynomial and rational filtering for solving this generalized eigenvalue problem in prescribed intervals. The polynomial filtering technique only accesses the matrix pair through matrix-vector products and is an ideal candidate for solving three-dimensional large-scale eigenvalue problems. The matrix-free scheme allows us to deal with fluid separation and self-gravitation in an efficient way, while the standard shift-and-invert method typically needs an explicit shifted matrix and its factorization. The rational filtering method converges much faster than the standard shift-and-invert procedure when computing all the eigenvalues inside an interval. Both two Lanczos approaches solve for the internal eigenvalues extremely accurately, comparing with the standard eigensolver. In our computational experiments, we compare our results with the radial earth model benchmark, and visualize the normal modes using vector plots to illustrate the properties of the displacements in different modes.

Three-dimensional nanostructure determination from a large diffraction data set recorded using scanning electron nanodiffraction.

PubMed

Meng, Yifei; Zuo, Jian-Min

2016-09-01

A diffraction-based technique is developed for the determination of three-dimensional nanostructures. The technique employs high-resolution and low-dose scanning electron nanodiffraction (SEND) to acquire three-dimensional diffraction patterns, with the help of a special sample holder for large-angle rotation. Grains are identified in three-dimensional space based on crystal orientation and on reconstructed dark-field images from the recorded diffraction patterns. Application to a nanocrystalline TiN thin film shows that the three-dimensional morphology of columnar TiN grains of tens of nanometres in diameter can be reconstructed using an algebraic iterative algorithm under specified prior conditions, together with their crystallographic orientations. The principles can be extended to multiphase nanocrystalline materials as well. Thus, the tomographic SEND technique provides an effective and adaptive way of determining three-dimensional nanostructures.

Solving large scale structure in ten easy steps with COLA

NASA Astrophysics Data System (ADS)

Tassev, Svetlin; Zaldarriaga, Matias; Eisenstein, Daniel J.

2013-06-01

We present the COmoving Lagrangian Acceleration (COLA) method: an N-body method for solving for Large Scale Structure (LSS) in a frame that is comoving with observers following trajectories calculated in Lagrangian Perturbation Theory (LPT). Unlike standard N-body methods, the COLA method can straightforwardly trade accuracy at small-scales in order to gain computational speed without sacrificing accuracy at large scales. This is especially useful for cheaply generating large ensembles of accurate mock halo catalogs required to study galaxy clustering and weak lensing, as those catalogs are essential for performing detailed error analysis for ongoing and future surveys of LSS. As an illustration, we ran a COLA-based N-body code on a box of size 100 Mpc/h with particles of mass ≈ 5 × 109Msolar/h. Running the code with only 10 timesteps was sufficient to obtain an accurate description of halo statistics down to halo masses of at least 1011Msolar/h. This is only at a modest speed penalty when compared to mocks obtained with LPT. A standard detailed N-body run is orders of magnitude slower than our COLA-based code. The speed-up we obtain with COLA is due to the fact that we calculate the large-scale dynamics exactly using LPT, while letting the N-body code solve for the small scales, without requiring it to capture exactly the internal dynamics of halos. Achieving a similar level of accuracy in halo statistics without the COLA method requires at least 3 times more timesteps than when COLA is employed.

NMR Analysis of Unknowns: An Introduction to 2D NMR Spectroscopy

ERIC Educational Resources Information Center

Alonso, David E.; Warren, Steven E.

2005-01-01

A study combined 1D (one-dimensional) and 2D (two-dimensional) NMR spectroscopy to solve structural organic problems of three unknowns, which include 2-, 3-, and 4-heptanone. Results showed [to the first power]H NMR and [to the thirteenth power]C NMR signal assignments for 2- and 3-heptanone were more challenging than for 4-heptanone owing to the…

Comparison of Mars Science Laboratory Reaction Control System Jet Computations With Flow Visualization and Velocimetry

NASA Technical Reports Server (NTRS)

Bathel, Brett F.; Danehy, Paul M.; Johansen, Craig T.; Ashcraft, Scott W.; Novak, Luke A.

2013-01-01

Numerical predictions of the Mars Science Laboratory reaction control system jets interacting with a Mach 10 hypersonic flow are compared to experimental nitric oxide planar laser-induced fluorescence data. The steady Reynolds Averaged Navier Stokes equations using the Baldwin-Barth one-equation turbulence model were solved using the OVERFLOW code. The experimental fluorescence data used for comparison consists of qualitative two-dimensional visualization images, qualitative reconstructed three-dimensional flow structures, and quantitative two-dimensional distributions of streamwise velocity. Through modeling of the fluorescence signal equation, computational flow images were produced and directly compared to the qualitative fluorescence data.

Full-Scale Direct Numerical Simulation of Two- and Three-Dimensional Instabilities and Rivulet Formulation in Heated Falling Films

NASA Technical Reports Server (NTRS)

Krishnamoorthy, S.; Ramaswamy, B.; Joo, S. W.

1995-01-01

A thin film draining on an inclined plate has been studied numerically using finite element method. Three-dimensional governing equations of continuity, momentum and energy with a moving boundary are integrated in an arbitrary Lagrangian Eulerian frame of reference. Kinematic equation is solved to precisely update interface location. Rivulet formation based on instability mechanism has been simulated using full-scale computation. Comparisons with long-wave theory are made to validate the numerical scheme. Detailed analysis of two- and three-dimensional nonlinear wave formation and spontaneous rupture forming rivulets under the influence of combined thermocapillary and surface-wave instabilities is performed.

Location of protons in N-H···N hydrogen-bonded systems: a theoretical study on intramolecular pyridine-dihydropyridine and pyridine-pyridinium pairs.

PubMed

Mori, Yukie; Takano, Keiko

2012-08-21

Two-dimensional potential energy surfaces (PESs) were calculated for the degenerate intramolecular proton transfer (PT) in two N-H···N hydrogen-bonded systems, (Z)-2-(2-pyridylmethylidene)-1,2-dihydropyridine (1) and monoprotonated di(2-pyridyl) ether (2), at the MP2/cc-pVDZ level of theory. The calculated PES had two minima in both cases. The energy barrier in 1 was higher than the zero-point energy (ZPE) level, while that in 2 was close to the ZPE. Vibrational wavefunctions were obtained by solving time-independent Schrödinger equations with the calculated PESs. The maximum points of the probability density were shifted from the energy minima towards the region where the covalent N-H bond was elongated and the N···N distance shortened. The effects of a polar solvent on the PES were investigated with the continuum or cluster models in such a way that the solute-solvent electrostatic interactions could be taken into account under non-equilibrated conditions. A solvated contact ion-pair was modelled by a cluster consisting of one cation 2, one chloride ion and 26 molecules of acetonitrile. The calculation with this model suggested that the bridging proton is localised in the deeper well due to the significant asymmetry of the PES and the high potential barrier.

On the Maxwell-Stefan approach to diffusion: a general resolution in the transient regime for one-dimensional systems.

PubMed

Leonardi, Erminia; Angeli, Celestino

2010-01-14

The diffusion process in a multicomponent system can be formulated in a general form by the generalized Maxwell-Stefan equations. This formulation is able to describe the diffusion process in different systems, such as, for instance, bulk diffusion (in the gas, liquid, and solid phase) and diffusion in microporous materials (membranes, zeolites, nanotubes, etc.). The Maxwell-Stefan equations can be solved analytically (only in special cases) or by numerical approaches. Different numerical strategies have been previously presented, but the number of diffusing species is normally restricted, with only few exceptions, to three in bulk diffusion and to two in microporous systems, unless simplifications of the Maxwell-Stefan equations are considered. In the literature, a large effort has been devoted to the derivation of the analytic expression of the elements of the Fick-like diffusion matrix and therefore to the symbolic inversion of a square matrix with dimensions n x n (n being the number of independent components). This step, which can be easily performed for n = 2 and remains reasonable for n = 3, becomes rapidly very complex in problems with a large number of components. This paper addresses the problem of the numerical resolution of the Maxwell-Stefan equations in the transient regime for a one-dimensional system with a generic number of components, avoiding the definition of the analytic expression of the elements of the Fick-like diffusion matrix. To this aim, two approaches have been implemented in a computational code; the first is the simple finite difference second-order accurate in time Crank-Nicolson scheme for which the full mathematical derivation and the relevant final equations are reported. The second is based on the more accurate backward differentiation formulas, BDF, or Gear's method (Shampine, L. F. ; Gear, C. W. SIAM Rev. 1979, 21, 1.), as implemented in the Livermore solver for ordinary differential equations, LSODE (Hindmarsh, A. C. Serial Fortran Solvers for ODE Initial Value Problems, Technical Report; https://computation.llnl.gov/casc/odepack/odepack_ home.html (2006).). Both methods have been applied to a series of specific problems, such as bulk diffusion of acetone and methanol through stagnant air, uptake of two components on a microporous material in a model system, and permeation across a microporous membrane in model systems, both with the aim to validate the method and to add new information to the comprehension of the peculiar behavior of these systems. The approach is validated by comparison with different published results and with analytic expressions for the steady-state concentration profiles or fluxes in particular systems. The possibility to treat a generic number of components (the limitation being essentially the computational power) is also tested, and results are reported on the permeation of a five component mixture through a membrane in a model system. It is worth noticing that the algorithm here reported can be applied also to the Fick formulation of the diffusion problem with concentration-dependent diffusion coefficients.

Calculation of three-dimensional compressible laminar and turbulent boundary layers. An implicit finite-difference procedure for solving the three-dimensional compressible laminar, transitional, and turbulent boundary-layer equations

NASA Technical Reports Server (NTRS)

Harris, J. E.

1975-01-01

An implicit finite-difference procedure is presented for solving the compressible three-dimensional boundary-layer equations. The method is second-order accurate, unconditionally stable (conditional stability for reverse cross flow), and efficient from the viewpoint of computer storage and processing time. The Reynolds stress terms are modeled by (1) a single-layer mixing length model and (2) a two-layer eddy viscosity model. These models, although simple in concept, accurately predicted the equilibrium turbulent flow for the conditions considered. Numerical results are compared with experimental wall and profile data for a cone at an angle of attack larger than the cone semiapex angle. These comparisons clearly indicate that the numerical procedure and turbulence models accurately predict the experimental data with as few as 21 nodal points in the plane normal to the wall boundary.

Rarefied gas flow through two-dimensional nozzles

NASA Technical Reports Server (NTRS)

De Witt, Kenneth J.; Jeng, Duen-Ren; Keith, Theo G., Jr.; Chung, Chan-Hong

1989-01-01

A kinetic theory analysis is made of the flow of a rarefied gas from one reservoir to another through two-dimensional nozzles with arbitrary curvature. The Boltzmann equation simplified by a model collision integral is solved by means of finite-difference approximations with the discrete ordinate method. The physical space is transformed by a general grid generation technique and the velocity space is transformed to a polar coordinate system. A numerical code is developed which can be applied to any two-dimensional passage of complicated geometry for the flow regimes from free-molecular to slip. Numerical values of flow quantities can be calculated for the entire physical space including both inside the nozzle and in the outside plume. Predictions are made for the case of parallel slots and compared with existing literature data. Also, results for the cases of convergent or divergent slots and two-dimensional nozzles with arbitrary curvature at arbitrary knudsen number are presented.

Testing holography using lattice super-Yang-Mills theory on a 2-torus

NASA Astrophysics Data System (ADS)

Catterall, Simon; Jha, Raghav G.; Schaich, David; Wiseman, Toby

2018-04-01

We consider maximally supersymmetric SU (N ) Yang-Mills theory in Euclidean signature compactified on a flat two-dimensional torus with antiperiodic ("thermal") fermion boundary conditions imposed on one cycle. At large N , holography predicts that this theory describes certain black hole solutions in type IIA and IIB supergravity, and we use lattice gauge theory to test this. Unlike the one-dimensional quantum mechanics case where there is only the dimensionless temperature to vary, here we emphasize there are two more parameters which determine the shape of the flat torus. While a rectangular Euclidean torus yields a thermal interpretation, allowing for skewed tori modifies the holographic dual black hole predictions and results in another direction to test holography. Our lattice calculations are based on a supersymmetric formulation naturally adapted to a particular skewing. Using this we perform simulations up to N =16 with several lattice spacings for both skewed and rectangular tori. We observe the two expected black hole phases with their predicted behavior, with a transition between them that is consistent with the gravity prediction based on the Gregory-Laflamme transition.

Numerical applications of the advective-diffusive codes for the inner magnetosphere

NASA Astrophysics Data System (ADS)

Aseev, N. A.; Shprits, Y. Y.; Drozdov, A. Y.; Kellerman, A. C.

2016-11-01

In this study we present analytical solutions for convection and diffusion equations. We gather here the analytical solutions for the one-dimensional convection equation, the two-dimensional convection problem, and the one- and two-dimensional diffusion equations. Using obtained analytical solutions, we test the four-dimensional Versatile Electron Radiation Belt code (the VERB-4D code), which solves the modified Fokker-Planck equation with additional convection terms. The ninth-order upwind numerical scheme for the one-dimensional convection equation shows much more accurate results than the results obtained with the third-order scheme. The universal limiter eliminates unphysical oscillations generated by high-order linear upwind schemes. Decrease in the space step leads to convergence of a numerical solution of the two-dimensional diffusion equation with mixed terms to the analytical solution. We compare the results of the third- and ninth-order schemes applied to magnetospheric convection modeling. The results show significant differences in electron fluxes near geostationary orbit when different numerical schemes are used.

Strong collective attraction in colloidal clusters on a liquid-air interface.

PubMed

Pergamenshchik, V M

2009-01-01

It is shown that in a cluster of many colloids, trapped at a liquid-air interface, the well-known vertical-force-induced pairwise logarithmic attraction changes to a strongly enhanced power-law attraction. In large two-dimensional clusters, the attraction energy scales as the inverse square of the distance between colloids. The enhancement is given by the ratio eta = (square of the capillary length) / (interface surface area per colloid) and can be as large as 10;{5} . This explains why a very small vertical force on colloids, which is too weak to bring two of them together, can stabilize many-body structures on a liquid-air interface. The profile of a cluster is shown to consist of a large slow collective envelope modulated by a fast low-amplitude perturbation due to individual colloids. A closed equation for the slow envelope, which incorporates an arbitrary power-law repulsion between colloids, is derived. For example, this equation is solved for a large circular cluster with the hard-core colloid repulsion. It is suggested that the predicted effect is responsible for mysterious stabilization of colloidal structures observed in experiments on a surface of isotropic liquid and nematic liquid crystal.

Surface Diffusion in Systems of Interacting Brownian Particles

NASA Astrophysics Data System (ADS)

Mazroui, M'hammed; Boughaleb, Yahia

The paper reviews recent results on diffusive phenomena in two-dimensional periodic potential. Specifically, static and dynamic properties are investigated by calculating different correlation functions. Diffusion process is first studied for one-dimensional system by using the Fokker-Planck equation which is solved numerically by the matrix continued fraction method in the case of bistable potential. The transition from hopping to liquid-like diffusion induced by variation of some parameters is discussed. This study will therefore serve to demonstrate the influence of this form of potential. Further, an analytical approximation for the dc-conductivity is derived for a wide damping range in the framework of the Linear Response Theory. On the basis of this expression, calculations of the ac conductivity of two-dimensional system with Frenkel-Kontorova pair interaction in the intermediate friction regime is performed by using the continued fraction expansion method. The dc-conductivity expression is used to determine the rest of the development. By varying the density of mobile ions we discuss commensurability effects. To get information about the diffusion mechanism, the full width at half maximum λω(q), of the quasi-elastic line of the dynamical structure factor S(q,ω) is computed. The calculations are extended up to large values of q covering several Brillouin zones. The analysis of λω(q) with different parameters shows that the most probable diffusion process in good two-dimensional superionic conductors consists of a competition between a back correlated hopping in one direction and forward correlated hopping in addition to liquid-like motions in the other direction.

Gas sensors boosted by two-dimensional h-BN enabled transfer on thin substrate foils: towards wearable and portable applications.

PubMed

Ayari, Taha; Bishop, Chris; Jordan, Matthew B; Sundaram, Suresh; Li, Xin; Alam, Saiful; ElGmili, Youssef; Patriarche, Gilles; Voss, Paul L; Salvestrini, Jean Paul; Ougazzaden, Abdallah

2017-11-09

The transfer of GaN based gas sensors to foreign substrates provides a pathway to enhance sensor performance, lower the cost and extend the applications to wearable, mobile or disposable systems. The main keys to unlocking this pathway is to grow and fabricate the sensors on large h-BN surface and to transfer them to the flexible substrate without any degradation of the performances. In this work, we develop a new generation of AlGaN/GaN gas sensors with boosted performances on a low cost flexible substrate. We fabricate 2-inch wafer scale AlGaN/GaN gas sensors on sacrificial two-dimensional (2D) nano-layered h-BN without any delamination or cracks and subsequently transfer sensors to an acrylic surface on metallic foil. This technique results in a modification of relevant device properties, leading to a doubling of the sensitivity to NO 2 gas and a response time that is more than 6 times faster than before transfer. This new approach for GaN-based sensor design opens new avenues for sensor improvement via transfer to more suitable substrates, and is promising for next-generation wearable and portable opto-electronic devices.

Development of optimal models of porous media by combining static and dynamic data: the permeability and porosity distributions.

PubMed

Hamzehpour, Hossein; Rasaei, M Reza; Sahimi, Muhammad

2007-05-01

We describe a method for the development of the optimal spatial distributions of the porosity phi and permeability k of a large-scale porous medium. The optimal distributions are constrained by static and dynamic data. The static data that we utilize are limited data for phi and k, which the method honors in the optimal model and utilizes their correlation functions in the optimization process. The dynamic data include the first-arrival (FA) times, at a number of receivers, of seismic waves that have propagated in the porous medium, and the time-dependent production rates of a fluid that flows in the medium. The method combines the simulated-annealing method with a simulator that solves numerically the three-dimensional (3D) acoustic wave equation and computes the FA times, and a second simulator that solves the 3D governing equation for the fluid's pressure as a function of time. To our knowledge, this is the first time that an optimization method has been developed to determine simultaneously the global minima of two distinct total energy functions. As a stringent test of the method's accuracy, we solve for flow of two immiscible fluids in the same porous medium, without using any data for the two-phase flow problem in the optimization process. We show that the optimal model, in addition to honoring the data, also yields accurate spatial distributions of phi and k, as well as providing accurate quantitative predictions for the single- and two-phase flow problems. The efficiency of the computations is discussed in detail.

Hyperspectral Super-Resolution of Locally Low Rank Images From Complementary Multisource Data.

PubMed

Veganzones, Miguel A; Simoes, Miguel; Licciardi, Giorgio; Yokoya, Naoto; Bioucas-Dias, Jose M; Chanussot, Jocelyn

2016-01-01

Remote sensing hyperspectral images (HSIs) are quite often low rank, in the sense that the data belong to a low dimensional subspace/manifold. This has been recently exploited for the fusion of low spatial resolution HSI with high spatial resolution multispectral images in order to obtain super-resolution HSI. Most approaches adopt an unmixing or a matrix factorization perspective. The derived methods have led to state-of-the-art results when the spectral information lies in a low-dimensional subspace/manifold. However, if the subspace/manifold dimensionality spanned by the complete data set is large, i.e., larger than the number of multispectral bands, the performance of these methods mainly decreases because the underlying sparse regression problem is severely ill-posed. In this paper, we propose a local approach to cope with this difficulty. Fundamentally, we exploit the fact that real world HSIs are locally low rank, that is, pixels acquired from a given spatial neighborhood span a very low-dimensional subspace/manifold, i.e., lower or equal than the number of multispectral bands. Thus, we propose to partition the image into patches and solve the data fusion problem independently for each patch. This way, in each patch the subspace/manifold dimensionality is low enough, such that the problem is not ill-posed anymore. We propose two alternative approaches to define the hyperspectral super-resolution through local dictionary learning using endmember induction algorithms. We also explore two alternatives to define the local regions, using sliding windows and binary partition trees. The effectiveness of the proposed approaches is illustrated with synthetic and semi real data.

Efficient statistically accurate algorithms for the Fokker-Planck equation in large dimensions

NASA Astrophysics Data System (ADS)

Chen, Nan; Majda, Andrew J.

2018-02-01

Solving the Fokker-Planck equation for high-dimensional complex turbulent dynamical systems is an important and practical issue. However, most traditional methods suffer from the curse of dimensionality and have difficulties in capturing the fat tailed highly intermittent probability density functions (PDFs) of complex systems in turbulence, neuroscience and excitable media. In this article, efficient statistically accurate algorithms are developed for solving both the transient and the equilibrium solutions of Fokker-Planck equations associated with high-dimensional nonlinear turbulent dynamical systems with conditional Gaussian structures. The algorithms involve a hybrid strategy that requires only a small number of ensembles. Here, a conditional Gaussian mixture in a high-dimensional subspace via an extremely efficient parametric method is combined with a judicious non-parametric Gaussian kernel density estimation in the remaining low-dimensional subspace. Particularly, the parametric method provides closed analytical formulae for determining the conditional Gaussian distributions in the high-dimensional subspace and is therefore computationally efficient and accurate. The full non-Gaussian PDF of the system is then given by a Gaussian mixture. Different from traditional particle methods, each conditional Gaussian distribution here covers a significant portion of the high-dimensional PDF. Therefore a small number of ensembles is sufficient to recover the full PDF, which overcomes the curse of dimensionality. Notably, the mixture distribution has significant skill in capturing the transient behavior with fat tails of the high-dimensional non-Gaussian PDFs, and this facilitates the algorithms in accurately describing the intermittency and extreme events in complex turbulent systems. It is shown in a stringent set of test problems that the method only requires an order of O (100) ensembles to successfully recover the highly non-Gaussian transient PDFs in up to 6 dimensions with only small errors.

B =5 Skyrmion as a two-cluster system

NASA Astrophysics Data System (ADS)

Gudnason, Sven Bjarke; Halcrow, Chris

2018-06-01

The classical B =5 Skyrmion can be approximated by a two-cluster system in which a B =1 Skyrmion is attached to a core B =4 Skyrmion. We quantize this system, allowing the B =1 to freely orbit the core. The configuration space is 11 dimensional but simplifies significantly after factoring out the overall spin and isospin degrees of freedom. We exactly solve the free quantum problem and then include an interaction potential between the Skyrmions numerically. The resulting energy spectrum is compared to the corresponding nuclei—the helium-5/lithium-5 isodoublet. We find approximate parity doubling not seen in the experimental data. In addition, we fail to obtain the correct ground-state spin. The framework laid out for this two-cluster system can readily be modified for other clusters and in particular for other B =4 n +1 nuclei, of which B =5 is the simplest example.

Scaling Property of Period-n-Tupling Sequences in One-Dimensional Mappings

NASA Astrophysics Data System (ADS)

Zeng, Wan-Zhen; Hao, Bai-Lin; Wang, Guang-Rui; Chen, Shi-Gang

1984-05-01

We calculated the universal scaling function g(x) and the scaling factor α as well as the convergence rate δ for periodtripling, -quadrapling and-quintupling sequences of RL, RL^2, RLR^2, RL2 R and RL^3 types. The superstable periods are closely connected to a set of polynomial P_n defined recursively by the original mapping. Some notable properties of these polynomials are studied. Several approaches to solving the renormalization group equation and estimating the scaling factors are suggested.

Abelian tensor hierarchy in 4D N = 1 conformal supergravity

NASA Astrophysics Data System (ADS)

Aoki, Shuntaro; Higaki, Tetsutaro; Yamada, Yusuke; Yokokura, Ryo

2016-09-01

We consider Abelian tensor hierarchy in four-dimensional N = 1 supergravity in the conformal superspace formalism, where the so-called covariant approach is used to antisymmetric tensor fields. We introduce p-form gauge superfields as superforms in the conformal superspace. We solve the Bianchi identities under the constraints for the super-forms. As a result, each of form fields is expressed by a single gauge invariant superfield. We also show the relation between the superspace formalism and the superconformal tensor calculus.

Anisotropic modulus stabilisation: strings at LHC scales with micron-sized extra dimensions

NASA Astrophysics Data System (ADS)

Cicoli, M.; Burgess, C. P.; Quevedo, F.

2011-10-01

We construct flux-stabilised Type IIB string compactifications whose extra dimensions have very different sizes, and use these to describe several types of vacua with a TeV string scale. Because we can access regimes where two dimensions are hierarchically larger than the other four, we find examples where two dimensions are micron-sized while the other four are at the weak scale in addition to more standard examples with all six extra dimensions equally large. Besides providing ultraviolet completeness, the phenomenology of these models is richer than vanilla large-dimensional models in several generic ways: ( i) they are supersymmetric, with supersymmetry broken at sub-eV scales in the bulk but only nonlinearly realised in the Standard Model sector, leading to no MSSM superpartners for ordinary particles and many more bulk missing-energy channels, as in supersymmetric large extra dimensions (SLED); ( ii) small cycles in the more complicated extra-dimensional geometry allow some KK states to reside at TeV scales even if all six extra dimensions are nominally much larger; ( iii) a rich spectrum of string and KK states at TeV scales; and ( iv) an equally rich spectrum of very light moduli exist having unusually small (but technically natural) masses, with potentially interesting implications for cosmology and astrophysics that nonetheless evade new-force constraints. The hierarchy problem is solved in these models because the extra-dimensional volume is naturally stabilised at exponentially large values: the extra dimensions are Calabi-Yau geometries with a 4D K3 or T 4-fibration over a 2D base, with moduli stabilised within the well-established LARGE-Volume scenario. The new technical step is the use of poly-instanton corrections to the superpotential (which, unlike for simpler models, are likely to be present on K3 or T 4-fibered Calabi-Yau compactifications) to obtain a large hierarchy between the sizes of different dimensions. For several scenarios we identify the low-energy spectrum and briefly discuss some of their astrophysical, cosmological and phenomenological implications.

Detector-Response Correction of Two-Dimensional γ -Ray Spectra from Neutron Capture

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rusev, G.; Jandel, M.; Arnold, C. W.

2015-05-28

The neutron-capture reaction produces a large variety of γ-ray cascades with different γ-ray multiplicities. A measured spectral distribution of these cascades for each γ-ray multiplicity is of importance to applications and studies of γ-ray statistical properties. The DANCE array, a 4π ball of 160 BaF 2 detectors, is an ideal tool for measurement of neutron-capture γ-rays. The high granularity of DANCE enables measurements of high-multiplicity γ-ray cascades. The measured two-dimensional spectra (γ-ray energy, γ-ray multiplicity) have to be corrected for the DANCE detector response in order to compare them with predictions of the statistical model or use them in applications.more » The detector-response correction problem becomes more difficult for a 4π detection system than for a single detector. A trial and error approach and an iterative decomposition of γ-ray multiplets, have been successfully applied to the detector-response correction. As a result, applications of the decomposition methods are discussed for two-dimensional γ-ray spectra measured at DANCE from γ-ray sources and from the 10B(n, γ) and 113Cd(n, γ) reactions.« less

Simplified charge separation energetics in a two-dimensional model for polymer-based photovoltaic cells.

PubMed

Sylvester-Hvid, Kristian O; Ratner, Mark A

2005-01-13

An extension of our two-dimensional working model for photovoltaic behavior in binary polymer and/or molecular photoactive blends is presented. The objective is to provide a more-realistic description of the charge generation and charge separation processes in the blend system. This is achieved by assigning an energy to each of the possible occupation states, describing the system according to a simple energy model for exciton and geminate electron-hole pair configurations. The energy model takes as primary input the ionization potential, electron affinity and optical gap of the components of the blend. The underlying photovoltaic model considers a nanoscopic subvolume of a photoactive blend and represents its p- and n-type domain morphology, in terms of a two-dimensional network of donor and acceptor sites. The nearest-neighbor hopping of charge carriers in the illuminated system is described in terms of transitions between different occupation states. The equations governing the dynamics of these states are cast into a linear master equation, which can be solved for arbitrary two-dimensional donor-acceptor networks, assuming stationary conditions. The implications of incorporating the energy model into the photovoltaic model are illustrated by simulations of the short circuit current versus thickness of the photoactive blend layer for different choices of energy parameters and donor-acceptor topology. The results suggest the existence of an optimal thickness of the photoactive film in bulk heterojunctions, based on kinetic considerations alone, and that this optimal thickness is very sensitive to the choice of energy parameters. The results also indicate space-charge limiting effects for interpenetrating donor-acceptor networks with characteristic domain sizes in the nanometer range and high driving force for the photoinduced electron transfer across the donor-acceptor internal interface.

Anion vacancy-mediated ferromagnetism in atomic-thick Ni3N nanosheets

NASA Astrophysics Data System (ADS)

Xia, Baorui; Wang, Tongtong; Chi, Xiao; Yu, Xiaojiang; Liu, Peitao; Zhang, Jingyan; Xi, Shibo; Du, Yonghua; Gao, Daqiang

2017-12-01

Realizing spin and electronic behavior of two-dimensional ultrathin nanosheets is significant to construct next generation nanoelectronics. Here, atomic-thick Ni3N nanosheets with clear room temperature ferromagnetism and high saturation magnetization (1.2 emu/g) are reported. X-ray magnetic circular dichroism and first-principles calculation results give the evidence that the observed intrinsic ferromagnetism in Ni3N nanosheets originates from the surface N-deficiency, where alignments of localized large magnetic moments of Ni in the vicinity of the N defect can be aligned parallel to activate macroscopic ferromagnetism. These ultrathin Ni3N nanosheets show great potential application in next-generation electron devices.

Magnetic Fluxtube Tunneling

NASA Technical Reports Server (NTRS)

Dahlburg, Russell B.; Antiochos,, Spiro K.; Norton, D.

1996-01-01

We present numerical simulations of the collision and subsequent interaction of two initially orthogonal, twisted, force free field magnetic fluxtubes. The simulations were carried out using a new three dimensional explicit parallelized Fourier collocation algorithm for solving the viscoresistive equations of compressible magnetohydrodynamics. It is found that, under a wide range of conditions, the fluxtubes can 'tunnel' through each other. Two key conditions must be satisfied for tunneling to occur: the magnetic field must be highly twisted with a field line pitch much greater than 1, and the magnetic Lundquist number must be somewhat large, greater than or equal to 2880. This tunneling behavior has not been seen previously in studies of either vortex tube or magnetic fluxtube interactions. An examination of magnetic field lines shows that tunneling is due to a double reconnection mechanism. Initially orthogonal field lines reconnect at two specific locations, exchange interacting sections and 'pass' through each other. The implications of these results for solar and space plasmas are discussed.

RECONSTRUCTING THREE-DIMENSIONAL JET GEOMETRY FROM TWO-DIMENSIONAL IMAGES

NASA Astrophysics Data System (ADS)

Avachat, Sayali; Perlman, Eric S.; Li, Kunyang; Kosak, Katie

2018-01-01

Relativistic jets in AGN are one of the most interesting and complex structures in the Universe. Some of the jets can be spread over hundreds of kilo parsecs from the central engine and display various bends, knots and hotspots. Observations of the jets can prove helpful in understanding the emission and particle acceleration processes from sub-arcsec to kilo parsec scales and the role of magnetic field in it. The M87 jet has many bright knots as well as regions of small and large bends. We attempt to model the jet geometry using the observed 2 dimensional structure. The radio and optical images of the jet show evidence of presence of helical magnetic field throughout. Using the observed structure in the sky frame, our goal is to gain an insight into the intrinsic 3 dimensional geometry in the jets frame. The structure of the bends in jet's frame may be quite different than what we see in the sky frame. The knowledge of the intrinsic structure will be helpful in understanding the appearance of the magnetic field and hence polarization morphology. To achieve this, we are using numerical methods to solve the non-linear equations based on the jet geometry. We are using the Log Likelihood method and algorithm based on Markov Chain Monte Carlo (MCMC) simulations.

A new method for solving the quantum hydrodynamic equations of motion: application to two-dimensional reactive scattering.

PubMed

Pauler, Denise K; Kendrick, Brian K

2004-01-08

The de Broglie-Bohm hydrodynamic equations of motion are solved using a meshless method based on a moving least squares approach and an arbitrary Lagrangian-Eulerian frame of reference. A regridding algorithm adds and deletes computational points as needed in order to maintain a uniform interparticle spacing, and unitary time evolution is obtained by propagating the wave packet using averaged fields. The numerical instabilities associated with the formation of nodes in the reflected portion of the wave packet are avoided by adding artificial viscosity to the equations of motion. The methodology is applied to a two-dimensional model collinear reaction with an activation barrier. Reaction probabilities are computed as a function of both time and energy, and are in excellent agreement with those based on the quantum trajectory method. (c) 2004 American Institute of Physics

Quantum Linear System Algorithm for Dense Matrices.

PubMed

Wossnig, Leonard; Zhao, Zhikuan; Prakash, Anupam

2018-02-02

Solving linear systems of equations is a frequently encountered problem in machine learning and optimization. Given a matrix A and a vector b the task is to find the vector x such that Ax=b. We describe a quantum algorithm that achieves a sparsity-independent runtime scaling of O(κ^{2}sqrt[n]polylog(n)/ε) for an n×n dimensional A with bounded spectral norm, where κ denotes the condition number of A, and ε is the desired precision parameter. This amounts to a polynomial improvement over known quantum linear system algorithms when applied to dense matrices, and poses a new state of the art for solving dense linear systems on a quantum computer. Furthermore, an exponential improvement is achievable if the rank of A is polylogarithmic in the matrix dimension. Our algorithm is built upon a singular value estimation subroutine, which makes use of a memory architecture that allows for efficient preparation of quantum states that correspond to the rows of A and the vector of Euclidean norms of the rows of A.

Support Vector Machines Trained with Evolutionary Algorithms Employing Kernel Adatron for Large Scale Classification of Protein Structures.

PubMed

Arana-Daniel, Nancy; Gallegos, Alberto A; López-Franco, Carlos; Alanís, Alma Y; Morales, Jacob; López-Franco, Adriana

2016-01-01

With the increasing power of computers, the amount of data that can be processed in small periods of time has grown exponentially, as has the importance of classifying large-scale data efficiently. Support vector machines have shown good results classifying large amounts of high-dimensional data, such as data generated by protein structure prediction, spam recognition, medical diagnosis, optical character recognition and text classification, etc. Most state of the art approaches for large-scale learning use traditional optimization methods, such as quadratic programming or gradient descent, which makes the use of evolutionary algorithms for training support vector machines an area to be explored. The present paper proposes an approach that is simple to implement based on evolutionary algorithms and Kernel-Adatron for solving large-scale classification problems, focusing on protein structure prediction. The functional properties of proteins depend upon their three-dimensional structures. Knowing the structures of proteins is crucial for biology and can lead to improvements in areas such as medicine, agriculture and biofuels.

An efficient top-down approach for the fabrication of large-aspect-ratio g-C3N4 nanosheets with enhanced photocatalytic activities.

PubMed

Tong, Jincheng; Zhang, Li; Li, Fei; Li, Mingming; Cao, Shaokui

2015-09-28

Graphitic carbon nitride (g-C3N4) nanosheets with large aspect ratios were fabricated from bulk g-C3N4 through an efficient top-down approach of moderate disintegration-exfoliation using diluted H2SO4 as an "efficient knife". By prior disintegration in a diluted H2SO4 solution, the exfoliation of bulk g-C3N4 was effectively accelerated. The as-prepared g-C3N4 nanosheets possess a two-dimensional (2D) thin-layer structure with seven-atom thickness, a large lateral size of about 1 μm, and a high specific surface area of 80 m(2) g(-1). Compared with the bulk precursor, the g-C3N4 nanosheets showed much higher efficiency of photogenerated charge transfer and separation, and consequently exhibited enhanced photocatalytic activity toward hydrogen evolution and pollutant decomposition under both full-sunlight and visible-light irradiation.

Two dimensional fluid simulation in capacitively coupled silane discharges

NASA Astrophysics Data System (ADS)

Song, Yuan-Hong; Liu, Xiang-Mei; Wang, Yan; Wang, You-Nian

2011-10-01

A two-dimensional (2D) self-consistent fluid model is developed to describe the formation, subsequent growth, transport and charging mechanisms of nanoparticles in a capacitively coupled silane plasma. In this discharge process, large anions are produced by a series of chemical reactions of anions with silane molecules, while the lower limit of the initial nanoparticles are taken as large anions to directly link the coagulation module with the nucleation module. The influences of source parameters on the electron density, electron temperature, nanoparticle uniformity, and deposition rate, are carefully studied. Moreover, the behavior of silicon plasma mixed with SiH4, N2 and O2 in a pulse modulated capacitively coupled plasma has been also investigated. Results showed a strong dependence of the electron density and electron temperature on the duty cycle and the modulated frequency. Supported by NSFC (No.10775025 and No. 10805008), INSTSP (Grant No: 2011ZX02403-001), and PNCETU (NCET-08-0073).

Excitation of ship waves by a submerged object: New solution to the classical problem

NASA Astrophysics Data System (ADS)

Arzhannikov, A. V.; Kotelnikov, I. A.

2016-08-01

We have proposed a new method for solving the problem of ship waves excited on the surface of a nonviscous liquid by a submerged object that moves at a variable speed. As a first application of this method, we have obtained a new solution to the classic problem of ship waves generated by a submerged ball that moves rectilinearly with constant velocity parallel to the equilibrium surface of the liquid. For this example, we have derived asymptotic expressions describing the vertical displacement of the liquid surface in the limit of small and large values of the Froude number. The exact solution is presented in the form of two terms, each of which is reduced to one-dimensional integrals. One term describes the "Bernoulli hump" and another term the "Kelvin wedge." As a second example, we considered vertical oscillation of the submerged ball. In this case, the solution leads to the calculation of one-dimensional integral and describes surface waves propagating from the epicenter above the ball.

Excitation of ship waves by a submerged object: New solution to the classical problem.

PubMed

Arzhannikov, A V; Kotelnikov, I A

2016-08-01

We have proposed a new method for solving the problem of ship waves excited on the surface of a nonviscous liquid by a submerged object that moves at a variable speed. As a first application of this method, we have obtained a new solution to the classic problem of ship waves generated by a submerged ball that moves rectilinearly with constant velocity parallel to the equilibrium surface of the liquid. For this example, we have derived asymptotic expressions describing the vertical displacement of the liquid surface in the limit of small and large values of the Froude number. The exact solution is presented in the form of two terms, each of which is reduced to one-dimensional integrals. One term describes the "Bernoulli hump" and another term the "Kelvin wedge." As a second example, we considered vertical oscillation of the submerged ball. In this case, the solution leads to the calculation of one-dimensional integral and describes surface waves propagating from the epicenter above the ball.

Research of beam smoothing technologies using CPP, SSD, and PS

NASA Astrophysics Data System (ADS)

Zhang, Rui; Su, Jingqin; Hu, Dongxia; Li, Ping; Yuan, Haoyu; Zhou, Wei; Yuan, Qiang; Wang, Yuancheng; Tian, Xiaocheng; Xu, Dangpeng; Dong, Jun; Zhu, Qihua

2015-02-01

Precise physical experiments place strict requirements on target illumination uniformity in Inertial Confinement Fusion. To obtain a smoother focal spot and suppress transverse SBS in large aperture optics, Multi-FM smoothing by spectral dispersion (SSD) was studied combined with continuous phase plate (CPP) and polarization smoothing (PS). New ways of PS are being developed to improve the laser irradiation uniformity and solve LPI problems in indirect-drive laser fusion. The near field and far field properties of beams using polarization smoothing were studied and compared, including birefringent wedge and polarization control array. As more parameters can be manipulated in a combined beam smoothing scheme, quad beam smoothing was also studies. Simulation results indicate through adjusting dispersion directions of one-dimensional (1-D) SSD beams in a quad, two-dimensional SSD can be obtained. Experiments have been done on SG-III laser facility using CPP and Multi-FM SSD. The research provides some theoretical and experimental basis for the application of CPP, SSD and PS on high-power laser facilities.

Fast Multipole Methods for Three-Dimensional N-body Problems

NASA Technical Reports Server (NTRS)

Koumoutsakos, P.

1995-01-01

We are developing computational tools for the simulations of three-dimensional flows past bodies undergoing arbitrary motions. High resolution viscous vortex methods have been developed that allow for extended simulations of two-dimensional configurations such as vortex generators. Our objective is to extend this methodology to three dimensions and develop a robust computational scheme for the simulation of such flows. A fundamental issue in the use of vortex methods is the ability of employing efficiently large numbers of computational elements to resolve the large range of scales that exist in complex flows. The traditional cost of the method scales as Omicron (N(sup 2)) as the N computational elements/particles induce velocities at each other, making the method unacceptable for simulations involving more than a few tens of thousands of particles. In the last decade fast methods have been developed that have operation counts of Omicron (N log N) or Omicron (N) (referred to as BH and GR respectively) depending on the details of the algorithm. These methods are based on the observation that the effect of a cluster of particles at a certain distance may be approximated by a finite series expansion. In order to exploit this observation we need to decompose the element population spatially into clusters of particles and build a hierarchy of clusters (a tree data structure) - smaller neighboring clusters combine to form a cluster of the next size up in the hierarchy and so on. This hierarchy of clusters allows one to determine efficiently when the approximation is valid. This algorithm is an N-body solver that appears in many fields of engineering and science. Some examples of its diverse use are in astrophysics, molecular dynamics, micro-magnetics, boundary element simulations of electromagnetic problems, and computer animation. More recently these N-body solvers have been implemented and applied in simulations involving vortex methods. Koumoutsakos and Leonard (1995) implemented the GR scheme in two dimensions for vector computer architectures allowing for simulations of bluff body flows using millions of particles. Winckelmans presented three-dimensional, viscous simulations of interacting vortex rings, using vortons and an implementation of a BH scheme for parallel computer architectures. Bhatt presented a vortex filament method to perform inviscid vortex ring interactions, with an alternative implementation of a BH scheme for a Connection Machine parallel computer architecture.

The Use of Sparse Direct Solver in Vector Finite Element Modeling for Calculating Two Dimensional (2-D) Magnetotelluric Responses in Transverse Electric (TE) Mode

NASA Astrophysics Data System (ADS)

Yihaa Roodhiyah, Lisa’; Tjong, Tiffany; Nurhasan; Sutarno, D.

2018-04-01

The late research, linear matrices of vector finite element in two dimensional(2-D) magnetotelluric (MT) responses modeling was solved by non-sparse direct solver in TE mode. Nevertheless, there is some weakness which have to be improved especially accuracy in the low frequency (10-3 Hz-10-5 Hz) which is not achieved yet and high cost computation in dense mesh. In this work, the solver which is used is sparse direct solver instead of non-sparse direct solverto overcome the weaknesses of solving linear matrices of vector finite element metod using non-sparse direct solver. Sparse direct solver will be advantageous in solving linear matrices of vector finite element method because of the matrix properties which is symmetrical and sparse. The validation of sparse direct solver in solving linear matrices of vector finite element has been done for a homogen half-space model and vertical contact model by analytical solution. Thevalidation result of sparse direct solver in solving linear matrices of vector finite element shows that sparse direct solver is more stable than non-sparse direct solver in computing linear problem of vector finite element method especially in low frequency. In the end, the accuracy of 2D MT responses modelling in low frequency (10-3 Hz-10-5 Hz) has been reached out under the efficient allocation memory of array and less computational time consuming.

On the Large R-charge Expansion in N=2 Superconformal Field Theories

NASA Astrophysics Data System (ADS)

Hellerman, Simeon; Maeda, Shunsuke

2017-12-01

In this note we study two point functions of Coulomb branch chiral ring elements with large R-charge, in quantum field theories with N=2 superconformal symmetry in four spacetime dimensions. Focusing on the case of one-dimensional Coulomb branch, we use the effective-field-theoretic methods of [1], to estimate the two-point correlation function Y_n≡ {|x-y|}^{2n{Δ}_O}< {(O(x))}^n{(\\overlineO(y))}^n> in the limit where the operator insertion O^n has large total R-charge J=n{Δ}_O . We show that Y_n has a nontrivial but universal asymptotic expansion at large J , of the form Y_n from "Euclid Math One" (0x3D)J!{(|{N}_O|/2π)}^{2J}J^{α }{\\tildeY}_n, where {\\tildeY}_n approaches a constant as n → ∞, and {N}_O is an n-independent constant describing on the normalization of the operator relative to the effective Abelian gauge coupling. The exponent α is a positive number proportional to the difference between the a-anomaly coefficient of the underlying CFT and that of the effective theory of the Coulomb branch. For Lagrangian SCFT, we check our predictions for the logarithm B_n= log (Y_n) , up to and including order log J against exact results from supersymmetric localization [2-5]. In the case of N=4 we find precise agreement and in the case N=2 we find reasonably good numerical agreement at J˜eq 60 using the no-instanton approximation to the S 4 partition function. We also give predictions for the growth of two-point functions in all rank-one SCFT in the classification of [6-9]. In this way, we show the large- R-charge expansion serves as a bridge from the world of unbroken superconformal symmetry, OPE data, and bootstraps, to the world of the low-energy dynamics of the moduli space of vacua.

Neural Network Solves "Traveling-Salesman" Problem

NASA Technical Reports Server (NTRS)

Thakoor, Anilkumar P.; Moopenn, Alexander W.

1990-01-01

Experimental electronic neural network solves "traveling-salesman" problem. Plans round trip of minimum distance among N cities, visiting every city once and only once (without backtracking). This problem is paradigm of many problems of global optimization (e.g., routing or allocation of resources) occuring in industry, business, and government. Applied to large number of cities (or resources), circuits of this kind expected to solve problem faster and more cheaply.

On the solution of the generalized wave and generalized sine-Gordon equations

NASA Technical Reports Server (NTRS)

Ablowitz, M. J.; Beals, R.; Tenenblat, K.

1986-01-01

The generalized wave equation and generalized sine-Gordon equations are known to be natural multidimensional differential geometric generalizations of the classical two-dimensional versions. In this paper, a system of linear differential equations is associated with these equations, and it is shown how the direct and inverse problems can be solved for appropriately decaying data on suitable lines. An initial-boundary value problem is solved for these equations.

Numerical study of radiometric forces via the direct solution of the Boltzmann kinetic equation

NASA Astrophysics Data System (ADS)

Anikin, Yu. A.

2011-07-01

The two-dimensional rarefied gas motion in a Crookes radiometer and the resulting radiometric forces are studied by numerically solving the Boltzmann kinetic equation. The collision integral is directly evaluated using a projection method, and second-order accurate TVD schemes are used to solve the advection equation. The radiometric forces are found as functions of the Knudsen number and the temperatures, and their spatial distribution is analyzed.

Personal authentication through dorsal hand vein patterns

NASA Astrophysics Data System (ADS)

Hsu, Chih-Bin; Hao, Shu-Sheng; Lee, Jen-Chun

2011-08-01

Biometric identification is an emerging technology that can solve security problems in our networked society. A reliable and robust personal verification approach using dorsal hand vein patterns is proposed in this paper. The characteristic of the approach needs less computational and memory requirements and has a higher recognition accuracy. In our work, the near-infrared charge-coupled device (CCD) camera is adopted as an input device for capturing dorsal hand vein images, it has the advantages of the low-cost and noncontact imaging. In the proposed approach, two finger-peaks are automatically selected as the datum points to define the region of interest (ROI) in the dorsal hand vein images. The modified two-directional two-dimensional principal component analysis, which performs an alternate two-dimensional PCA (2DPCA) in the column direction of images in the 2DPCA subspace, is proposed to exploit the correlation of vein features inside the ROI between images. The major advantage of the proposed method is that it requires fewer coefficients for efficient dorsal hand vein image representation and recognition. The experimental results on our large dorsal hand vein database show that the presented schema achieves promising performance (false reject rate: 0.97% and false acceptance rate: 0.05%) and is feasible for dorsal hand vein recognition.

Three-dimensional nanostructure determination from a large diffraction data set recorded using scanning electron nanodiffraction

DOE PAGES

Meng, Yifei; Zuo, Jian -Min

2016-07-04

A diffraction-based technique is developed for the determination of three-dimensional nanostructures. The technique employs high-resolution and low-dose scanning electron nanodiffraction (SEND) to acquire three-dimensional diffraction patterns, with the help of a special sample holder for large-angle rotation. Grains are identified in three-dimensional space based on crystal orientation and on reconstructed dark-field images from the recorded diffraction patterns. Application to a nanocrystalline TiN thin film shows that the three-dimensional morphology of columnar TiN grains of tens of nanometres in diameter can be reconstructed using an algebraic iterative algorithm under specified prior conditions, together with their crystallographic orientations. The principles can bemore » extended to multiphase nanocrystalline materials as well. Furthermore, the tomographic SEND technique provides an effective and adaptive way of determining three-dimensional nanostructures.« less

A two-dimensional Zn coordination polymer with a three-dimensional supra-molecular architecture.

PubMed

Liu, Fuhong; Ding, Yan; Li, Qiuyu; Zhang, Liping

2017-10-01

The title compound, poly[bis-{μ 2 -4,4'-bis-[(1,2,4-triazol-1-yl)meth-yl]biphenyl-κ 2 N 4 : N 4' }bis-(nitrato-κ O )zinc(II)], [Zn(NO 3 ) 2 (C 18 H 16 N 6 ) 2 ] n , is a two-dimensional zinc coordination polymer constructed from 4,4'-bis-[(1 H -1,2,4-triazol-1-yl)meth-yl]-1,1'-biphenyl units. It was synthesized and characterized by elemental analysis and single-crystal X-ray diffraction. The Zn II cation is located on an inversion centre and is coordinated by two O atoms from two symmetry-related nitrate groups and four N atoms from four symmetry-related 4,4'-bis-[(1 H -1,2,4-triazol-1-yl)meth-yl]-1,1'-biphenyl ligands, forming a distorted octa-hedral {ZnN 4 O 2 } coordination geometry. The linear 4,4'-bis-[(1 H -1,2,4-triazol-1-yl)meth-yl]-1,1'-biphenyl ligand links two Zn II cations, generating two-dimensional layers parallel to the crystallographic (132) plane. The parallel layers are connected by C-H⋯O, C-H⋯N, C-H⋯π and π-π stacking inter-actions, resulting in a three-dimensional supra-molecular architecture.

Electroneutral models for dynamic Poisson-Nernst-Planck systems

NASA Astrophysics Data System (ADS)

Song, Zilong; Cao, Xiulei; Huang, Huaxiong

2018-01-01

The Poisson-Nernst-Planck (PNP) system is a standard model for describing ion transport. In many applications, e.g., ions in biological tissues, the presence of thin boundary layers poses both modeling and computational challenges. In this paper, we derive simplified electroneutral (EN) models where the thin boundary layers are replaced by effective boundary conditions. There are two major advantages of EN models. First, it is much cheaper to solve them numerically. Second, EN models are easier to deal with compared to the original PNP system; therefore, it would also be easier to derive macroscopic models for cellular structures using EN models. Even though the approach used here is applicable to higher-dimensional cases, this paper mainly focuses on the one-dimensional system, including the general multi-ion case. Using systematic asymptotic analysis, we derive a variety of effective boundary conditions directly applicable to the EN system for the bulk region. This EN system can be solved directly and efficiently without computing the solution in the boundary layer. The derivation is based on matched asymptotics, and the key idea is to bring back higher-order contributions into the effective boundary conditions. For Dirichlet boundary conditions, the higher-order terms can be neglected and the classical results (continuity of electrochemical potential) are recovered. For flux boundary conditions, higher-order terms account for the accumulation of ions in boundary layer and neglecting them leads to physically incorrect solutions. To validate the EN model, numerical computations are carried out for several examples. Our results show that solving the EN model is much more efficient than the original PNP system. Implemented with the Hodgkin-Huxley model, the computational time for solving the EN model is significantly reduced without sacrificing the accuracy of the solution due to the fact that it allows for relatively large mesh and time-step sizes.

Linear and nonlinear dynamic analysis by boundary element method. Ph.D. Thesis, 1986 Final Report

NASA Technical Reports Server (NTRS)

Ahmad, Shahid

1991-01-01

An advanced implementation of the direct boundary element method (BEM) applicable to free-vibration, periodic (steady-state) vibration and linear and nonlinear transient dynamic problems involving two and three-dimensional isotropic solids of arbitrary shape is presented. Interior, exterior, and half-space problems can all be solved by the present formulation. For the free-vibration analysis, a new real variable BEM formulation is presented which solves the free-vibration problem in the form of algebraic equations (formed from the static kernels) and needs only surface discretization. In the area of time-domain transient analysis, the BEM is well suited because it gives an implicit formulation. Although the integral formulations are elegant, because of the complexity of the formulation it has never been implemented in exact form. In the present work, linear and nonlinear time domain transient analysis for three-dimensional solids has been implemented in a general and complete manner. The formulation and implementation of the nonlinear, transient, dynamic analysis presented here is the first ever in the field of boundary element analysis. Almost all the existing formulation of BEM in dynamics use the constant variation of the variables in space and time which is very unrealistic for engineering problems and, in some cases, it leads to unacceptably inaccurate results. In the present work, linear and quadratic isoparametric boundary elements are used for discretization of geometry and functional variations in space. In addition, higher order variations in time are used. These methods of analysis are applicable to piecewise-homogeneous materials, such that not only problems of the layered media and the soil-structure interaction can be analyzed but also a large problem can be solved by the usual sub-structuring technique. The analyses have been incorporated in a versatile, general-purpose computer program. Some numerical problems are solved and, through comparisons with available analytical and numerical results, the stability and high accuracy of these dynamic analysis techniques are established.

Highly efficient supercapacitor electrode with two-dimensional tungsten disulfide and reduced graphene oxide hybrid nanosheets

NASA Astrophysics Data System (ADS)

Tu, Chao-Chi; Lin, Lu-Yin; Xiao, Bing-Chang; Chen, Yu-Shiang

2016-07-01

Two-dimensional (2D) nanostructures with their high surface area and large in-plane conductivity have been regarded as promising materials for supercapacitors (SCs). Tungsten disulfide (WS2) is highly suitable for charge accumulation with its abundant active sites in the interspacing between the 2D structures and the intraspacing of each atomic layer, as well as on the tungsten centers with the charges generated by the Faradaic reactions. This study proposes the preparation of well-constructed WS2/reduced graphene oxide (RGO) nanosheets using a simple molten salt process as the electroactive material for SCs, which presents a high specific capacitance (CF) of 2508.07 F g-1 at the scan rate of 1 mV s-1, because of the synergic effect of WS2 with its large charge-accumulating sites on the 2D planes and RGO with its highly enhanced conductivity and improved connections in the WS2 networks. The excellent cycling stability of 98.6% retention after 5000 cycles charge/discharge process and the Coulombic efficiency close to 100% for the entire measurement are also achieved for the WS2/RGO-based SC electrode. The results suggest the potential for the combination of the 2D metal sulfide and carbon materials as the charge storage material to solve the energy problems and attain a sustainable society.

Two-dimensional electron gas in monolayer InN quantum wells

DOE PAGES

Pan, Wei; Dimakis, Emmanouil; Wang, George T.; ...

2014-11-24

We report in this letter experimental results that confirm the two-dimensional nature of the electron systems in monolayer InN quantum wells embedded in GaN barriers. The electron density and mobility of the two-dimensional electron system (2DES) in these InN quantum wells are 5×10 15 cm -2 and 420 cm 2 /Vs, respectively. Moreover, the diagonal resistance of the 2DES shows virtually no temperature dependence in a wide temperature range, indicating the topological nature of the 2DES.

COSAL: A black-box compressible stability analysis code for transition prediction in three-dimensional boundary layers

NASA Technical Reports Server (NTRS)

Malik, M. R.

1982-01-01

A fast computer code COSAL for transition prediction in three dimensional boundary layers using compressible stability analysis is described. The compressible stability eigenvalue problem is solved using a finite difference method, and the code is a black box in the sense that no guess of the eigenvalue is required from the user. Several optimization procedures were incorporated into COSAL to calculate integrated growth rates (N factor) for transition correlation for swept and tapered laminar flow control wings using the well known e to the Nth power method. A user's guide to the program is provided.

A non-linear dimension reduction methodology for generating data-driven stochastic input models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ganapathysubramanian, Baskar; Zabaras, Nicholas

Stochastic analysis of random heterogeneous media (polycrystalline materials, porous media, functionally graded materials) provides information of significance only if realistic input models of the topology and property variations are used. This paper proposes a framework to construct such input stochastic models for the topology and thermal diffusivity variations in heterogeneous media using a data-driven strategy. Given a set of microstructure realizations (input samples) generated from given statistical information about the medium topology, the framework constructs a reduced-order stochastic representation of the thermal diffusivity. This problem of constructing a low-dimensional stochastic representation of property variations is analogous to the problem ofmore » manifold learning and parametric fitting of hyper-surfaces encountered in image processing and psychology. Denote by M the set of microstructures that satisfy the given experimental statistics. A non-linear dimension reduction strategy is utilized to map M to a low-dimensional region, A. We first show that M is a compact manifold embedded in a high-dimensional input space R{sup n}. An isometric mapping F from M to a low-dimensional, compact, connected set A is contained in R{sup d}(d<

A mediational model of self-esteem and social problem-solving in anorexia nervosa.

PubMed

Paterson, Gillian; Power, Kevin; Collin, Paula; Greirson, David; Yellowlees, Alex; Park, Katy

2011-01-01

Poor problem-solving and low self-esteem are frequently cited as significant factors in the development and maintenance of anorexia nervosa. The current study examines the multi-dimensional elements of these measures and postulates a model whereby self-esteem mediates the relationship between social problems-solving and anorexic pathology and considers the implications of this pathway. Fifty-five inpatients with a diagnosis of anorexia nervosa and 50 non-clinical controls completed three standardised multi-dimensional questionnaires pertaining to social problem-solving, self-esteem and eating pathology. Significant differences were yielded between clinical and non-clinical samples on all measures. Within the clinical group, elements of social problem-solving most significant to anorexic pathology were positive problem orientation, negative problem orientation and avoidance. Components of self-esteem most significant to anorexic pathology were eating, weight and shape concern but not eating restraint. The mediational model was upheld with social problem-solving impacting on anorexic pathology through the existence of low self-esteem. Problem orientation, that is, the cognitive processes of social problem-solving appear to be more significant than problem-solving methods in individuals with anorexia nervosa. Negative perceptions of eating, weight and shape appear to impact on low self-esteem but level of restriction does not. Finally, results indicate that self-esteem is a significant factor in the development and execution of positive or negative social problem-solving in individuals with anorexia nervosa by mediating the relationship between those two variables. Copyright © 2010 John Wiley & Sons, Ltd and Eating Disorders Association.

Direct and inverse problems of studying the properties of multilayer nanostructures based on a two-dimensional model of X-ray reflection and scattering

NASA Astrophysics Data System (ADS)

Khachaturov, R. V.

2014-06-01

A mathematical model of X-ray reflection and scattering by multilayered nanostructures in the quasi-optical approximation is proposed. X-ray propagation and the electric field distribution inside the multilayered structure are considered with allowance for refraction, which is taken into account via the second derivative with respect to the depth of the structure. This model is used to demonstrate the possibility of solving inverse problems in order to determine the characteristics of irregularities not only over the depth (as in the one-dimensional problem) but also over the length of the structure. An approximate combinatorial method for system decomposition and composition is proposed for solving the inverse problems.

The three-dimensional crystal structure of cholera toxin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Rong-Guang; Westbrook, M.L.; Nance, S.

1996-02-01

The clinical manifestations of cholera are largely attributable to the actions of a secreted hexameric AB{sub 5} enterotoxin (choleragen). We have solved the three-dimensional structure of choleragen at 2.5 {Angstrom} resolution and compared the refined coordinates with those of choleragenoid (isolated B pentamer) and the heat-labile enterotoxin from Escherichia coli (LT). The crystalline coordinates provide a detailed view of the stereochemistry implicated in binding to GM1 gangliosides and in carrying out ADP-ribosylation. The A2 chain of choleragen, in contrast to that of LT, is a nearly continuous {alpha}-helix with an interpretable carboxyl tail.

Parallel solution of sparse one-dimensional dynamic programming problems

NASA Technical Reports Server (NTRS)

Nicol, David M.

1989-01-01

Parallel computation offers the potential for quickly solving large computational problems. However, it is often a non-trivial task to effectively use parallel computers. Solution methods must sometimes be reformulated to exploit parallelism; the reformulations are often more complex than their slower serial counterparts. We illustrate these points by studying the parallelization of sparse one-dimensional dynamic programming problems, those which do not obviously admit substantial parallelization. We propose a new method for parallelizing such problems, develop analytic models which help us to identify problems which parallelize well, and compare the performance of our algorithm with existing algorithms on a multiprocessor.

Suppression of gate leakage current in in-situ grown AlN/InAlN/AlN/GaN heterostructures based on the control of internal polarization fields

NASA Astrophysics Data System (ADS)

Kotani, Junji; Yamada, Atsushi; Ishiguro, Tetsuro; Yamaguchi, Hideshi; Nakamura, Norikazu

2017-03-01

This paper investigates the gate leakage characteristics of in-situ AlN capped InAlN/AlN/GaN heterostructures grown by metal-organic vapor phase epitaxy. It was revealed that the leakage characteristics of AlN capped InAlN/AlN/GaN heterostructures are strongly dependent on the growth temperature of the AlN cap. For an AlN capped structure with an AlN growth temperature of 740 °C, the leakage current even increased although there exists a large bandgap material on InAlN/AlN/GaN heterostructures. On the other hand, a large reduction of the gate leakage current by 4-5 orders of magnitudes was achieved with a very low AlN growth temperature of 430 °C. X-ray diffraction analysis of the AlN cap grown at 740 °C indicated that the AlN layer is tensile-strained. In contrast to this result, the amorphous structure was confirmed for the AlN cap grown at 430 °C by transmission electron microscopy. Furthermore, theoretical analysis based on one-dimensional band simulation was carried out, and the large increase in two-dimensional electron gas (2DEG) observed in Hall measurements was well reproduced by taking into account the spontaneous and piezo-electric polarization in the AlN layer grown at 740 °C. For the AlN capped structure grown at 430 °C, it is believed that the reduced polarization field in the AlN cap suppressed the penetration of 2DEG into the InAlN barrier layer, resulting in a small impact on 2DEG mobility and density. We believe that an in-situ grown AlN cap with a very low growth temperature of 430 °C is a promising candidate for high-frequency/high-power GaN-based devices with low gate leakage current.

A k-space method for large-scale models of wave propagation in tissue.

PubMed

Mast, T D; Souriau, L P; Liu, D L; Tabei, M; Nachman, A I; Waag, R C

2001-03-01

Large-scale simulation of ultrasonic pulse propagation in inhomogeneous tissue is important for the study of ultrasound-tissue interaction as well as for development of new imaging methods. Typical scales of interest span hundreds of wavelengths; most current two-dimensional methods, such as finite-difference and finite-element methods, are unable to compute propagation on this scale with the efficiency needed for imaging studies. Furthermore, for most available methods of simulating ultrasonic propagation, large-scale, three-dimensional computations of ultrasonic scattering are infeasible. Some of these difficulties have been overcome by previous pseudospectral and k-space methods, which allow substantial portions of the necessary computations to be executed using fast Fourier transforms. This paper presents a simplified derivation of the k-space method for a medium of variable sound speed and density; the derivation clearly shows the relationship of this k-space method to both past k-space methods and pseudospectral methods. In the present method, the spatial differential equations are solved by a simple Fourier transform method, and temporal iteration is performed using a k-t space propagator. The temporal iteration procedure is shown to be exact for homogeneous media, unconditionally stable for "slow" (c(x) < or = c0) media, and highly accurate for general weakly scattering media. The applicability of the k-space method to large-scale soft tissue modeling is shown by simulating two-dimensional propagation of an incident plane wave through several tissue-mimicking cylinders as well as a model chest wall cross section. A three-dimensional implementation of the k-space method is also employed for the example problem of propagation through a tissue-mimicking sphere. Numerical results indicate that the k-space method is accurate for large-scale soft tissue computations with much greater efficiency than that of an analogous leapfrog pseudospectral method or a 2-4 finite difference time-domain method. However, numerical results also indicate that the k-space method is less accurate than the finite-difference method for a high contrast scatterer with bone-like properties, although qualitative results can still be obtained by the k-space method with high efficiency. Possible extensions to the method, including representation of absorption effects, absorbing boundary conditions, elastic-wave propagation, and acoustic nonlinearity, are discussed.

Two dimensional thermo-optic beam steering using a silicon photonic optical phased array

NASA Astrophysics Data System (ADS)

Mahon, Rita; Preussner, Marcel W.; Rabinovich, William S.; Goetz, Peter G.; Kozak, Dmitry A.; Ferraro, Mike S.; Murphy, James L.

2016-03-01

Components for free space optical communication terminals such as lasers, amplifiers, and receivers have all seen substantial reduction in both size and power consumption over the past several decades. However, pointing systems, such as fast steering mirrors and gimbals, have remained large, slow and power-hungry. Optical phased arrays provide a possible solution for non-mechanical beam steering devices that can be compact and lower in power. Silicon photonics is a promising technology for phased arrays because it has the potential to scale to many elements and may be compatible with CMOS technology thereby enabling batch fabrication. For most free space optical communication applications, two-dimensional beam steering is needed. To date, silicon photonic phased arrays have achieved two-dimensional steering by combining thermo-optic steering, in-plane, with wavelength tuning by means of an output grating to give angular tuning, out-of-plane. While this architecture might work for certain static communication links, it would be difficult to implement for moving platforms. Other approaches have required N2 controls for an NxN element phased array, which leads to complexity. Hence, in this work we demonstrate steering using the thermo-optic effect for both dimensions with a simplified steering mechanism requiring only two control signals, one for each steering dimension.

Proteus two-dimensional Navier-Stokes computer code, version 2.0. Volume 1: Analysis description

NASA Technical Reports Server (NTRS)

Towne, Charles E.; Schwab, John R.; Bui, Trong T.

1993-01-01

A computer code called Proteus 2D was developed to solve the two-dimensional planar or axisymmetric, Reynolds-averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The objective in this effort was to develop a code for aerospace propulsion applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The governing equations are solved in generalized nonorthogonal body-fitted coordinates, by marching in time using a fully-coupled ADI solution procedure. The boundary conditions are treated implicitly. All terms, including the diffusion terms, are linearized using second-order Taylor series expansions. Turbulence is modeled using either an algebraic or two-equation eddy viscosity model. The thin-layer or Euler equations may also be solved. The energy equation may be eliminated by the assumption of constant total enthalpy. Explicit and implicit artificial viscosity may be used. Several time step options are available for convergence acceleration. The documentation is divided into three volumes. This is the Analysis Description, and presents the equations and solution procedure. The governing equations, the turbulence model, the linearization of the equations and boundary conditions, the time and space differencing formulas, the ADI solution procedure, and the artificial viscosity models are described in detail.

Proteus two-dimensional Navier-Stokes computer code, version 2.0. Volume 2: User's guide

NASA Technical Reports Server (NTRS)

Towne, Charles E.; Schwab, John R.; Bui, Trong T.

1993-01-01

A computer code called Proteus 2D was developed to solve the two-dimensional planar or axisymmetric, Reynolds-averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The objective in this effort was to develop a code for aerospace propulsion applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The governing equations are solved in generalized nonorthogonal body-fitted coordinates, by marching in time using a fully-coupled ADI solution procedure. The boundary conditions are treated implicitly. All terms, including the diffusion terms, are linearized using second-order Taylor series expansions. Turbulence is modeled using either an algebraic or two-equation eddy viscosity model. The thin-layer or Euler equations may also be solved. The energy equation may be eliminated by the assumption of constant total enthalpy. Explicit and implicit artificial viscosity may be used. Several time step options are available for convergence acceleration. The documentation is divided into three volumes. This is the User's Guide, and describes the program's features, the input and output, the procedure for setting up initial conditions, the computer resource requirements, the diagnostic messages that may be generated, the job control language used to run the program, and several test cases.

Thomas-Fermi model for a bulk self-gravitating stellar object in two dimensions

NASA Astrophysics Data System (ADS)

De, Sanchari; Chakrabarty, Somenath

2015-09-01

In this article we have solved a hypothetical problem related to the stability and gross properties of two-dimensional self-gravitating stellar objects using the Thomas-Fermi model. The formalism presented here is an extension of the standard three-dimensional problem discussed in the book on statistical physics, Part I by Landau and Lifshitz. Further, the formalism presented in this article may be considered a class problem for post-graduate-level students of physics or may be assigned as a part of their dissertation project.

Operational manual for two-dimensional transonic code TSFOIL

NASA Technical Reports Server (NTRS)

Stahara, S. S.

1978-01-01

This code solves the two-dimensional, transonic, small-disturbance equations for flow past lifting airfoils in both free air and various wind-tunnel environments by using a variant of the finite-difference method. A description of the theoretical and numerical basis of the code is provided, together with complete operating instructions and sample cases for the general user. In addition, a programmer's manual is also presented to assist the user interested in modifying the code. Included in the programmer's manual are a dictionary of subroutine variables in common and a detailed description of each subroutine.

Finite Differences and Collocation Methods for the Solution of the Two Dimensional Heat Equation

NASA Technical Reports Server (NTRS)

Kouatchou, Jules

1999-01-01

In this paper we combine finite difference approximations (for spatial derivatives) and collocation techniques (for the time component) to numerically solve the two dimensional heat equation. We employ respectively a second-order and a fourth-order schemes for the spatial derivatives and the discretization method gives rise to a linear system of equations. We show that the matrix of the system is non-singular. Numerical experiments carried out on serial computers, show the unconditional stability of the proposed method and the high accuracy achieved by the fourth-order scheme.

Solving time-dependent two-dimensional eddy current problems

NASA Technical Reports Server (NTRS)

Lee, Min Eig; Hariharan, S. I.; Ida, Nathan

1990-01-01

Transient eddy current calculations are presented for an EM wave-scattering and field-penetrating case in which a two-dimensional transverse magnetic field is incident on a good (i.e., not perfect) and infinitely long conductor. The problem thus posed is of initial boundary-value interface type, where the boundary of the conductor constitutes the interface. A potential function is used for time-domain modeling of the situation, and finite difference-time domain techniques are used to march the potential function explicitly in time. Attention is given to the case of LF radiation conditions.

Unsteady free surface flow in porous media: One-dimensional model equations including vertical effects and seepage face

NASA Astrophysics Data System (ADS)

Di Nucci, Carmine

2018-05-01

This note examines the two-dimensional unsteady isothermal free surface flow of an incompressible fluid in a non-deformable, homogeneous, isotropic, and saturated porous medium (with zero recharge and neglecting capillary effects). Coupling a Boussinesq-type model for nonlinear water waves with Darcy's law, the two-dimensional flow problem is solved using one-dimensional model equations including vertical effects and seepage face. In order to take into account the seepage face development, the system equations (given by the continuity and momentum equations) are completed by an integral relation (deduced from the Cauchy theorem). After testing the model against data sets available in the literature, some numerical simulations, concerning the unsteady flow through a rectangular dam (with an impermeable horizontal bottom), are presented and discussed.

Friedel oscillation near a van Hove singularity in two-dimensional Dirac materials

NASA Astrophysics Data System (ADS)

Lu, Chi-Ken

2016-02-01

We consider Friedel oscillation in the two-dimensional Dirac materials when the Fermi level is near the van Hove singularity. Twisted graphene bilayer and the surface state of topological crystalline insulator are the representative materials which show low-energy saddle points that are feasible to probe by gating. We approximate the Fermi surface near saddle point with a hyperbola and calculate the static Lindhard response function. Employing a theorem of Lighthill, the induced charge density δ n due to an impurity is obtained and the algebraic decay of δ n is determined by the singularity of the static response function. Although a hyperbolic Fermi surface is rather different from a circular one, the static Lindhard response function in the present case shows a singularity similar with the response function associated with circular Fermi surface, which leads to the δ n\\propto {{R}-2} at large distance R. The dependences of charge density on the Fermi energy are different. Consequently, it is possible to observe in twisted graphene bilayer the evolution that δ n\\propto {{R}-3} near Dirac point changes to δ n\\propto {{R}-2} above the saddle point. Measurements using scanning tunnelling microscopy around the impurity sites could verify the prediction.

A two-dimensional bilayered Cd(II) coordination polymer with a three-dimensional supramolecular architecture incorporating 1,2-bis(pyridin-4-yl)ethene and 2,2'-(diazenediyl)dibenzoic acid.

PubMed

Liu, Lei-Lei; Zhou, Yan; Li, Ping; Tian, Jiang-Ya

2014-02-01

In poly[[μ2-1,2-bis(pyridin-4-yl)ethene-κ(2)N:N'][μ2-2,2'-(diazenediyl)dibenzoato-κ(3)O,O':O'']cadmium(II)], [Cd(C14H8N2O4)(C12H10N2)]n, the asymmetric unit contains one Cd(II) cation, one 2,2'-(diazenediyl)dibenzoate anion (denoted L(2-)) and one 1,2-bis(pyridin-4-yl)ethene ligand (denoted bpe). Each Cd(II) centre is six-coordinated by four O atoms of bridging/chelating carboxylate groups from three L(2-) ligands and by two N atoms from two bpe ligands, forming a distorted octahedron. The Cd(II) cations are bridged by L(2-) and bpe ligands to give a two-dimensional (4,4) layer. The layers are interlinked through bridging carboxylate O atoms from L(2-) ligands, generating a two-dimensional bilayered structure with a 3(6)4(13)6(2) topology. The bilayered structures are further extended to form a three-dimensional supramolecular architecture via a combination of hydrogen-bonding and aromatic stacking interactions.

Numerical viscosity and resolution of high-order weighted essentially nonoscillatory schemes for compressible flows with high Reynolds numbers.

PubMed

Zhang, Yong-Tao; Shi, Jing; Shu, Chi-Wang; Zhou, Ye

2003-10-01

A quantitative study is carried out in this paper to investigate the size of numerical viscosities and the resolution power of high-order weighted essentially nonoscillatory (WENO) schemes for solving one- and two-dimensional Navier-Stokes equations for compressible gas dynamics with high Reynolds numbers. A one-dimensional shock tube problem, a one-dimensional example with parameters motivated by supernova and laser experiments, and a two-dimensional Rayleigh-Taylor instability problem are used as numerical test problems. For the two-dimensional Rayleigh-Taylor instability problem, or similar problems with small-scale structures, the details of the small structures are determined by the physical viscosity (therefore, the Reynolds number) in the Navier-Stokes equations. Thus, to obtain faithful resolution to these small-scale structures, the numerical viscosity inherent in the scheme must be small enough so that the physical viscosity dominates. A careful mesh refinement study is performed to capture the threshold mesh for full resolution, for specific Reynolds numbers, when WENO schemes of different orders of accuracy are used. It is demonstrated that high-order WENO schemes are more CPU time efficient to reach the same resolution, both for the one-dimensional and two-dimensional test problems.

Solving large scale structure in ten easy steps with COLA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tassev, Svetlin; Zaldarriaga, Matias; Eisenstein, Daniel J., E-mail: stassev@cfa.harvard.edu, E-mail: matiasz@ias.edu, E-mail: deisenstein@cfa.harvard.edu

2013-06-01

We present the COmoving Lagrangian Acceleration (COLA) method: an N-body method for solving for Large Scale Structure (LSS) in a frame that is comoving with observers following trajectories calculated in Lagrangian Perturbation Theory (LPT). Unlike standard N-body methods, the COLA method can straightforwardly trade accuracy at small-scales in order to gain computational speed without sacrificing accuracy at large scales. This is especially useful for cheaply generating large ensembles of accurate mock halo catalogs required to study galaxy clustering and weak lensing, as those catalogs are essential for performing detailed error analysis for ongoing and future surveys of LSS. As anmore » illustration, we ran a COLA-based N-body code on a box of size 100 Mpc/h with particles of mass ≈ 5 × 10{sup 9}M{sub s}un/h. Running the code with only 10 timesteps was sufficient to obtain an accurate description of halo statistics down to halo masses of at least 10{sup 11}M{sub s}un/h. This is only at a modest speed penalty when compared to mocks obtained with LPT. A standard detailed N-body run is orders of magnitude slower than our COLA-based code. The speed-up we obtain with COLA is due to the fact that we calculate the large-scale dynamics exactly using LPT, while letting the N-body code solve for the small scales, without requiring it to capture exactly the internal dynamics of halos. Achieving a similar level of accuracy in halo statistics without the COLA method requires at least 3 times more timesteps than when COLA is employed.« less

Numerical study of the flow in a three-dimensional thermally driven cavity

NASA Astrophysics Data System (ADS)

Rauwoens, Pieter; Vierendeels, Jan; Merci, Bart

2008-06-01

Solutions for the fully compressible Navier-Stokes equations are presented for the flow and temperature fields in a cubic cavity with large horizontal temperature differences. The ideal-gas approximation for air is assumed and viscosity is computed using Sutherland's law. The three-dimensional case forms an extension of previous studies performed on a two-dimensional square cavity. The influence of imposed boundary conditions in the third dimension is investigated as a numerical experiment. Comparison is made between convergence rates in case of periodic and free-slip boundary conditions. Results with no-slip boundary conditions are presented as well. The effect of the Rayleigh number is studied. Results are computed using a finite volume method on a structured, collocated grid. An explicit third-order discretization for the convective part and an implicit central discretization for the acoustic part and for the diffusive part are used. To stabilize the scheme an artificial dissipation term for the pressure and the temperature is introduced. The discrete equations are solved using a time-marching method with restrictions on the timestep corresponding to the explicit parts of the solver. Multigrid is used as acceleration technique.

A dynamic-solver-consistent minimum action method: With an application to 2D Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Wan, Xiaoliang; Yu, Haijun

2017-02-01

This paper discusses the necessity and strategy to unify the development of a dynamic solver and a minimum action method (MAM) for a spatially extended system when employing the large deviation principle (LDP) to study the effects of small random perturbations. A dynamic solver is used to approximate the unperturbed system, and a minimum action method is used to approximate the LDP, which corresponds to solving an Euler-Lagrange equation related to but more complicated than the unperturbed system. We will clarify possible inconsistencies induced by independent numerical approximations of the unperturbed system and the LDP, based on which we propose to define both the dynamic solver and the MAM on the same approximation space for spatial discretization. The semi-discrete LDP can then be regarded as the exact LDP of the semi-discrete unperturbed system, which is a finite-dimensional ODE system. We achieve this methodology for the two-dimensional Navier-Stokes equations using a divergence-free approximation space. The method developed can be used to study the nonlinear instability of wall-bounded parallel shear flows, and be generalized straightforwardly to three-dimensional cases. Numerical experiments are presented.

Multigrid for hypersonic viscous two- and three-dimensional flows

NASA Technical Reports Server (NTRS)

Turkel, E.; Swanson, R. C.; Vatsa, V. N.; White, J. A.

1991-01-01

The use of a multigrid method with central differencing to solve the Navier-Stokes equations for hypersonic flows is considered. The time dependent form of the equations is integrated with an explicit Runge-Kutta scheme accelerated by local time stepping and implicit residual smoothing. Variable coefficients are developed for the implicit process that removes the diffusion limit on the time step, producing significant improvement in convergence. A numerical dissipation formulation that provides good shock capturing capability for hypersonic flows is presented. This formulation is shown to be a crucial aspect of the multigrid method. Solutions are given for two-dimensional viscous flow over a NACA 0012 airfoil and three-dimensional flow over a blunt biconic.

Control of the third dimension in copper-based square-lattice antiferromagnets

DOE PAGES

Goddard, Paul A.; Singleton, John; Franke, Isabel; ...

2016-03-25

Using a mixed-ligand synthetic scheme, we create a family of quasi-two-dimensional antiferromagnets, namely, [Cu(HF 2)(pyz) 2]ClO 4 [pyz = pyrazine], [CuL 2(pyz) 2](ClO 4) 2 [L = pyO = pyridine-N-oxide and 4-phpy-O = 4-phenylpyridine-N-oxide. These materials are shown to possess equivalent two-dimensional [Cu(pyz) 2] 2+ nearly square layers, but exhibit interlayer spacings that vary from 6.5713 to 16.777 Å, as dictated by the axial ligands. We present the structural and magnetic properties of this family as determined via x-ray diffraction, electron-spin resonance, pulsed- and quasistatic-field magnetometry and muon-spin rotation, and compare them to those of the prototypical two-dimensional magnetic polymermore » Cu(pyz) 2(ClO 4) 2. We find that, within the limits of the experimental error, the two-dimensional, intralayer exchange coupling in our family of materials remains largely unaffected by the axial ligand substitution, while the observed magnetic ordering temperature (1.91 K for the material with the HF 2 axial ligand, 1.70 K for the pyO and 1.63 K for the 4-phpy-O) decreases slowly with increasing layer separation. Despite the structural motifs common to this family and Cu(pyz) 2(ClO 4) 2, the latter has significantly stronger two-dimensional exchange interactions and hence a higher ordering temperature. Here, we discuss these results, as well as the mechanisms that might drive the long-range order in these materials, in terms of departures from the ideal S = 1/2 two-dimensional square-lattice Heisenberg antiferromagnet. In particular, we find that both spin-exchange anisotropy in the intralayer interaction and interlayer couplings (exchange, dipolar, or both) are needed to account for the observed ordering temperatures, with the intralayer anisotropy becoming more important as the layers are pulled further apart.« less

Control of the third dimension in copper-based square-lattice antiferromagnets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goddard, Paul A.; Singleton, John; Franke, Isabel

Using a mixed-ligand synthetic scheme, we create a family of quasi-two-dimensional antiferromagnets, namely, [Cu(HF 2)(pyz) 2]ClO 4 [pyz = pyrazine], [CuL 2(pyz) 2](ClO 4) 2 [L = pyO = pyridine-N-oxide and 4-phpy-O = 4-phenylpyridine-N-oxide. These materials are shown to possess equivalent two-dimensional [Cu(pyz) 2] 2+ nearly square layers, but exhibit interlayer spacings that vary from 6.5713 to 16.777 Å, as dictated by the axial ligands. We present the structural and magnetic properties of this family as determined via x-ray diffraction, electron-spin resonance, pulsed- and quasistatic-field magnetometry and muon-spin rotation, and compare them to those of the prototypical two-dimensional magnetic polymermore » Cu(pyz) 2(ClO 4) 2. We find that, within the limits of the experimental error, the two-dimensional, intralayer exchange coupling in our family of materials remains largely unaffected by the axial ligand substitution, while the observed magnetic ordering temperature (1.91 K for the material with the HF 2 axial ligand, 1.70 K for the pyO and 1.63 K for the 4-phpy-O) decreases slowly with increasing layer separation. Despite the structural motifs common to this family and Cu(pyz) 2(ClO 4) 2, the latter has significantly stronger two-dimensional exchange interactions and hence a higher ordering temperature. Here, we discuss these results, as well as the mechanisms that might drive the long-range order in these materials, in terms of departures from the ideal S = 1/2 two-dimensional square-lattice Heisenberg antiferromagnet. In particular, we find that both spin-exchange anisotropy in the intralayer interaction and interlayer couplings (exchange, dipolar, or both) are needed to account for the observed ordering temperatures, with the intralayer anisotropy becoming more important as the layers are pulled further apart.« less

Control of the third dimension in copper-based square-lattice antiferromagnets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goddard, Paul A.; Singleton, John; Franke, Isabel

Using a mixed-ligand synthetic scheme, we create a family of quasi-two-dimensional antiferromagnets, namely, [Cu(HF2)(pyz)(2)]ClO4 [pyz = pyrazine], [CuL2(pyz)(2)](ClO4)(2) [L = pyO = pyridine-N-oxide and 4-phpy-O = 4-phenylpyridine-N-oxide. These materials are shown to possess equivalent two-dimensional [Cu(pyz)(2)](2+) nearly square layers, but exhibit interlayer spacings that vary from 6.5713 to 16.777 angstrom, as dictated by the axial ligands. We present the structural and magnetic properties of this family as determined via x-ray diffraction, electron-spin resonance, pulsed-and quasistatic-field magnetometry and muon-spin rotation, and compare them to those of the prototypical two-dimensional magnetic polymer Cu(pyz)(2)(ClO4)(2). We find that, within the limits of the experimentalmore » error, the two-dimensional, intralayer exchange coupling in our family of materials remains largely unaffected by the axial ligand substitution, while the observed magnetic ordering temperature (1.91 K for the material with the HF2 axial ligand, 1.70 K for the pyO and 1.63 K for the 4-phpy-O) decreases slowly with increasing layer separation. Despite the structural motifs common to this family and Cu(pyz)(2)(ClO4)(2), the latter has significantly stronger two-dimensional exchange interactions and hence a higher ordering temperature. We discuss these results, as well as the mechanisms that might drive the long-range order in these materials, in terms of departures from the ideal S = 1/2 two-dimensional square-lattice Heisenberg antiferromagnet. In particular, we find that both spin-exchange anisotropy in the intralayer interaction and interlayer couplings (exchange, dipolar, or both) are needed to account for the observed ordering temperatures, with the intralayer anisotropy becoming more important as the layers are pulled further apart.« less

Hot-Spot Residues to be Mutated Common in G Protein-Coupled Receptors of Class A: Identification of Thermostabilizing Mutations Followed by Determination of Three-Dimensional Structures for Two Example Receptors.

PubMed

Yasuda, Satoshi; Kajiwara, Yuta; Toyoda, Yosuke; Morimoto, Kazushi; Suno, Ryoji; Iwata, So; Kobayashi, Takuya; Murata, Takeshi; Kinoshita, Masahiro

2017-07-06

G protein-coupled receptors (GPCRs), which are indispensable to life and also implicated in a number of diseases, construct important drug targets. For the efficient structure-guided drug design, however, their structural stabilities must be enhanced. An amino-acid mutation is known to possibly lead to the enhancement, but currently available experimental and theoretical methods for identifying stabilizing mutations suffer such drawbacks as the incapability of exploring the whole mutational space with minor effort and the unambiguous physical origin of the enhanced or lowered stability. In general, after the identification is successfully made for a GPCR, the whole procedure must be followed all over again for the identification for another GPCR. Here we report a theoretical strategy by which many different GPCRs can be considered at the same time. The strategy is illustrated for three GPCRs of Class A in the inactive state. We argue that a mutation of the residue at a position of N BW = 3.39 (N BW is the Ballesteros-Weinstein number), a hot-spot residue, leads to substantially higher stability for significantly many GPCRs of Class A in the inactive state. The most stabilizing mutations of the residues with N BW = 3.39 are then identified for two of the three GPCRs, using the improved version of our free-energy function. These identifications are experimentally corroborated, which is followed by the determination of new three-dimensional (3D) structures for the two GPCRs. We expect that on the basis of the strategy, the 3D structures of many GPCRs of Class A can be solved for the first time in succession.

Mixed-mode fracture mechanics parameters of elliptical interface cracks in anisotropic bimaterials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xue, Y.; Qu, J.

1999-07-01

Two-dimensional interface cracks in anisotropic bimaterials have been studied extensively in the literature. However, solutions to three-dimensional interface cracks in anisotropic bimaterials are not available, except for circular (penny-shaped) cracks. In this paper, an elliptical crack on the interface between two anisotropic elastic half-spaces is considered. A formal solution is obtained by using the Stroh method in two dimensional elasticity in conjunction with the Fourier transform method. To illustrate the solution procedure, an elliptical delamination in a cross-ply composite is solved. Numerical results of the stress intensity factors and energy release rate along the crack front are obtained terms ofmore » the interfacial matrix M. It is found that the fields near the crack front are often in mixed mode, due to material anisotropy and the three dimensional nature of the crack front.« less

Guiding brine shrimp through mazes by solving reaction diffusion equations

NASA Astrophysics Data System (ADS)

Singal, Krishma; Fenton, Flavio

Excitable systems driven by reaction diffusion equations have been shown to not only find solutions to mazes but to also to find the shortest path between the beginning and the end of the maze. In this talk we describe how we can use the Fitzhugh-Nagumo model, a generic model for excitable media, to solve a maze by varying the basin of attraction of its two fixed points. We demonstrate how two dimensional mazes are solved numerically using a Java Applet and then accelerated to run in real time by using graphic processors (GPUs). An application of this work is shown by guiding phototactic brine shrimp through a maze solved by the algorithm. Once the path is obtained, an Arduino directs the shrimp through the maze using lights from LEDs placed at the floor of the Maze. This method running in real time could be eventually used for guiding robots and cars through traffic.

A finite element formulation for scattering from electrically large 2-dimensional structures

NASA Technical Reports Server (NTRS)

Ross, Daniel C.; Volakis, John L.

1992-01-01

A finite element formulation is given using the scattered field approach with a fictitious material absorber to truncate the mesh. The formulation includes the use of arbitrary approximation functions so that more accurate results can be achieved without any modification to the software. Additionally, non-polynomial approximation functions can be used, including complex approximation functions. The banded system that results is solved with an efficient sparse/banded iterative scheme and as a consequence, large structures can be analyzed. Results are given for simple cases to verify the formulation and also for large, complex geometries.

PROTEUS two-dimensional Navier-Stokes computer code, version 1.0. Volume 1: Analysis description

NASA Technical Reports Server (NTRS)

Towne, Charles E.; Schwab, John R.; Benson, Thomas J.; Suresh, Ambady

1990-01-01

A new computer code was developed to solve the two-dimensional or axisymmetric, Reynolds averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The thin-layer or Euler equations may also be solved. Turbulence is modeled using an algebraic eddy viscosity model. The objective was to develop a code for aerospace applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The equations are written in nonorthogonal body-fitted coordinates, and solved by marching in time using a fully-coupled alternating direction-implicit procedure with generalized first- or second-order time differencing. All terms are linearized using second-order Taylor series. The boundary conditions are treated implicitly, and may be steady, unsteady, or spatially periodic. Simple Cartesian or polar grids may be generated internally by the program. More complex geometries require an externally generated computational coordinate system. The documentation is divided into three volumes. Volume 1 is the Analysis Description, and describes in detail the governing equations, the turbulence model, the linearization of the equations and boundary conditions, the time and space differencing formulas, the ADI solution procedure, and the artificial viscosity models.

PROTEUS two-dimensional Navier-Stokes computer code, version 1.0. Volume 2: User's guide

NASA Technical Reports Server (NTRS)

Towne, Charles E.; Schwab, John R.; Benson, Thomas J.; Suresh, Ambady

1990-01-01

A new computer code was developed to solve the two-dimensional or axisymmetric, Reynolds averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The thin-layer or Euler equations may also be solved. Turbulence is modeled using an algebraic eddy viscosity model. The objective was to develop a code for aerospace applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The equations are written in nonorthogonal body-fitted coordinates, and solved by marching in time using a fully-coupled alternating direction-implicit procedure with generalized first- or second-order time differencing. All terms are linearized using second-order Taylor series. The boundary conditions are treated implicitly, and may be steady, unsteady, or spatially periodic. Simple Cartesian or polar grids may be generated internally by the program. More complex geometries require an externally generated computational coordinate system. The documentation is divided into three volumes. Volume 2 is the User's Guide, and describes the program's general features, the input and output, the procedure for setting up initial conditions, the computer resource requirements, the diagnostic messages that may be generated, the job control language used to run the program, and several test cases.

Application of Fourier transforms for microwave radiometric inversions

NASA Technical Reports Server (NTRS)

Holmes, J. J.; Balanis, C. A.; Truman, W. M.

1975-01-01

Existing microwave radiometer technology now provides a suitable method for remote determination of the ocean surface's absolute brightness temperature. To extract the brightness temperature of the water from the antenna temperature, an unstable Fredholm integral equation of the first kind is solved. Fourier transform techniques are used to invert the integral after it is placed into a cross correlation form. Application and verification of the methods to a two-dimensional modeling of a laboratory wave tank system are included. The instability of the ill-posed Fredholm equation is examined and a restoration procedure is included which smooths the resulting oscillations. With the recent availability and advances of fast Fourier transform (FFT) techniques, the method presented becomes very attractive in the evaluation of large quantities of data.

Aerodynamic Characteristics of High Speed Trains under Cross Wind Conditions

NASA Astrophysics Data System (ADS)

Chen, W.; Wu, S. P.; Zhang, Y.

2011-09-01

Numerical simulation for the two models in cross-wind was carried out in this paper. The three-dimensional compressible Reynolds-averaged Navier-Stokes equations(RANS), combined with the standard k-ɛ turbulence model, were solved on multi-block hybrid grids by second order upwind finite volume technique. The impact of fairing on aerodynamic characteristics of the train models was analyzed. It is shown that, the flow separates on the fairing and a strong vortex is generated, the pressure on the upper middle car decreases dramatically, which leads to a large lift force. The fairing changes the basic patterns around the trains. In addition, formulas of the coefficient of aerodynamic force at small yaw angles up to 24° were expressed.

Application of a Chimera Full Potential Algorithm for Solving Aerodynamic Problems

NASA Technical Reports Server (NTRS)

Holst, Terry L.; Kwak, Dochan (Technical Monitor)

1997-01-01

A numerical scheme utilizing a chimera zonal grid approach for solving the three dimensional full potential equation is described. Special emphasis is placed on describing the spatial differencing algorithm around the chimera interface. Results from two spatial discretization variations are presented; one using a hybrid first-order/second-order-accurate scheme and the second using a fully second-order-accurate scheme. The presentation is highlighted with a number of transonic wing flow field computations.

Scalable High Performance Computing: Direct and Large-Eddy Turbulent Flow Simulations Using Massively Parallel Computers

NASA Technical Reports Server (NTRS)

Morgan, Philip E.

2004-01-01

This final report contains reports of research related to the tasks "Scalable High Performance Computing: Direct and Lark-Eddy Turbulent FLow Simulations Using Massively Parallel Computers" and "Devleop High-Performance Time-Domain Computational Electromagnetics Capability for RCS Prediction, Wave Propagation in Dispersive Media, and Dual-Use Applications. The discussion of Scalable High Performance Computing reports on three objectives: validate, access scalability, and apply two parallel flow solvers for three-dimensional Navier-Stokes flows; develop and validate a high-order parallel solver for Direct Numerical Simulations (DNS) and Large Eddy Simulation (LES) problems; and Investigate and develop a high-order Reynolds averaged Navier-Stokes turbulence model. The discussion of High-Performance Time-Domain Computational Electromagnetics reports on five objectives: enhancement of an electromagnetics code (CHARGE) to be able to effectively model antenna problems; utilize lessons learned in high-order/spectral solution of swirling 3D jets to apply to solving electromagnetics project; transition a high-order fluids code, FDL3DI, to be able to solve Maxwell's Equations using compact-differencing; develop and demonstrate improved radiation absorbing boundary conditions for high-order CEM; and extend high-order CEM solver to address variable material properties. The report also contains a review of work done by the systems engineer.

Initiating heavy-atom-based phasing by multi-dimensional molecular replacement.

PubMed

Pedersen, Bjørn Panyella; Gourdon, Pontus; Liu, Xiangyu; Karlsen, Jesper Lykkegaard; Nissen, Poul

2016-03-01

To obtain an electron-density map from a macromolecular crystal the phase problem needs to be solved, which often involves the use of heavy-atom derivative crystals and concomitant heavy-atom substructure determination. This is typically performed by dual-space methods, direct methods or Patterson-based approaches, which however may fail when only poorly diffracting derivative crystals are available. This is often the case for, for example, membrane proteins. Here, an approach for heavy-atom site identification based on a molecular-replacement parameter matrix (MRPM) is presented. It involves an n-dimensional search to test a wide spectrum of molecular-replacement parameters, such as different data sets and search models with different conformations. Results are scored by the ability to identify heavy-atom positions from anomalous difference Fourier maps. The strategy was successfully applied in the determination of a membrane-protein structure, the copper-transporting P-type ATPase CopA, when other methods had failed to determine the heavy-atom substructure. MRPM is well suited to proteins undergoing large conformational changes where multiple search models should be considered, and it enables the identification of weak but correct molecular-replacement solutions with maximum contrast to prime experimental phasing efforts.

Initiating heavy-atom-based phasing by multi-dimensional molecular replacement

PubMed Central

Pedersen, Bjørn Panyella; Gourdon, Pontus; Liu, Xiangyu; Karlsen, Jesper Lykkegaard; Nissen, Poul

2016-01-01

To obtain an electron-density map from a macromolecular crystal the phase problem needs to be solved, which often involves the use of heavy-atom derivative crystals and concomitant heavy-atom substructure determination. This is typically performed by dual-space methods, direct methods or Patterson-based approaches, which however may fail when only poorly diffracting derivative crystals are available. This is often the case for, for example, membrane proteins. Here, an approach for heavy-atom site identification based on a molecular-replacement parameter matrix (MRPM) is presented. It involves an n-dimensional search to test a wide spectrum of molecular-replacement parameters, such as different data sets and search models with different conformations. Results are scored by the ability to identify heavy-atom positions from anomalous difference Fourier maps. The strategy was successfully applied in the determination of a membrane-protein structure, the copper-transporting P-type ATPase CopA, when other methods had failed to determine the heavy-atom substructure. MRPM is well suited to proteins undergoing large conformational changes where multiple search models should be considered, and it enables the identification of weak but correct molecular-replacement solutions with maximum contrast to prime experimental phasing efforts. PMID:26960131

Diffusion of two-dimensional epitaxial clusters on metal (100) surfaces: Facile versus nucleation-mediated behavior and their merging for larger sizes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lai, King C.; Liu, Da -Jiang; Evans, James W.

For diffusion of two-dimensional homoepitaxial clusters of N atoms on metal(100) surfaces mediated by edge atom hopping, macroscale continuum theory suggests that the diffusion coefficient scales like DN ~ N -β with β = 3/2. However, we find quite different and diverse behavior in multiple size regimes. These include: (i) facile diffusion for small sizes N < 9; (ii) slow nucleation-mediated diffusion with small β < 1 for “perfect” sizes N = N p = L 2 or L(L+1), for L = 3, 4,… having unique ground state shapes, for moderate sizes 9 ≤ N ≤ O(10 2); the samemore » also applies for N = N p +3, N p + 4,… (iii) facile diffusion but with large β > 2 for N = Np + 1 and N p + 2 also for moderate sizes 9 ≤ N ≤ O(10 2); (iv) merging of the above distinct branches and subsequent anomalous scaling with 1 ≲ β < 3/2, reflecting the quasi-facetted structure of clusters, for larger N = O(10 2) to N = O(10 3); and (v) classic scaling with β = 3/2 for very large N = O(103) and above. The specified size ranges apply for typical model parameters. We focus on the moderate size regime where show that diffusivity cycles quasi-periodically from the slowest branch for N p + 3 (not Np) to the fastest branch for Np + 1. Behavior is quantified by Kinetic Monte Carlo simulation of an appropriate stochastic lattice-gas model. However, precise analysis must account for a strong enhancement of diffusivity for short time increments due to back-correlation in the cluster motion. Further understanding of this enhancement, of anomalous size scaling behavior, and of the merging of various branches, is facilitated by combinatorial analysis of the number of the ground state and low-lying excited state cluster configurations, and also of kink populations.« less

Diffusion of two-dimensional epitaxial clusters on metal (100) surfaces: Facile versus nucleation-mediated behavior and their merging for larger sizes

DOE PAGES

Lai, King C.; Liu, Da -Jiang; Evans, James W.

2017-12-05

For diffusion of two-dimensional homoepitaxial clusters of N atoms on metal(100) surfaces mediated by edge atom hopping, macroscale continuum theory suggests that the diffusion coefficient scales like DN ~ N -β with β = 3/2. However, we find quite different and diverse behavior in multiple size regimes. These include: (i) facile diffusion for small sizes N < 9; (ii) slow nucleation-mediated diffusion with small β < 1 for “perfect” sizes N = N p = L 2 or L(L+1), for L = 3, 4,… having unique ground state shapes, for moderate sizes 9 ≤ N ≤ O(10 2); the samemore » also applies for N = N p +3, N p + 4,… (iii) facile diffusion but with large β > 2 for N = Np + 1 and N p + 2 also for moderate sizes 9 ≤ N ≤ O(10 2); (iv) merging of the above distinct branches and subsequent anomalous scaling with 1 ≲ β < 3/2, reflecting the quasi-facetted structure of clusters, for larger N = O(10 2) to N = O(10 3); and (v) classic scaling with β = 3/2 for very large N = O(103) and above. The specified size ranges apply for typical model parameters. We focus on the moderate size regime where show that diffusivity cycles quasi-periodically from the slowest branch for N p + 3 (not Np) to the fastest branch for Np + 1. Behavior is quantified by Kinetic Monte Carlo simulation of an appropriate stochastic lattice-gas model. However, precise analysis must account for a strong enhancement of diffusivity for short time increments due to back-correlation in the cluster motion. Further understanding of this enhancement, of anomalous size scaling behavior, and of the merging of various branches, is facilitated by combinatorial analysis of the number of the ground state and low-lying excited state cluster configurations, and also of kink populations.« less

a Cell Vertex Algorithm for the Incompressible Navier-Stokes Equations on Non-Orthogonal Grids

NASA Astrophysics Data System (ADS)

Jessee, J. P.; Fiveland, W. A.

1996-08-01

The steady, incompressible Navier-Stokes (N-S) equations are discretized using a cell vertex, finite volume method. Quadrilateral and hexahedral meshes are used to represent two- and three-dimensional geometries respectively. The dependent variables include the Cartesian components of velocity and pressure. Advective fluxes are calculated using bounded, high-resolution schemes with a deferred correction procedure to maintain a compact stencil. This treatment insures bounded, non-oscillatory solutions while maintaining low numerical diffusion. The mass and momentum equations are solved with the projection method on a non-staggered grid. The coupling of the pressure and velocity fields is achieved using the Rhie and Chow interpolation scheme modified to provide solutions independent of time steps or relaxation factors. An algebraic multigrid solver is used for the solution of the implicit, linearized equations.A number of test cases are anlaysed and presented. The standard benchmark cases include a lid-driven cavity, flow through a gradual expansion and laminar flow in a three-dimensional curved duct. Predictions are compared with data, results of other workers and with predictions from a structured, cell-centred, control volume algorithm whenever applicable. Sensitivity of results to the advection differencing scheme is investigated by applying a number of higher-order flux limiters: the MINMOD, MUSCL, OSHER, CLAM and SMART schemes. As expected, studies indicate that higher-order schemes largely mitigate the diffusion effects of first-order schemes but also shown no clear preference among the higher-order schemes themselves with respect to accuracy. The effect of the deferred correction procedure on global convergence is discussed.

The Structure of Infant Cognition at 1 Year

ERIC Educational Resources Information Center

Rose, S.A.; Feldman, J.F.; Jankowski, J.J.

2005-01-01

The present study explored the dimensionality of cognition at 12 months by factor analyzing data from a large cohort of preterm and full-term infants (N=182). Two analyses were done. In the first, using only measures used earlier, when the infants were 7 months of age, the same three factors emerged at 12 months as at the earlier age-namely,…

DistributedFBA.jl: High-level, high-performance flux balance analysis in Julia

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heirendt, Laurent; Thiele, Ines; Fleming, Ronan M. T.

Flux balance analysis and its variants are widely used methods for predicting steady-state reaction rates in biochemical reaction networks. The exploration of high dimensional networks with such methods is currently hampered by software performance limitations. DistributedFBA.jl is a high-level, high-performance, open-source implementation of flux balance analysis in Julia. It is tailored to solve multiple flux balance analyses on a subset or all the reactions of large and huge-scale networks, on any number of threads or nodes. DistributedFBA.jl is a high-level, high-performance, open-source implementation of flux balance analysis in Julia. It is tailored to solve multiple flux balance analyses on amore » subset or all the reactions of large and huge-scale networks, on any number of threads or nodes.« less

DistributedFBA.jl: High-level, high-performance flux balance analysis in Julia

DOE PAGES

Heirendt, Laurent; Thiele, Ines; Fleming, Ronan M. T.

2017-01-16

Flux balance analysis and its variants are widely used methods for predicting steady-state reaction rates in biochemical reaction networks. The exploration of high dimensional networks with such methods is currently hampered by software performance limitations. DistributedFBA.jl is a high-level, high-performance, open-source implementation of flux balance analysis in Julia. It is tailored to solve multiple flux balance analyses on a subset or all the reactions of large and huge-scale networks, on any number of threads or nodes. DistributedFBA.jl is a high-level, high-performance, open-source implementation of flux balance analysis in Julia. It is tailored to solve multiple flux balance analyses on amore » subset or all the reactions of large and huge-scale networks, on any number of threads or nodes.« less

Making Sense of 'Big Data' in Provenance Studies

NASA Astrophysics Data System (ADS)

Vermeesch, P.

2014-12-01

Huge online databases can be 'mined' to reveal previously hidden trends and relationships in society. One could argue that sedimentary geology has entered a similar era of 'Big Data', as modern provenance studies routinely apply multiple proxies to dozens of samples. Just like the Internet, sedimentary geology now requires specialised statistical tools to interpret such large datasets. These can be organised on three levels of progressively higher order:A single sample: The most effective way to reveal the provenance information contained in a representative sample of detrital zircon U-Pb ages are probability density estimators such as histograms and kernel density estimates. The widely popular 'probability density plots' implemented in IsoPlot and AgeDisplay compound analytical uncertainty with geological scatter and are therefore invalid.Several samples: Multi-panel diagrams comprising many detrital age distributions or compositional pie charts quickly become unwieldy and uninterpretable. For example, if there are N samples in a study, then the number of pairwise comparisons between samples increases quadratically as N(N-1)/2. This is simply too much information for the human eye to process. To solve this problem, it is necessary to (a) express the 'distance' between two samples as a simple scalar and (b) combine all N(N-1)/2 such values in a single two-dimensional 'map', grouping similar and pulling apart dissimilar samples. This can be easily achieved using simple statistics-based dissimilarity measures and a standard statistical method called Multidimensional Scaling (MDS).Several methods: Suppose that we use four provenance proxies: bulk petrography, chemistry, heavy minerals and detrital geochronology. This will result in four MDS maps, each of which likely show slightly different trends and patterns. To deal with such cases, it may be useful to use a related technique called 'three way multidimensional scaling'. This results in two graphical outputs: an MDS map, and a map with 'weights' showing to what extent the different provenance proxies influence the horizontal and vertical axis of the MDS map. Thus, detrital data can not only inform the user about the provenance of sediments, but also about the causal relationships between the mineralogy, geochronology and chemistry.

A collection of edge-based elements

NASA Technical Reports Server (NTRS)

Kempel, Leo C.; Volakis, John L.

1992-01-01

Edge-based elements have proved useful in solving electromagnetic problems since they are nondivergent. Previous authors have presented several two and three dimensional elements. Herein, we present four types of elements which are suitable for modeling several types of three dimensional geometries. Distorted brick and triangular prism elements are given in cartesian coordinates as well as the specialized cylindrical shell and pie-shaped prism elements which are suitable for problems best described in polar cylindrical coordinates.

Discontinuous finite element method for vector radiative transfer

NASA Astrophysics Data System (ADS)

Wang, Cun-Hai; Yi, Hong-Liang; Tan, He-Ping

2017-03-01

The discontinuous finite element method (DFEM) is applied to solve the vector radiative transfer in participating media. The derivation in a discrete form of the vector radiation governing equations is presented, in which the angular space is discretized by the discrete-ordinates approach with a local refined modification, and the spatial domain is discretized into finite non-overlapped discontinuous elements. The elements in the whole solution domain are connected by modelling the boundary numerical flux between adjacent elements, which makes the DFEM numerically stable for solving radiative transfer equations. Several various problems of vector radiative transfer are tested to verify the performance of the developed DFEM, including vector radiative transfer in a one-dimensional parallel slab containing a Mie/Rayleigh/strong forward scattering medium and a two-dimensional square medium. The fact that DFEM results agree very well with the benchmark solutions in published references shows that the developed DFEM in this paper is accurate and effective for solving vector radiative transfer problems.

Solution of two-body relativistic bound state equations with confining plus Coulomb interactions

NASA Technical Reports Server (NTRS)

Maung, Khin Maung; Kahana, David E.; Norbury, John W.

1992-01-01

Studies of meson spectroscopy have often employed a nonrelativistic Coulomb plus Linear Confining potential in position space. However, because the quarks in mesons move at an appreciable fraction of the speed of light, it is necessary to use a relativistic treatment of the bound state problem. Such a treatment is most easily carried out in momentum space. However, the position space Linear and Coulomb potentials lead to singular kernels in momentum space. Using a subtraction procedure we show how to remove these singularities exactly and thereby solve the Schroedinger equation in momentum space for all partial waves. Furthermore, we generalize the Linear and Coulomb potentials to relativistic kernels in four dimensional momentum space. Again we use a subtraction procedure to remove the relativistic singularities exactly for all partial waves. This enables us to solve three dimensional reductions of the Bethe-Salpeter equation. We solve six such equations for Coulomb plus Confining interactions for all partial waves.

One shot methods for optimal control of distributed parameter systems 1: Finite dimensional control

NASA Technical Reports Server (NTRS)

Taasan, Shlomo

1991-01-01

The efficient numerical treatment of optimal control problems governed by elliptic partial differential equations (PDEs) and systems of elliptic PDEs, where the control is finite dimensional is discussed. Distributed control as well as boundary control cases are discussed. The main characteristic of the new methods is that they are designed to solve the full optimization problem directly, rather than accelerating a descent method by an efficient multigrid solver for the equations involved. The methods use the adjoint state in order to achieve efficient smoother and a robust coarsening strategy. The main idea is the treatment of the control variables on appropriate scales, i.e., control variables that correspond to smooth functions are solved for on coarse grids depending on the smoothness of these functions. Solution of the control problems is achieved with the cost of solving the constraint equations about two to three times (by a multigrid solver). Numerical examples demonstrate the effectiveness of the method proposed in distributed control case, pointwise control and boundary control problems.

Robust L1-norm two-dimensional linear discriminant analysis.

PubMed

Li, Chun-Na; Shao, Yuan-Hai; Deng, Nai-Yang

2015-05-01

In this paper, we propose an L1-norm two-dimensional linear discriminant analysis (L1-2DLDA) with robust performance. Different from the conventional two-dimensional linear discriminant analysis with L2-norm (L2-2DLDA), where the optimization problem is transferred to a generalized eigenvalue problem, the optimization problem in our L1-2DLDA is solved by a simple justifiable iterative technique, and its convergence is guaranteed. Compared with L2-2DLDA, our L1-2DLDA is more robust to outliers and noises since the L1-norm is used. This is supported by our preliminary experiments on toy example and face datasets, which show the improvement of our L1-2DLDA over L2-2DLDA. Copyright © 2015 Elsevier Ltd. All rights reserved.

N-S/DSMC hybrid simulation of hypersonic flow over blunt body including wakes

NASA Astrophysics Data System (ADS)

Li, Zhonghua; Li, Zhihui; Li, Haiyan; Yang, Yanguang; Jiang, Xinyu

2014-12-01

A hybrid N-S/DSMC method is presented and applied to solve the three-dimensional hypersonic transitional flows by employing the MPC (modular Particle-Continuum) technique based on the N-S and the DSMC method. A sub-relax technique is adopted to deal with information transfer between the N-S and the DSMC. The hypersonic flows over a 70-deg spherically blunted cone under different Kn numbers are simulated using the CFD, DSMC and hybrid N-S/DSMC method. The present computations are found in good agreement with DSMC and experimental results. The present method provides an efficient way to predict the hypersonic aerodynamics in near-continuum transitional flow regime.

Coping, problem solving, depression, and health-related quality of life in patients receiving outpatient stroke rehabilitation.

PubMed

Visser, Marieke M; Heijenbrok-Kal, Majanka H; Spijker, Adriaan Van't; Oostra, Kristine M; Busschbach, Jan J; Ribbers, Gerard M

2015-08-01

To investigate whether patients with high and low depression scores after stroke use different coping strategies and problem-solving skills and whether these variables are related to psychosocial health-related quality of life (HRQOL) independent of depression. Cross-sectional study. Two rehabilitation centers. Patients participating in outpatient stroke rehabilitation (N=166; mean age, 53.06±10.19y; 53% men; median time poststroke, 7.29mo). Not applicable. Coping strategy was measured using the Coping Inventory for Stressful Situations; problem-solving skills were measured using the Social Problem Solving Inventory-Revised: Short Form; depression was assessed using the Center for Epidemiologic Studies Depression Scale; and HRQOL was measured using the five-level EuroQol five-dimensional questionnaire and the Stroke-Specific Quality of Life Scale. Independent samples t tests and multivariable regression analyses, adjusted for patient characteristics, were performed. Compared with patients with low depression scores, patients with high depression scores used less positive problem orientation (P=.002) and emotion-oriented coping (P<.001) and more negative problem orientation (P<.001) and avoidance style (P<.001). Depression score was related to all domains of both general HRQOL (visual analog scale: β=-.679; P<.001; utility: β=-.009; P<.001) and stroke-specific HRQOL (physical HRQOL: β=-.020; P=.001; psychosocial HRQOL: β=-.054, P<.001; total HRQOL: β=-.037; P<.001). Positive problem orientation was independently related to psychosocial HRQOL (β=.086; P=.018) and total HRQOL (β=.058; P=.031). Patients with high depression scores use different coping strategies and problem-solving skills than do patients with low depression scores. Independent of depression, positive problem-solving skills appear to be most significantly related to better HRQOL. Copyright © 2015 American Congress of Rehabilitation Medicine. Published by Elsevier Inc. All rights reserved.

Synthesis, structure determination and properties of MIL-53as and MIL-53ht: the first CrIII hybrid inorganic-organic microporous solids: CrIII(OH).(O2C-C6H4-CO2).(HO2C-C6H4-CO2H)x.

PubMed

Millange, Franck; Serre, Christian; Férey, Gérard

2002-04-21

The first three-dimensional chromium(III) dicarboxylate compounds have been isolated and their structures solved from powder X-ray diffraction data; the flexible framework of these materials delimits large pores.

Zinc Sulphide Overlayer Two-Dimensional Photonic Crystal for Enhanced Extraction of Light from a Micro Cavity Light-Emitting Diode

NASA Astrophysics Data System (ADS)

Mastro, Michael A.; Kim, Chul Soo; Kim, Mijin; Caldwell, Josh; Holm, Ron T.; Vurgaftman, Igor; Kim, Jihyun; Eddy, Charles R., Jr.; Meyer, Jerry R.

2008-10-01

A two-dimensional (2D) ZnS photonic crystal was deposited on the surface of a one-dimensional (1D) III-nitride micro cavity light-emitting diode (LED), to intermix the light extraction features of both structures (1D+2D). The deposition of an ideal micro-cavity optical thickness of ≈λ/2 is impractical for III-nitride LEDs, and in realistic multi-mode devices a large fraction of the light is lost to internal refraction as guided light. Therefore, a 2D photonic crystal on the surface of the LED was used to diffract and thus redirect this guided light out of the semiconductor over several hundred microns. Additionally, the employment of a post-epitaxy ZnS 2D photonic crystal avoided the typical etching into the GaN:Mg contact layer, a procedure which can cause damage to the near surface.

Fast global image smoothing based on weighted least squares.

PubMed

Min, Dongbo; Choi, Sunghwan; Lu, Jiangbo; Ham, Bumsub; Sohn, Kwanghoon; Do, Minh N

2014-12-01

This paper presents an efficient technique for performing a spatially inhomogeneous edge-preserving image smoothing, called fast global smoother. Focusing on sparse Laplacian matrices consisting of a data term and a prior term (typically defined using four or eight neighbors for 2D image), our approach efficiently solves such global objective functions. In particular, we approximate the solution of the memory-and computation-intensive large linear system, defined over a d-dimensional spatial domain, by solving a sequence of 1D subsystems. Our separable implementation enables applying a linear-time tridiagonal matrix algorithm to solve d three-point Laplacian matrices iteratively. Our approach combines the best of two paradigms, i.e., efficient edge-preserving filters and optimization-based smoothing. Our method has a comparable runtime to the fast edge-preserving filters, but its global optimization formulation overcomes many limitations of the local filtering approaches. Our method also achieves high-quality results as the state-of-the-art optimization-based techniques, but runs ∼10-30 times faster. Besides, considering the flexibility in defining an objective function, we further propose generalized fast algorithms that perform Lγ norm smoothing (0 < γ < 2) and support an aggregated (robust) data term for handling imprecise data constraints. We demonstrate the effectiveness and efficiency of our techniques in a range of image processing and computer graphics applications.

Diffusive and localization behavior of electromagnetic waves in a two-dimensional random medium

NASA Astrophysics Data System (ADS)

Wang, Ken Kang-Hsin; Ye, Zhen

2003-10-01

In this paper, we discuss the transport phenomena of electromagnetic waves in a two-dimensional random system which is composed of arrays of electrical dipoles, following the model presented earlier by Erdogan et al. [J. Opt. Soc. Am. B 10, 391 (1993)]. A set of self-consistent equations is presented, accounting for the multiple scattering in the system, and is then solved numerically. A strong localization regime is discovered in the frequency domain. The transport properties within, near the edge of, and nearly outside the localization regime are investigated for different parameters such as filling factor and system size. The results show that within the localization regime, waves are trapped near the transmitting source. Meanwhile, the diffusive waves follow an intuitive but expected picture. That is, they increase with traveling path as more and more random scattering incurs, followed by a saturation, then start to decay exponentially when the travelling path is large enough, signifying the localization effect. For the cases where the frequencies are near the boundary of or outside the localization regime, the results of diffusive waves are compared with the diffusion approximation, showing less encouraging agreement as in other systems [Asatryan et al., Phys. Rev. E 67, 036605 (2003)].

One-dimensional model of inertial pumping

NASA Astrophysics Data System (ADS)

Kornilovitch, Pavel E.; Govyadinov, Alexander N.; Markel, David P.; Torniainen, Erik D.

2013-02-01

A one-dimensional model of inertial pumping is introduced and solved. The pump is driven by a high-pressure vapor bubble generated by a microheater positioned asymmetrically in a microchannel. The bubble is approximated as a short-term impulse delivered to the two fluidic columns inside the channel. Fluid dynamics is described by a Newton-like equation with a variable mass, but without the mass derivative term. Because of smaller inertia, the short column refills the channel faster and accumulates a larger mechanical momentum. After bubble collapse the total fluid momentum is nonzero, resulting in a net flow. Two different versions of the model are analyzed in detail, analytically and numerically. In the symmetrical model, the pressure at the channel-reservoir connection plane is assumed constant, whereas in the asymmetrical model it is reduced by a Bernoulli term. For low and intermediate vapor bubble pressures, both models predict the existence of an optimal microheater location. The predicted net flow in the asymmetrical model is smaller by a factor of about 2. For unphysically large vapor pressures, the asymmetrical model predicts saturation of the effect, while in the symmetrical model net flow increases indefinitely. Pumping is reduced by nonzero viscosity, but to a different degree depending on the microheater location.

One-dimensional model of inertial pumping.

PubMed

Kornilovitch, Pavel E; Govyadinov, Alexander N; Markel, David P; Torniainen, Erik D

2013-02-01

A one-dimensional model of inertial pumping is introduced and solved. The pump is driven by a high-pressure vapor bubble generated by a microheater positioned asymmetrically in a microchannel. The bubble is approximated as a short-term impulse delivered to the two fluidic columns inside the channel. Fluid dynamics is described by a Newton-like equation with a variable mass, but without the mass derivative term. Because of smaller inertia, the short column refills the channel faster and accumulates a larger mechanical momentum. After bubble collapse the total fluid momentum is nonzero, resulting in a net flow. Two different versions of the model are analyzed in detail, analytically and numerically. In the symmetrical model, the pressure at the channel-reservoir connection plane is assumed constant, whereas in the asymmetrical model it is reduced by a Bernoulli term. For low and intermediate vapor bubble pressures, both models predict the existence of an optimal microheater location. The predicted net flow in the asymmetrical model is smaller by a factor of about 2. For unphysically large vapor pressures, the asymmetrical model predicts saturation of the effect, while in the symmetrical model net flow increases indefinitely. Pumping is reduced by nonzero viscosity, but to a different degree depending on the microheater location.

A Computationally Efficient Parallel Levenberg-Marquardt Algorithm for Large-Scale Big-Data Inversion

NASA Astrophysics Data System (ADS)

Lin, Y.; O'Malley, D.; Vesselinov, V. V.

2015-12-01

Inverse modeling seeks model parameters given a set of observed state variables. However, for many practical problems due to the facts that the observed data sets are often large and model parameters are often numerous, conventional methods for solving the inverse modeling can be computationally expensive. We have developed a new, computationally-efficient Levenberg-Marquardt method for solving large-scale inverse modeling. Levenberg-Marquardt methods require the solution of a dense linear system of equations which can be prohibitively expensive to compute for large-scale inverse problems. Our novel method projects the original large-scale linear problem down to a Krylov subspace, such that the dimensionality of the measurements can be significantly reduced. Furthermore, instead of solving the linear system for every Levenberg-Marquardt damping parameter, we store the Krylov subspace computed when solving the first damping parameter and recycle it for all the following damping parameters. The efficiency of our new inverse modeling algorithm is significantly improved by using these computational techniques. We apply this new inverse modeling method to invert for a random transitivity field. Our algorithm is fast enough to solve for the distributed model parameters (transitivity) at each computational node in the model domain. The inversion is also aided by the use regularization techniques. The algorithm is coded in Julia and implemented in the MADS computational framework (http://mads.lanl.gov). Julia is an advanced high-level scientific programing language that allows for efficient memory management and utilization of high-performance computational resources. By comparing with a Levenberg-Marquardt method using standard linear inversion techniques, our Levenberg-Marquardt method yields speed-up ratio of 15 in a multi-core computational environment and a speed-up ratio of 45 in a single-core computational environment. Therefore, our new inverse modeling method is a powerful tool for large-scale applications.

Multicritical points of the O(N) scalar theory in 2 < d < 4 for large N

NASA Astrophysics Data System (ADS)

Katsis, A.; Tetradis, N.

2018-05-01

We solve analytically the renormalization-group equation for the potential of the O (N)-symmetric scalar theory in the large-N limit and in dimensions 2 < d < 4, in order to look for nonperturbative fixed points that were found numerically in a recent study. We find new real solutions with singularities in the higher derivatives of the potential at its minimum, and complex solutions with branch cuts along the negative real axis.

p -wave superconductivity in weakly repulsive 2D Hubbard model with Zeeman splitting and weak Rashba spin-orbit coupling

NASA Astrophysics Data System (ADS)

Hugdal, Henning G.; Sudbø, Asle

2018-01-01

We study the superconducting order in a two-dimensional square lattice Hubbard model with weak repulsive interactions, subject to a Zeeman field and weak Rashba spin-orbit interactions. Diagonalizing the noninteracting Hamiltonian leads to two separate bands, and by deriving an effective low-energy interaction we find the mean field gap equations for the superconducting order parameter on the bands. Solving the gap equations just below the critical temperature, we find that superconductivity is caused by Kohn-Luttinger-type interaction, while the pairing symmetry of the bands is indirectly affected by the spin-orbit coupling. The dominating attractive momentum channel of the Kohn-Luttinger term depends on the filling fraction n of the system, and it is therefore possible to change the momentum dependence of the order parameter by tuning n . Moreover, n also determines which band has the highest critical temperature. Rotating the magnetic field changes the momentum dependence from states that for small momenta reduce to a chiral px±i py type state for out-of-plane fields, to a nodal p -wave-type state for purely in-plane fields.

User's guide for NASCRIN: A vectorized code for calculating two-dimensional supersonic internal flow fields

NASA Technical Reports Server (NTRS)

Kumar, A.

1984-01-01

A computer program NASCRIN has been developed for analyzing two-dimensional flow fields in high-speed inlets. It solves the two-dimensional Euler or Navier-Stokes equations in conservation form by an explicit, two-step finite-difference method. An explicit-implicit method can also be used at the user's discretion for viscous flow calculations. For turbulent flow, an algebraic, two-layer eddy-viscosity model is used. The code is operational on the CDC CYBER 203 computer system and is highly vectorized to take full advantage of the vector-processing capability of the system. It is highly user oriented and is structured in such a way that for most supersonic flow problems, the user has to make only a few changes. Although the code is primarily written for supersonic internal flow, it can be used with suitable changes in the boundary conditions for a variety of other problems.

Two-boundary grid generation for the solution of the three dimensional compressible Navier-Stokes equations. Ph.D. Thesis - Old Dominion Univ.

NASA Technical Reports Server (NTRS)

Smith, R. E.

1981-01-01

A grid generation technique called the two boundary technique is developed and applied for the solution of the three dimensional Navier-Stokes equations. The Navier-Stokes equations are transformed from a cartesian coordinate system to a computational coordinate system, and the grid generation technique provides the Jacobian matrix describing the transformation. The two boundary technique is based on algebraically defining two distinct boundaries of a flow domain and the distribution of the grid is achieved by applying functions to the uniform computational grid which redistribute the computational independent variables and consequently concentrate or disperse the grid points in the physical domain. The Navier-Stokes equations are solved using a MacCormack time-split technique. Grids and supersonic laminar flow solutions are obtained for a family of three dimensional corners and two spike-nosed bodies.

A two-dimensional ZnII coordination polymer constructed from benzene-1,2,3-tricarboxylic acid and N,N'-bis[(pyridin-4-yl)methylidene]hydrazine.

PubMed

Wang, Xiangfei; Yang, Fang; Tang, Meng; Yuan, Limin; Liu, Wenlong

2015-07-01

The hydrothermal synthesis of the novel complex poly[aqua(μ4-benzene-1,2,3-tricarboxylato)[μ2-4,4'-(hydrazine-1,2-diylidenedimethanylylidene)dipyridine](μ3-hydroxido)dizinc(II)], [Zn(C9H3O6)(OH)(C12H10N4)(H2O)]n, is described. The benzene-1,2,3-tricarboxylate ligand connects neighbouring Zn4(OH)2 secondary building units (SBUs) producing an infinite one-dimensional chain. Adjacent one-dimensional chains are connected by the N,N'-bis[(pyridin-4-yl)methylidene]hydrazine ligand, forming a two-dimensional layered structure. Adjacent layers are stacked to generate a three-dimensional supramolecular architecture via O-H...O hydrogen-bond interactions. The thermal stability of this complex is described and the complex also appears to have potential for application as a luminescent material.

Flow adjustment inside homogeneous canopies after a leading edge – An analytical approach backed by LES

DOE PAGES

Kroniger, Konstantin; Banerjee, Tirtha; De Roo, Frederik; ...

2017-10-06

A two-dimensional analytical model for describing the mean flow behavior inside a vegetation canopy after a leading edge in neutral conditions was developed and tested by means of large eddy simulations (LES) employing the LES code PALM. The analytical model is developed for the region directly after the canopy edge, the adjustment region, where one-dimensional canopy models fail due to the sharp change in roughness. The derivation of this adjustment region model is based on an analytic solution of the two-dimensional Reynolds averaged Navier–Stokes equation in neutral conditions for a canopy with constant plant area density (PAD). The main assumptionsmore » for solving the governing equations are separability of the velocity components concerning the spatial variables and the neglection of the Reynolds stress gradients. These two assumptions are verified by means of LES. To determine the emerging model parameters, a simultaneous fitting scheme was applied to the velocity and pressure data of a reference LES simulation. Furthermore a sensitivity analysis of the adjustment region model, equipped with the previously calculated parameters, was performed varying the three relevant length, the canopy height ( h), the canopy length and the adjustment length ( Lc), in additional LES. Even if the model parameters are, in general, functions of h/ Lc, it was found out that the model is capable of predicting the flow quantities in various cases, when using constant parameters. Subsequently the adjustment region model is combined with the one-dimensional model of Massman, which is applicable for the interior of the canopy, to attain an analytical model capable of describing the mean flow for the full canopy domain. As a result, the model is tested against an analytical model based on a linearization approach.« less

Flow adjustment inside homogeneous canopies after a leading edge – An analytical approach backed by LES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kroniger, Konstantin; Banerjee, Tirtha; De Roo, Frederik

A two-dimensional analytical model for describing the mean flow behavior inside a vegetation canopy after a leading edge in neutral conditions was developed and tested by means of large eddy simulations (LES) employing the LES code PALM. The analytical model is developed for the region directly after the canopy edge, the adjustment region, where one-dimensional canopy models fail due to the sharp change in roughness. The derivation of this adjustment region model is based on an analytic solution of the two-dimensional Reynolds averaged Navier–Stokes equation in neutral conditions for a canopy with constant plant area density (PAD). The main assumptionsmore » for solving the governing equations are separability of the velocity components concerning the spatial variables and the neglection of the Reynolds stress gradients. These two assumptions are verified by means of LES. To determine the emerging model parameters, a simultaneous fitting scheme was applied to the velocity and pressure data of a reference LES simulation. Furthermore a sensitivity analysis of the adjustment region model, equipped with the previously calculated parameters, was performed varying the three relevant length, the canopy height ( h), the canopy length and the adjustment length ( Lc), in additional LES. Even if the model parameters are, in general, functions of h/ Lc, it was found out that the model is capable of predicting the flow quantities in various cases, when using constant parameters. Subsequently the adjustment region model is combined with the one-dimensional model of Massman, which is applicable for the interior of the canopy, to attain an analytical model capable of describing the mean flow for the full canopy domain. As a result, the model is tested against an analytical model based on a linearization approach.« less

Distributed memory approaches for robotic neural controllers

NASA Technical Reports Server (NTRS)

Jorgensen, Charles C.

1990-01-01

The suitability is explored of two varieties of distributed memory neutral networks as trainable controllers for a simulated robotics task. The task requires that two cameras observe an arbitrary target point in space. Coordinates of the target on the camera image planes are passed to a neural controller which must learn to solve the inverse kinematics of a manipulator with one revolute and two prismatic joints. Two new network designs are evaluated. The first, radial basis sparse distributed memory (RBSDM), approximates functional mappings as sums of multivariate gaussians centered around previously learned patterns. The second network types involved variations of Adaptive Vector Quantizers or Self Organizing Maps. In these networks, random N dimensional points are given local connectivities. They are then exposed to training patterns and readjust their locations based on a nearest neighbor rule. Both approaches are tested based on their ability to interpolate manipulator joint coordinates for simulated arm movement while simultaneously performing stereo fusion of the camera data. Comparisons are made with classical k-nearest neighbor pattern recognition techniques.

Superuniversal transport near a (2 +1 ) -dimensional quantum critical point

NASA Astrophysics Data System (ADS)

Rose, F.; Dupuis, N.

2017-09-01

We compute the zero-temperature conductivity in the two-dimensional quantum O (N ) model using a nonperturbative functional renormalization-group approach. At the quantum critical point we find a universal conductivity σ*/σQ (with σQ=q2/h the quantum of conductance and q the charge) in reasonable quantitative agreement with quantum Monte Carlo simulations and conformal bootstrap results. In the ordered phase the conductivity tensor is defined, when N ≥3 , by two independent elements, σA(ω ) and σB(ω ) , respectively associated with SO (N ) rotations which do and do not change the direction of the order parameter. Whereas σA(ω →0 ) corresponds to the response of a superfluid (or perfect inductance), the numerical solution of the flow equations shows that limω→0σB(ω ) /σQ=σB*/σQ is a superuniversal (i.e., N -independent) constant. These numerical results, as well as the known exact value σB*/σQ=π /8 in the large-N limit, allow us to conjecture that σB*/σQ=π /8 holds for all values of N , a result that can be understood as a consequence of gauge invariance and asymptotic freedom of the Goldstone bosons in the low-energy limit.

REVIEWS OF TOPICAL PROBLEMS Rotational explosion mechanism for collapsing supernovae and the two-stage neutrino signal from supernova 1987A in the Large Magellanic Cloud

NASA Astrophysics Data System (ADS)

Imshennik, Vladimir S.

2011-02-01

The two-stage (double) signal produced by the outburst of the close supernova (SN) in the Large Magellanic Cloud, which started on and involved two neutrino signals during the night of 23 February 1987 UT, is theoretically interpreted in terms of a scenario of rotationally exploding collapsing SNs, to whose class the outburst undoubtedly belongs. This scenario consists of a set of hydrodynamic and kinetic models in which key results are obtained by numerically solving non-one-dimensional and nonstationary problems. Of vital importance in this context is the inclusion of rotation effects, their role being particularly significant precisely in terms of the question of the transformation of the original collapse of the presupernova iron core to the explosion of the SN shell, with an energy release on a familiar scale of 1051 erg. The collapse in itself leads to the birth of neutron stars (black holes) emitting neutrino and gravitational radiation signals of gigantic intensity, whose total energy significantly (by a factor of hundreds) exceeds the above-cited SN burst energy. The proposed rotational scenario is described briefly by artificially dividing it into three (or four) characteristic stages. This division is dictated by the physical meaning of the chain of events a rotating iron core of a sufficiently massive (more than 10M) star triggers when it collapses. An attempt is made to quantitatively describe the properties of the associated neutrino and gravitational radiations. The review highlights the interpretation of the two-stage neutrino signal from SN 1987A, a problem which, given the present status of theoretical astrophysics, cannot, in the author's view, be solved without including rotation effects.

Correlated diffusion of colloidal particles near a liquid-liquid interface.

PubMed

Zhang, Wei; Chen, Song; Li, Na; Zhang, Jia Zheng; Chen, Wei

2014-01-01

Optical microscopy and multi-particle tracking are used to investigate the cross-correlated diffusion of quasi two-dimensional colloidal particles near an oil-water interface. The behaviors of the correlated diffusion along longitudinal and transverse direction are asymmetric. It is shown that the characteristic length for longitudinal and transverse correlated diffusion are particle diameter d and the distance z from particle center to the interface, respectively, for large particle separation z. The longitudinal and transverse correlated diffusion coefficient D||(r) and D[perpendicular](r) are independent of the colloidal area fraction n when n < 0.3, which indicates that the hydrodynamic interactions(HIs) among the particles are dominated by HIs through the surrounding fluid for small n. For high area fraction n > 0.4 the power law exponent for the spatial decay of [Formula: see text] begins to decrease, which suggests the HIs are more contributed from the 2D particle monolayer self for large n.

Design of an image encryption scheme based on a multiple chaotic map

NASA Astrophysics Data System (ADS)

Tong, Xiao-Jun

2013-07-01

In order to solve the problem that chaos is degenerated in limited computer precision and Cat map is the small key space, this paper presents a chaotic map based on topological conjugacy and the chaotic characteristics are proved by Devaney definition. In order to produce a large key space, a Cat map named block Cat map is also designed for permutation process based on multiple-dimensional chaotic maps. The image encryption algorithm is based on permutation-substitution, and each key is controlled by different chaotic maps. The entropy analysis, differential analysis, weak-keys analysis, statistical analysis, cipher random analysis, and cipher sensibility analysis depending on key and plaintext are introduced to test the security of the new image encryption scheme. Through the comparison to the proposed scheme with AES, DES and Logistic encryption methods, we come to the conclusion that the image encryption method solves the problem of low precision of one dimensional chaotic function and has higher speed and higher security.

Side effects of problem-solving strategies in large-scale nutrition science: towards a diversification of health.

PubMed

Penders, Bart; Vos, Rein; Horstman, Klasien

2009-11-01

Solving complex problems in large-scale research programmes requires cooperation and division of labour. Simultaneously, large-scale problem solving also gives rise to unintended side effects. Based upon 5 years of researching two large-scale nutrigenomic research programmes, we argue that problems are fragmented in order to be solved. These sub-problems are given priority for practical reasons and in the process of solving them, various changes are introduced in each sub-problem. Combined with additional diversity as a result of interdisciplinarity, this makes reassembling the original and overall goal of the research programme less likely. In the case of nutrigenomics and health, this produces a diversification of health. As a result, the public health goal of contemporary nutrition science is not reached in the large-scale research programmes we studied. Large-scale research programmes are very successful in producing scientific publications and new knowledge; however, in reaching their political goals they often are less successful.

A memory-efficient staining algorithm in 3D seismic modelling and imaging

NASA Astrophysics Data System (ADS)

Jia, Xiaofeng; Yang, Lu

2017-08-01

The staining algorithm has been proven to generate high signal-to-noise ratio (S/N) images in poorly illuminated areas in two-dimensional cases. In the staining algorithm, the stained wavefield relevant to the target area and the regular source wavefield forward propagate synchronously. Cross-correlating these two wavefields with the backward propagated receiver wavefield separately, we obtain two images: the local image of the target area and the conventional reverse time migration (RTM) image. This imaging process costs massive computer memory for wavefield storage, especially in large scale three-dimensional cases. To make the staining algorithm applicable to three-dimensional RTM, we develop a method to implement the staining algorithm in three-dimensional acoustic modelling in a standard staggered grid finite difference (FD) scheme. The implementation is adaptive to the order of spatial accuracy of the FD operator. The method can be applied to elastic, electromagnetic, and other wave equations. Taking the memory requirement into account, we adopt a random boundary condition (RBC) to backward extrapolate the receiver wavefield and reconstruct it by reverse propagation using the final wavefield snapshot only. Meanwhile, we forward simulate the stained wavefield and source wavefield simultaneously using the nearly perfectly matched layer (NPML) boundary condition. Experiments on a complex geologic model indicate that the RBC-NPML collaborative strategy not only minimizes the memory consumption but also guarantees high quality imaging results. We apply the staining algorithm to three-dimensional RTM via the proposed strategy. Numerical results show that our staining algorithm can produce high S/N images in the target areas with other structures effectively muted.

Three-Dimensional, Ten-Moment, Two-Fluid Simulation of the Solar Wind Interaction with Mercury

NASA Astrophysics Data System (ADS)

Dong, C. F.; Wang, L.; Hakim, A.; Bhattacharjee, A.; Germaschewski, K.; DiBraccio, G. A.

2018-05-01

We investigate solar wind interaction with Mercury’s magnetosphere by using Gkeyll ten-moment multifluid code that solves the continuity, momentum, and pressure tensor equations of both protons and electrons, as well as the full Maxwell equations.

Adsorption of hard spheres via the non-uniform Percus-Yevick equation

NASA Astrophysics Data System (ADS)

Sokołowski, S.

We study the adsorption of hard spheres on solids interacting according to potentials whose Boltzmann functions contain a δ-function. The nonuniform Percus-Yevick equation is solved by using the method introduced by Lado to study two dimensional fluids.

Scalable direct Vlasov solver with discontinuous Galerkin method on unstructured mesh.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, J.; Ostroumov, P. N.; Mustapha, B.

2010-12-01

This paper presents the development of parallel direct Vlasov solvers with discontinuous Galerkin (DG) method for beam and plasma simulations in four dimensions. Both physical and velocity spaces are in two dimesions (2P2V) with unstructured mesh. Contrary to the standard particle-in-cell (PIC) approach for kinetic space plasma simulations, i.e., solving Vlasov-Maxwell equations, direct method has been used in this paper. There are several benefits to solving a Vlasov equation directly, such as avoiding noise associated with a finite number of particles and the capability to capture fine structure in the plasma. The most challanging part of a direct Vlasov solvermore » comes from higher dimensions, as the computational cost increases as N{sup 2d}, where d is the dimension of the physical space. Recently, due to the fast development of supercomputers, the possibility has become more realistic. Many efforts have been made to solve Vlasov equations in low dimensions before; now more interest has focused on higher dimensions. Different numerical methods have been tried so far, such as the finite difference method, Fourier Spectral method, finite volume method, and spectral element method. This paper is based on our previous efforts to use the DG method. The DG method has been proven to be very successful in solving Maxwell equations, and this paper is our first effort in applying the DG method to Vlasov equations. DG has shown several advantages, such as local mass matrix, strong stability, and easy parallelization. These are particularly suitable for Vlasov equations. Domain decomposition in high dimensions has been used for parallelization; these include a highly scalable parallel two-dimensional Poisson solver. Benchmark results have been shown and simulation results will be reported.« less

Adapting the Euler-Lagrange equation to study one-dimensional motions under the action of a constant force

NASA Astrophysics Data System (ADS)

Dias, Clenilda F.; Araújo, Maria A. S.; Carvalho-Santos, Vagson L.

2018-01-01

The Euler-Lagrange equations (ELE) are very important in the theoretical description of several physical systems. In this work we have used a simplified form of ELE to study one-dimensional motions under the action of a constant force. From the use of the definition of partial derivative, we have proposed two operators, here called mean delta operators, which may be used to solve the ELE in a simplest way. We have applied this simplification to solve three simple mechanical problems in which the particle is under the action of the gravitational field: a free fall body, the Atwood’s machine and the inclined plan. The proposed simplification can be used to introduce the lagrangian formalism in teaching classical mechanics in introductory physics courses.

Numerical solutions of 3-dimensional Navier-Stokes equations for closed bluff-bodies

NASA Technical Reports Server (NTRS)

Abolhassani, J. S.; Tiwari, S. N.

1985-01-01

The Navier-Stokes equations are solved numerically. These equations are unsteady, compressible, viscous, and three-dimensional without neglecting any terms. The time dependency of the governing equations allows the solution to progress naturally for an arbitrary initial guess to an asymptotic steady state, if one exists. The equations are transformed from physical coordinates to the computational coordinates, allowing the solution of the governing equations in a rectangular parallelepiped domain. The equations are solved by the MacCormack time-split technique which is vectorized and programmed to run on the CDc VPS 32 computer. The codes are written in 32-bit (half word) FORTRAN, which provides an approximate factor of two decreasing in computational time and doubles the memory size compared to the 54-bit word size.

Generalizations of the Toda molecule

NASA Astrophysics Data System (ADS)

Van Velthoven, W. P. G.; Bais, F. A.

1986-12-01

Finite-energy monopole solutions are constructed for the self-dual equations with spherical symmetry in an arbitrary integer graded Lie algebra. The constraint of spherical symmetry in a complex noncoordinate basis leads to a dimensional reduction. The resulting two-dimensional ( r, t) equations are of second order and furnish new generalizations of the Toda molecule equations. These are then solved by a technique which is due to Leznov and Saveliev. For time-independent solutions a further reduction is made, leading to an ansatz for all SU(2) embeddings of the Lie algebra. The regularity condition at the origin for the solutions, needed to ensure finite energy, is also solved for a special class of nonmaximal embeddings. Explicit solutions are given for the groups SU(2), SO(4), Sp(4) and SU(4).

A conservative finite difference algorithm for the unsteady transonic potential equation in generalized coordinates

NASA Technical Reports Server (NTRS)

Bridgeman, J. O.; Steger, J. L.; Caradonna, F. X.

1982-01-01

An implicit, approximate-factorization, finite-difference algorithm has been developed for the computation of unsteady, inviscid transonic flows in two and three dimensions. The computer program solves the full-potential equation in generalized coordinates in conservation-law form in order to properly capture shock-wave position and speed. A body-fitted coordinate system is employed for the simple and accurate treatment of boundary conditions on the body surface. The time-accurate algorithm is modified to a conventional ADI relaxation scheme for steady-state computations. Results from two- and three-dimensional steady and two-dimensional unsteady calculations are compared with existing methods.

Solving time-dependent two-dimensional eddy current problems

NASA Technical Reports Server (NTRS)

Lee, Min Eig; Hariharan, S. I.; Ida, Nathan

1988-01-01

Results of transient eddy current calculations are reported. For simplicity, a two-dimensional transverse magnetic field which is incident on an infinitely long conductor is considered. The conductor is assumed to be a good but not perfect conductor. The resulting problem is an interface initial boundary value problem with the boundary of the conductor being the interface. A finite difference method is used to march the solution explicitly in time. The method is shown. Treatment of appropriate radiation conditions is given special consideration. Results are validated with approximate analytic solutions. Two stringent test cases of high and low frequency incident waves are considered to validate the results.

Development of advanced Navier-Stokes solver

NASA Technical Reports Server (NTRS)

Yoon, Seokkwan

1994-01-01

The objective of research was to develop and validate new computational algorithms for solving the steady and unsteady Euler and Navier-Stokes equations. The end-products are new three-dimensional Euler and Navier-Stokes codes that are faster, more reliable, more accurate, and easier to use. The three-dimensional Euler and full/thin-layer Reynolds-averaged Navier-Stokes equations for compressible/incompressible flows are solved on structured hexahedral grids. The Baldwin-Lomax algebraic turbulence model is used for closure. The space discretization is based on a cell-centered finite-volume method augmented by a variety of numerical dissipation models with optional total variation diminishing limiters. The governing equations are integrated in time by an implicit method based on lower-upper factorization and symmetric Gauss-Seidel relaxation. The algorithm is vectorized on diagonal planes of sweep using two-dimensional indices in three dimensions. Convergence rates and the robustness of the codes are enhanced by the use of an implicit full approximation storage multigrid method.

HSTLBO: A hybrid algorithm based on Harmony Search and Teaching-Learning-Based Optimization for complex high-dimensional optimization problems

PubMed Central

Tuo, Shouheng; Yong, Longquan; Deng, Fang’an; Li, Yanhai; Lin, Yong; Lu, Qiuju

2017-01-01

Harmony Search (HS) and Teaching-Learning-Based Optimization (TLBO) as new swarm intelligent optimization algorithms have received much attention in recent years. Both of them have shown outstanding performance for solving NP-Hard optimization problems. However, they also suffer dramatic performance degradation for some complex high-dimensional optimization problems. Through a lot of experiments, we find that the HS and TLBO have strong complementarity each other. The HS has strong global exploration power but low convergence speed. Reversely, the TLBO has much fast convergence speed but it is easily trapped into local search. In this work, we propose a hybrid search algorithm named HSTLBO that merges the two algorithms together for synergistically solving complex optimization problems using a self-adaptive selection strategy. In the HSTLBO, both HS and TLBO are modified with the aim of balancing the global exploration and exploitation abilities, where the HS aims mainly to explore the unknown regions and the TLBO aims to rapidly exploit high-precision solutions in the known regions. Our experimental results demonstrate better performance and faster speed than five state-of-the-art HS variants and show better exploration power than five good TLBO variants with similar run time, which illustrates that our method is promising in solving complex high-dimensional optimization problems. The experiment on portfolio optimization problems also demonstrate that the HSTLBO is effective in solving complex read-world application. PMID:28403224

HSTLBO: A hybrid algorithm based on Harmony Search and Teaching-Learning-Based Optimization for complex high-dimensional optimization problems.

PubMed

Tuo, Shouheng; Yong, Longquan; Deng, Fang'an; Li, Yanhai; Lin, Yong; Lu, Qiuju

2017-01-01

Harmony Search (HS) and Teaching-Learning-Based Optimization (TLBO) as new swarm intelligent optimization algorithms have received much attention in recent years. Both of them have shown outstanding performance for solving NP-Hard optimization problems. However, they also suffer dramatic performance degradation for some complex high-dimensional optimization problems. Through a lot of experiments, we find that the HS and TLBO have strong complementarity each other. The HS has strong global exploration power but low convergence speed. Reversely, the TLBO has much fast convergence speed but it is easily trapped into local search. In this work, we propose a hybrid search algorithm named HSTLBO that merges the two algorithms together for synergistically solving complex optimization problems using a self-adaptive selection strategy. In the HSTLBO, both HS and TLBO are modified with the aim of balancing the global exploration and exploitation abilities, where the HS aims mainly to explore the unknown regions and the TLBO aims to rapidly exploit high-precision solutions in the known regions. Our experimental results demonstrate better performance and faster speed than five state-of-the-art HS variants and show better exploration power than five good TLBO variants with similar run time, which illustrates that our method is promising in solving complex high-dimensional optimization problems. The experiment on portfolio optimization problems also demonstrate that the HSTLBO is effective in solving complex read-world application.

Deep learning and the electronic structure problem

NASA Astrophysics Data System (ADS)

Mills, Kyle; Spanner, Michael; Tamblyn, Isaac

In the past decade, the fields of artificial intelligence and computer vision have progressed remarkably. Supported by the enthusiasm of large tech companies, as well as significant hardware advances and the utilization of graphical processing units to accelerate computations, deep neural networks (DNN) are gaining momentum as a robust choice for many diverse machine learning applications. We have demonstrated the ability of a DNN to solve a quantum mechanical eigenvalue equation directly, without the need to compute a wavefunction, and without knowledge of the underlying physics. We have trained a convolutional neural network to predict the total energy of an electron in a confining, 2-dimensional electrostatic potential. We numerically solved the one-electron Schrödinger equation for millions of electrostatic potentials, and used this as training data for our neural network. Four classes of potentials were assessed: the canonical cases of the harmonic oscillator and infinite well, and two types of randomly generated potentials for which no analytic solution is known. We compare the performance of the neural network and consider how these results could lead to future advances in electronic structure theory.

Application of augmented-Lagrangian methods in meteorology: Comparison of different conjugate-gradient codes for large-scale minimization

NASA Technical Reports Server (NTRS)

Navon, I. M.

1984-01-01

A Lagrange multiplier method using techniques developed by Bertsekas (1982) was applied to solving the problem of enforcing simultaneous conservation of the nonlinear integral invariants of the shallow water equations on a limited area domain. This application of nonlinear constrained optimization is of the large dimensional type and the conjugate gradient method was found to be the only computationally viable method for the unconstrained minimization. Several conjugate-gradient codes were tested and compared for increasing accuracy requirements. Robustness and computational efficiency were the principal criteria.

Adagio 4.20 User’s Guide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Spencer, Benjamin Whiting; Crane, Nathan K.; Heinstein, Martin W.

2011-03-01

Adagio is a Lagrangian, three-dimensional, implicit code for the analysis of solids and structures. It uses a multi-level iterative solver, which enables it to solve problems with large deformations, nonlinear material behavior, and contact. It also has a versatile library of continuum and structural elements, and an extensive library of material models. Adagio is written for parallel computing environments, and its solvers allow for scalable solutions of very large problems. Adagio uses the SIERRA Framework, which allows for coupling with other SIERRA mechanics codes. This document describes the functionality and input structure for Adagio.

Numerical methods for the inverse problem of density functional theory

DOE PAGES

Jensen, Daniel S.; Wasserman, Adam

2017-07-17

Here, the inverse problem of Kohn–Sham density functional theory (DFT) is often solved in an effort to benchmark and design approximate exchange-correlation potentials. The forward and inverse problems of DFT rely on the same equations but the numerical methods for solving each problem are substantially different. We examine both problems in this tutorial with a special emphasis on the algorithms and error analysis needed for solving the inverse problem. Two inversion methods based on partial differential equation constrained optimization and constrained variational ideas are introduced. We compare and contrast several different inversion methods applied to one-dimensional finite and periodic modelmore » systems.« less