Breakup of three particles within the adiabatic expansion method
NASA Astrophysics Data System (ADS)
Garrido, E.; Kievsky, A.; Viviani, M.
2014-07-01
General expressions for the breakup cross sections in the laboratory frame for 1+2 reactions are given in terms of the hyperspherical adiabatic basis. The three-body wave function is expanded in this basis and the corresponding hyperradial functions are obtained by solving a set of second order differential equations. The S matrix is computed by using two recently derived integral relations. Even though the method is shown to be well suited to describe 1+2 processes, there are particular configurations in the breakup channel (for example, those in which two particles move away close to each other in a relative zero-energy state) that need a huge number of basis states. This pathology manifests itself in the extremely slow convergence of the breakup amplitude in terms of the hyperspherical harmonic basis used to construct the adiabatic channels. To overcome this difficulty the breakup amplitude is extracted from an integral relation as well. For the sake of illustration, we consider neutron-deuteron scattering. The results are compared to the available benchmark calculations.
When an Adiabatic Irreversible Expansion or Compression Becomes Reversible
ERIC Educational Resources Information Center
Anacleto, Joaquim; Ferreira, J. M.; Soares, A. A.
2009-01-01
This paper aims to contribute to a better understanding of the concepts of a "reversible process" and "entropy". For this purpose, an adiabatic irreversible expansion or compression is analysed, by considering that an ideal gas is expanded (compressed), from an initial pressure P[subscript i] to a final pressure P[subscript f], by being placed in…
Plasma heating via adiabatic magnetic compression-expansion cycle
NASA Astrophysics Data System (ADS)
Avinash, K.; Sengupta, M.; Ganesh, R.
2016-06-01
Heating of collisionless plasmas in closed adiabatic magnetic cycle comprising of a quasi static compression followed by a non quasi static constrained expansion against a constant external pressure is proposed. Thermodynamic constraints are derived to show that the plasma always gains heat in cycles having at least one non quasi static process. The turbulent relaxation of the plasma to the equilibrium state at the end of the non quasi static expansion is discussed and verified via 1D Particle in Cell (PIC) simulations. Applications of this scheme to heating plasmas in open configurations (mirror machines) and closed configurations (tokamak, reverse field pinche) are discussed.
NASA Astrophysics Data System (ADS)
Kumar, Shiva; Hasegawa, Akira
1996-12-01
Properly designed adiabatic expansion of soliton reduces permanent frequency shifts of wavelength-division multiplexed solitons caused by initial overlap. The scheme combined with a dispersion-managed transmission line provides solutions to soliton wavelength-division multiplexing problems.
ERIC Educational Resources Information Center
Moore, William M.
1984-01-01
Describes the procedures and equipment for an experiment on the adiabatic expansion of gases suitable for demonstration and discussion in the physical chemical laboratory. The expansion produced shows how the process can change temperature and still return to a different location on an isotherm. (JN)
Transient Particle Energies in Shortcuts to Adiabatic Expansions of Harmonic Traps.
Cui, Yang-Yang; Chen, Xi; Muga, J G
2016-05-19
The expansion of a harmonic potential that holds a quantum particle may be realized without any final particle excitation but much faster than adiabatically via "shortcuts to adiabaticity" (STA). While ideally the process time can be reduced to zero, practical limitations and constraints impose minimal finite times for the externally controlled time-dependent frequency protocols. We examine the role of different time-averaged energies (total, kinetic, potential, nonadiabatic) and of the instantaneous power in characterizing or selecting different protocols. Specifically, we prove a virial theorem for STA processes, set minimal energies (or times) for given times (or energies), and discuss their realizability by means of Dirac impulses or otherwise. PMID:26237328
Adiabatic expansion of cosmic ray sources and the consequences for secondary antiprotons
NASA Technical Reports Server (NTRS)
Mauger, B. G.; Stephens, S. A.
1983-01-01
The low-energy antiproton flux measurement of Buffinton et al. (1981) is more than an order of magnitude higher than can be explained by interstellar production. It has been suggested that the excess antiprotons may be created by supernovae in very dense regions of ISM. These sources would provide the additional target material necessary to produce the excess cosmic ray antiprotons; in addition, adiabatic energy losses due to supernova expansion will increase the flux of low-energy antiprotons. The antiproton flux from such sources is examined here, with attention given to the energy loss effects of the adiabatic and collisional losses of both the primary and secondary cosmic ray fluxes. Ionization losses of the antiprotons are also considered.
Volume thermal expansivity for lower mantle region of earth under adiabatic condition
NASA Astrophysics Data System (ADS)
Sharma, S. K.
2013-06-01
A reciprocal equation for the volume dependence of Anderson-Grüneisen parameter has been proposed. This equation has been found to fit the seismic data for the lower mantle region of the Earth. We have developed a new expression for predicting the values of density (volume) dependence of volume thermal expansivity under adiabatic conditions based on the reciprocal equation for the volume dependence of Anderson-Grüneisen parameter. It is found that our relationship fits well the seismic data on volume thermal expansivity for lower mantle corresponding to a wide range of pressures (0-135.75 GPa). These equations thus proposed are found to be consistent with the thermodynamic constraints.
NASA Astrophysics Data System (ADS)
Riggs, Lloyd Stephen
In this work the transient currents induced on an arbitrary system of thin linear scatterers by an electromagnetic plane wave are solved by using an electric field integral equation (EFIE) formulation. The transient analysis is carried out using the singularity expansion method (SEM). The general analysis developed here is useful for assessing the vulnerability of military aircraft to a nuclear generated electromagnetic pulse (EMP). It is also useful as a modal synthesis tool in the analysis and design of frequency selective surfaces (FSS). SEM parameters for a variety of thin cylindrical geometries have been computed. Specifically, SEM poles, modes, coupling coefficients, and transient currents are given for the two and three element planar array. Poles and modes for planar arrays with a larger number (as many as eight) of identical equally spaced elements are also considered. SEM pole-mode results are given for identical parallel elements with ends located at the vertices of a regular N-agon. Pole-mode patterns are found for symmetric (and slightly perturbed) single junction N-arm elements and for the five junction Jerusalem cross. The Jerusalem cross element has been used extensively in FSS.
Quantum dynamics by the constrained adiabatic trajectory method
Leclerc, A.; Jolicard, G.; Guerin, S.; Killingbeck, J. P.
2011-03-15
We develop the constrained adiabatic trajectory method (CATM), which allows one to solve the time-dependent Schroedinger equation constraining the dynamics to a single Floquet eigenstate, as if it were adiabatic. This constrained Floquet state (CFS) is determined from the Hamiltonian modified by an artificial time-dependent absorbing potential whose forms are derived according to the initial conditions. The main advantage of this technique for practical implementation is that the CFS is easy to determine even for large systems since its corresponding eigenvalue is well isolated from the others through its imaginary part. The properties and limitations of the CATM are explored through simple examples.
Adiabatic Expansion of Supernova Remnants - an Explicit, Analytical Approximation in Two Dimensions
NASA Astrophysics Data System (ADS)
Maciejewski, W.; Shelton, R. L.; Cox, D. P.
1996-05-01
We propose a simple, analytical approximation for an adiabatic shock wave propagating in an exponentially stratified ambient medium. We aim to provide an effective tool for exploring the parameter space of 2-dimensional numerical models of supernova remnants (SNRs). We start from Kompaneets's (1960, Soviet Phys. Doklady, 5, 46) axisymmetric generalization of Sedov's spherically symmetric problem, to which he derived an implicit solution. We notice that the SNR shape in his solution can be closely approximated as an ellipsoid. In this case, an explicit solution for the size, eccentricity and expansion velocity of the remnant can be found. Our results are in excellent agreement with Kompaneets's solution, even when the ambient density varies across the remnant by factors as large as 1000. Beyond that, the blowout occurs, and Kompaneets's assumptions no longer hold. The remnant shapes are remarkably close to spherical for moderate density gradients. Using Kahn's cooling law (alpha T(-1/2) ) we derived a formula to estimate how long it takes for a cold shell to form. Even a small gradient in ambient density causes this time to vary substantially within a single remnant, so that for a period the H I shell will be only partially formed. To demonstrate how our approximation can be used, the parameter space for models of the supernova remnant W44 is explored.
Colossal Spincaloritronic Cooling by Adiabatic Spin-Entropy Expansion in Nanospintronics
NASA Astrophysics Data System (ADS)
Katayama-Yoshida, Hiroshi; Fukushima, Tetsuya; Dinh, Van An; Sato, Kazunori
2009-03-01
The exchange interactions in DMS are short ranged and can not play an important role for realizing high-TC because the solubility of magnetic impurity is too low to achieve magnetic percolation [1]. We show that spinodal nano-decomposition under layer-by-layer crystal growth condition (2D) leads to characteristic quasi-one dimensional nano-structures (Konbu- Phase) with highly anisotropic shape and high TC (> 1000K) even for low concentrations in DMS [2]. We design a spin-currents- controlled 100 Tera bits/icnh^2, Tera Hz switching, and non- volatile MRAM without Si-CMOS based on Konbu-Phase [3]. In addition to the conventional Peltier effect, we propose a colossal spincaloritronic cooling based on the adiabatic spin- entropy expansion in a Konbu-Phase (Zn,Cr)Te with very high blocking temperature (TB > 1000 K) by spinodal nano- decomposition and by nano-column of Half-Heusler NiMnSi (TC = 1050 K) [4]. [1] K. Sato et al., Phys. Rev. B70, 201202 (2004). [2] H. Katayama-Yoshida et al., Phys. stat. sol. (a) 204 (2007) 15. [3] Japanese Patent: JP3571034, US Patent: US 7,164,180 B2, EU Patent: EP 1548832A1, Taiwan Patent:1262593, Korean Patent: 0557387. [4] H. Katayama-Yoshida et al., Jpn. J. Appl. Phys. 46 (2007) L777.
ADIABATIC MASS LOSS IN BINARY STARS. I. COMPUTATIONAL METHOD
Ge Hongwei; Chen Xuefei; Han Zhanwen; Webbink, Ronald F. E-mail: mshjell@gmail.co
2010-07-10
The asymptotic response of donor stars in interacting binary systems to very rapid mass loss is characterized by adiabatic expansion throughout their interiors. In this limit, energy generation and heat flow through the stellar interior can be neglected. We model this response by constructing model sequences, beginning with a donor star filling its Roche lobe at an arbitrary point in its evolution, holding its specific entropy and composition profiles fixed as mass is removed from the surface. The stellar interior remains in hydrostatic equilibrium. Luminosity profiles in these adiabatic models of mass-losing stars can be reconstructed from the specific entropy profiles and their gradients. These approximations are validated by comparison with time-dependent binary mass transfer calculations. We describe how adiabatic mass-loss sequences can be used to quantify threshold conditions for dynamical timescale mass transfer, and to establish the range of post-common envelope binaries that are allowed energetically. In dynamical timescale mass transfer, the adiabatic response of the donor star drives it to expand beyond its Roche lobe, leading to runaway mass transfer and the formation of a common envelope with its companion star. For donor stars with surface convection zones of any significant depth, this runaway condition is encountered early in mass transfer, if at all; but for main-sequence stars with radiative envelopes, it may be encountered after a prolonged phase of thermal timescale mass transfer, a so-called delayed dynamical instability. We identify the critical binary mass ratio for the onset of dynamical timescale mass transfer as that ratio for which the adiabatic response of the donor star radius to mass loss matches that of its Roche lobe at some point during mass transfer; if the ratio of donor to accretor masses exceeds this critical value, dynamical timescale mass transfer ensues. In common envelope evolution, the dissipation of orbital energy of the
Nucleon-deuteron scattering using the adiabatic projection method
NASA Astrophysics Data System (ADS)
Elhatisari, Serdar; Lee, Dean; Meißner, Ulf-G.; Rupak, Gautam
2016-06-01
In this paper we discuss the adiabatic projection method, a general framework for scattering and reaction calculations on the lattice. We also introduce several new techniques developed to study nucleus-nucleus scattering and reactions on the lattice. We present technical details of the method for large-scale problems. To estimate the systematic errors of the calculations we consider simple two-particle scattering on the lattice. Then we benchmark the accuracy and efficiency of the numerical methods by applying these to calculate fermion-dimer scattering in lattice effective field theory with and without a long-range Coulomb potential. The fermion-dimer calculations correspond to neutron-deuteron and proton-deuteron scattering in the spin-quartet channel at leading order in the pionless effective field theory.
NASA Astrophysics Data System (ADS)
Kato, Tsuyoshi; Ide, Yoshihiro; Yamanouchi, Kaoru
2015-12-01
We first calculate the ground-state molecular wave function of 1D model H2 molecule by solving the coupled equations of motion formulated in the extended multi-configuration time-dependent Hartree-Fock (MCTDHF) method by the imaginary time propagation. From the comparisons with the results obtained by the Born-Huang (BH) expansion method as well as with the exact wave function, we observe that the memory size required in the extended MCTDHF method is about two orders of magnitude smaller than in the BH expansion method to achieve the same accuracy for the total energy. Second, in order to provide a theoretical means to understand dynamical behavior of the wave function, we propose to define effective adiabatic potential functions and compare them with the conventional adiabatic electronic potentials, although the notion of the adiabatic potentials is not used in the extended MCTDHF approach. From the comparison, we conclude that by calculating the effective potentials we may be able to predict the energy differences among electronic states even for a time-dependent system, e.g., time-dependent excitation energies, which would be difficult to be estimated within the BH expansion approach.
Kato, Tsuyoshi; Ide, Yoshihiro; Yamanouchi, Kaoru
2015-12-31
We first calculate the ground-state molecular wave function of 1D model H{sub 2} molecule by solving the coupled equations of motion formulated in the extended multi-configuration time-dependent Hartree-Fock (MCTDHF) method by the imaginary time propagation. From the comparisons with the results obtained by the Born-Huang (BH) expansion method as well as with the exact wave function, we observe that the memory size required in the extended MCTDHF method is about two orders of magnitude smaller than in the BH expansion method to achieve the same accuracy for the total energy. Second, in order to provide a theoretical means to understand dynamical behavior of the wave function, we propose to define effective adiabatic potential functions and compare them with the conventional adiabatic electronic potentials, although the notion of the adiabatic potentials is not used in the extended MCTDHF approach. From the comparison, we conclude that by calculating the effective potentials we may be able to predict the energy differences among electronic states even for a time-dependent system, e.g., time-dependent excitation energies, which would be difficult to be estimated within the BH expansion approach.
Habershon, Scott
2013-09-14
We introduce a new approach for calculating quantum time-correlation functions and time-dependent expectation values in many-body thermal systems; both electronically adiabatic and non-adiabatic cases can be treated. Our approach uses a path integral simulation to sample an initial thermal density matrix; subsequent evolution of this density matrix is equivalent to solution of the time-dependent Schrödinger equation, which we perform using a linear expansion of Gaussian wavepacket basis functions which evolve according to simple classical-like trajectories. Overall, this methodology represents a formally exact approach for calculating time-dependent quantum properties; by introducing approximations into both the imaginary-time and real-time propagations, this approach can be adapted for complex many-particle systems interacting through arbitrary potentials. We demonstrate this method for the spin Boson model, where we find good agreement with numerically exact calculations. We also discuss future directions of improvement for our approach with a view to improving accuracy and efficiency.
Egorov, A A; Sevast'yanov, L A; Sevast'yanov, A L
2014-02-28
We consider the application of the method of adiabatic waveguide modes for calculating the propagation of electromagnetic radiation in three-dimensional (3D) irregular integrated optical waveguides. The method of adiabatic modes takes into account a three-dimensional distribution of quasi-waveguide modes and explicit ('inclined') tangential boundary conditions. The possibilities of the method are demonstrated on the example of numerical research of two major elements of integrated optics: a waveguide of 'horn' type and a thin-film generalised waveguide Luneburg lens by the methods of adiabatic modes and comparative waveguides. (integral optical waveguides)
Multipole expansion method for supernova neutrino oscillations
Duan, Huaiyu; Shalgar, Shashank E-mail: shashankshalgar@unm.edu
2014-10-01
We demonstrate a multipole expansion method to calculate collective neutrino oscillations in supernovae using the neutrino bulb model. We show that it is much more efficient to solve multi-angle neutrino oscillations in multipole basis than in angle basis. The multipole expansion method also provides interesting insights into multi-angle calculations that were accomplished previously in angle basis.
Method for constructing shortcuts to adiabaticity by a substitute of counterdiabatic driving terms
NASA Astrophysics Data System (ADS)
Chen, Ye-Hong; Xia, Yan; Wu, Qi-Cheng; Huang, Bi-Hua; Song, Jie
2016-05-01
We propose an efficient method to construct shortcuts to adiabaticity through designing a substitute Hamiltonian to try to avoid the defect in which the speed-up protocols' Hamiltonian may involve terms which are difficult to realize in practice. We show that as long as the counterdiabatic coupling terms—even only some of them—have been nullified by the additional Hamiltonian, the corresponding shortcuts to the adiabatic process could be constructed and the adiabatic process would be sped up. As an application example, we apply this method to the popular Landau-Zener model for the realization of fast population inversion. The results show that in both Hermitian and non-Hermitian systems, we can design different additional Hamiltonians to replace the traditional counterdiabatic driving Hamiltonian to speed up the process. This method provides many choices for designing additional terms of the Hamiltonian such that one can choose a realizable model in practice.
NASA Astrophysics Data System (ADS)
Dupret, M.-A.; De Ridder, J.; De Cat, P.; Aerts, C.; Scuflaire, R.; Noels, A.; Thoul, A.
2003-02-01
We present an improved version of the method of photometric mode identification of Heynderickx et al. (\\cite{hey}). Our new version is based on the inclusion of precise non-adiabatic eigenfunctions determined in the outer stellar atmosphere according to the formalism recently proposed by Dupret et al. (\\cite{dup}). Our improved photometric mode identification technique is therefore no longer dependent on ad hoc parameters for the non-adiabatic effects. It contains the complete physical conditions of the outer atmosphere of the star, provided that rotation does not play a key role. We apply our method to the two slowly pulsating B stars HD 74560 and HD 138764 and to the beta Cephei star EN (16) Lac. Besides identifying the degree l of the pulsating stars, our method is also a tool for improving the knowledge of stellar interiors and atmospheres, by imposing constraints on parameters such as the metallicity and the mixing-length parameter alpha (a procedure we label non-adiabatic asteroseismology). The non-adiabatic eigenfunctions needed for the mode identification are available upon request from the authors.
Heating and cooling in adiabatic mixing process
NASA Astrophysics Data System (ADS)
Zhou, Jing; Cai, Zi; Zou, Xu-Bo; Guo, Guang-Can
2010-12-01
We study the effect of interaction on the temperature change in the process of adiabatic mixing of two components of Fermi gases using the real-space Bogoliubov-de Gennes method. We find that in the process of adiabatic mixing, the competition between the adiabatic expansion and the attractive interaction makes it possible to cool or heat the system depending on the strength of the interaction and the initial temperature of the system. The changes of the temperature in a bulk system and in a trapped system are investigated.
Method of adiabatic modes in studying problems of smoothly irregular open waveguide structures
Sevastianov, L. A.; Egorov, A. A.; Sevastyanov, A. L.
2013-02-15
Basic steps in developing an original method of adiabatic modes that makes it possible to solve the direct and inverse problems of simulating and designing three-dimensional multilayered smoothly irregular open waveguide structures are described. A new element in the method is that an approximate solution of Maxwell's equations is made to obey 'inclined' boundary conditions at the interfaces between themedia being considered. These boundary conditions take into account the obliqueness of planes tangent to nonplanar boundaries between the media and lead to new equations for coupled vector quasiwaveguide hybrid adiabatic modes. Solutions of these equations describe the phenomenon of 'entanglement' of two linear polarizations of an irregular multilayered waveguide, the appearance of a new mode in an entangled state, and the effect of rotation of the polarization plane of quasiwaveguide modes. The efficiency of the method is demonstrated by considering the example of numerically simulating a thin-film generalized waveguide Lueneburg lens.
Geroux, Chris M.; Deupree, Robert G.
2011-04-10
We are developing a three-dimensional radiation hydrodynamics code to simulate the interaction of convection and pulsation in classical variable stars. One key goal is the ability to carry these simulations to full amplitude in order to compare them with observed light and velocity curves. Previous two-dimensional calculations were prevented from doing this because of drift in the radial coordinate system, due to the algorithm defining radial movement of the coordinate system during the pulsation cycle. We remove this difficulty by defining our coordinate system flow algorithm to require that the mass in a spherical shell remains constant throughout the pulsation cycle. We perform adiabatic test calculations to show that large amplitude solutions repeat over more than 150 pulsation periods. We also verify that the computational method conserves the peak kinetic energy per period, as must be true for adiabatic pulsation models.
The method of Gaussian weighted trajectories. III. An adiabaticity correction proposal
Bonnet, L.
2008-01-28
The addition of an adiabaticity correction (AC) to the Gaussian weighted trajectory (GWT) method and its normalized version (GWT-N) is suggested. This correction simply consists in omitting vibrationally adiabatic nonreactive trajectories in the calculations of final attributes. For triatomic exchange reactions, these trajectories satisfy the criterion {omega} not much larger than ({Dirac_h}/2{pi}), where {omega} is a vibrational action defined by {omega}={integral}{sup []}-[]dt(pr-p{sub 0}r{sub 0}), r being the reagent diatom bond length, p its conjugate momentum, and r{sub 0} and p{sub 0} the corresponding variables for the unperturbed diatom ({omega}/({Dirac_h}/2{pi}) bears some analogy with the semiclassical elastic scattering phase shift). The resulting GWT-AC and GWT-ACN methods are applied to the recently studied H{sup +}+H{sub 2} and H{sup +}+D{sub 2} reactions and the agreement between their predictions and those of exact quantum scattering calculations is found to be much better than for the initial GWT and GWT-N methods. The GWT-AC method, however, appears to be the most accurate one for the processes considered, in particular, the H{sup +}+D{sub 2} reaction.
Bischoff, J.L.
1980-01-01
Pressure-volume-temperature relations for water at the depth of the magma chamber at 21°N on the East Pacific Rise suggest that the maximum subsurface temperature of the geothermal fluid is about 420°C. Both the chemistry of the discharging fluid and thermal balance considerations indicate that the effective water/rock ratios in the geothermal system are between 7 and 16. Such low ratios preclude effective metal transport at temperatures below 350°C, but metal solubilization at 400°C and above is effective even at such low ratios. It is proposed that the 420°C fluid ascends essentially adiabatically and in the process expands, cools, and precipitates metal sulfides within the upper few hundred meters of the sea floor and on the sea floor itself.
Density-functional expansion methods: Grand challenges
Giese, Timothy J.; York, Darrin M.
2016-01-01
We discuss the source of errors in semiempirical density functional expansion (VE) methods. In particular, we show that VE methods are capable of well-reproducing their standard Kohn-Sham density functional method counterparts, but suffer from large errors upon using one or more of these approximations: the limited size of the atomic orbital basis, the Slater monopole auxiliary basis description of the response density, and the one- and two-body treatment of the core-Hamiltonian matrix elements. In the process of discussing these approximations and highlighting their symptoms, we introduce a new model that supplements the second-order density-functional tight-binding model with a self-consistent charge-dependent chemical potential equalization correction; we review our recently reported method for generalizing the auxiliary basis description of the atomic orbital response density; and we decompose the first-order potential into a summation of additive atomic components and many-body corrections, and from this examination, we provide new insights and preliminary results that motivate and inspire new approximate treatments of the core-Hamiltonian. PMID:27293378
A shape optimisation method of a body located in adiabatic flows
NASA Astrophysics Data System (ADS)
Okumura, Hiroshi; Hikino, Yoichi; Kawahara, Mutsuto
2013-07-01
The purpose of this study is to derive an optimal shape of a body located in adiabatic flow. In this study, we use the equation of motion, the equation of continuity and the pressure-density relation derived from the Poisson's law as the governing equation. The formulation is based on an optimal control theory in which a performance function of fluid force is taken into consideration. The performance function should be minimised satisfying the governing equations. This problem can be solved without constraints by using the adjoint equation with adjoint variables corresponding to the state equation. The performance function is defined by the drag and lift forces acting on the body. The weighted gradient method is applied as a minimisation technique, the Galerkin finite element method is used as a spatial discretisation and the implicit scheme is used as a temporal discretisation to solve the state equations. The mixed interpolation, the bubble function for velocity and the linear function for density, is employed as the interpolation. The optimal shape is obtained for a body in adiabatic flows.
Alonso, J L; Castro, A; Clemente-Gallardo, J; Echenique, P; Mazo, J J; Polo, V; Rubio, A; Zueco, D
2012-12-14
At non-zero temperature and when a system has low-lying excited electronic states, the ground-state Born-Oppenheimer approximation breaks down and the low-lying electronic states are involved in any chemical process. In this work, we use a temperature-dependent effective potential for the nuclei which can accommodate the influence of an arbitrary number of electronic states in a simple way, while at the same time producing the correct Boltzmann equilibrium distribution for the electronic part. With the help of this effective potential, we show that thermally activated low-lying electronic states can have a significant effect in molecular properties for which electronic excitations are oftentimes ignored. We study the thermal expansion of the Manganese dimer, Mn(2), where we find that the average bond length experiences a change larger than the present experimental accuracy upon the inclusion of the excited states into the picture. We also show that, when these states are taken into account, reaction-rate constants are modified. In particular, we study the opening of the ozone molecule, O(3), and show that in this case the rate is modified as much as a 20% with respect to the ground-state Born-Oppenheimer prediction. PMID:23249070
Method of assembling a thermal expansion compensator
NASA Technical Reports Server (NTRS)
Determan, William (Inventor); Matejczyk, Daniel Edward (Inventor)
2012-01-01
A thermal expansion compensator is provided and includes a first electrode structure having a first surface, a second electrode structure having a second surface facing the first surface and an elastic element bonded to the first and second surfaces and including a conductive element by which the first and second electrode structures electrically and/or thermally communicate, the conductive element having a length that is not substantially longer than a distance between the first and second surfaces.
Generalization of the cavity method for adiabatic evolution of Gibbs states
NASA Astrophysics Data System (ADS)
Zdeborová, Lenka; Krzakala, Florent
2010-06-01
Mean-field glassy systems have a complicated energy landscape and an enormous number of different Gibbs states. In this paper, we introduce a generalization of the cavity method in order to describe the adiabatic evolution of these glassy Gibbs states as an external parameter, such as the temperature, is tuned. We give a general derivation of the method and describe in details the solution of the resulting equations for the fully connected p -spin model, the XOR-satisfiability (SAT) problem and the antiferromagnetic Potts glass (coloring problem). As direct results of the states following method we present a study of very slow Monte Carlo annealings, the demonstration of the presence of temperature chaos in these systems and the identification of an easy/hard transition for simulated annealing in constraint optimization problems. We also discuss the relation between our approach and the Franz-Parisi potential, as well as with the reconstruction problem on trees in computer science. A mapping between the states following method and the physics on the Nishimori line is also presented.
He, H.-Q.; Wan, W. E-mail: wanw@mail.iggcas.ac.cn
2012-03-01
The parallel mean free path of solar energetic particles (SEPs), which is determined by physical properties of SEPs as well as those of solar wind, is a very important parameter in space physics to study the transport of charged energetic particles in the heliosphere, especially for space weather forecasting. In space weather practice, it is necessary to find a quick approach to obtain the parallel mean free path of SEPs for a solar event. In addition, the adiabatic focusing effect caused by a spatially varying mean magnetic field in the solar system is important to the transport processes of SEPs. Recently, Shalchi presented an analytical description of the parallel diffusion coefficient with adiabatic focusing. Based on Shalchi's results, in this paper we provide a direct analytical formula as a function of parameters concerning the physical properties of SEPs and solar wind to directly and quickly determine the parallel mean free path of SEPs with adiabatic focusing. Since all of the quantities in the analytical formula can be directly observed by spacecraft, this direct method would be a very useful tool in space weather research. As applications of the direct method, we investigate the inherent relations between the parallel mean free path and various parameters concerning physical properties of SEPs and solar wind. Comparisons of parallel mean free paths with and without adiabatic focusing are also presented.
Series Expansion of Functions with He's Homotopy Perturbation Method
ERIC Educational Resources Information Center
Khattri, Sanjay Kumar
2012-01-01
Finding a series expansion, such as Taylor series, of functions is an important mathematical concept with many applications. Homotopy perturbation method (HPM) is a new, easy to use and effective tool for solving a variety of mathematical problems. In this study, we present how to apply HPM to obtain a series expansion of functions. Consequently,…
Homentcovschi, Dorel; Miles, Ronald N.
2012-01-01
The paper applies the re-expansion method for analyzing planar discontinuities at the junction of two axi-symmetrical circular waveguides. The normal modes in the two waveguides are expanded at the junction plane into a system of functions accounting for velocity singularities at the corner points. As the new expansion has a high convergence order, only a few terms have to be considered for obtaining the solution of most practical problems. This paper gives the equivalent impedance accounting for nonplanar waves into a plane-wave analysis and also the scattering matrix describing the coupling of arbitrary modes at each side of the discontinuity valid in the case of many propagating modes in both sides of the duct. The last section applies the re-expansion technique to some concentric expansion chambers providing an explicit formula for the transmission loss coefficient. PMID:22352491
IRP methods for Environmental Impact Statements of utility expansion plans
Cavallo, J.D.; Hemphill, R.C.; Veselka, T.D.
1992-10-01
Most large electric utilities and a growing number of gas utilities in the United States are using a planning method -- Integrated Resource Planning (IRP) - which incorporates demand-side management (DSM) programs whenever the marginal cost of the DSM programs are lower than the marginal cost of supply-side expansion options. Argonne National Laboratory has applied the IRP method in its socio-economic analysis of an Environmental Impact Statement (EIS) of power marketing for a system of electric utilities in the mountain and western regions of the United States. Applying the IRP methods provides valuable information to the participants in an EIS process involving capacity expansion of an electric or gas utility. The major challenges of applying the IRP method within an EIS are the time consuming and costly task of developing a least cost expansion path for each altemative, the detailed quantification of environmental damages associated with capacity expansion, and the explicit inclusion of societal-impacts to the region.
IRP methods for Environmental Impact Statements of utility expansion plans
Cavallo, J.D.; Hemphill, R.C.; Veselka, T.D.
1992-01-01
Most large electric utilities and a growing number of gas utilities in the United States are using a planning method -- Integrated Resource Planning (IRP) - which incorporates demand-side management (DSM) programs whenever the marginal cost of the DSM programs are lower than the marginal cost of supply-side expansion options. Argonne National Laboratory has applied the IRP method in its socio-economic analysis of an Environmental Impact Statement (EIS) of power marketing for a system of electric utilities in the mountain and western regions of the United States. Applying the IRP methods provides valuable information to the participants in an EIS process involving capacity expansion of an electric or gas utility. The major challenges of applying the IRP method within an EIS are the time consuming and costly task of developing a least cost expansion path for each altemative, the detailed quantification of environmental damages associated with capacity expansion, and the explicit inclusion of societal-impacts to the region.
Thermal expansion method for lining tantalum alloy tubing with tungsten
NASA Technical Reports Server (NTRS)
Watson, G. K.; Whittenberger, J. D.; Mattson, W. F.
1973-01-01
A differential-thermal expansion method was developed to line T-111 (tantalum - 8 percent tungsten - 2 percent hafnium) tubing with a tungsten diffusion barrier as part of a fuel element fabrication study for a space power nuclear reactor concept. This method uses a steel mandrel, which has a larger thermal expansion than T-111, to force the tungsten against the inside of the T-111 tube. Variables investigated include lining temperature, initial assembly gas size, and tube length. Linear integrity increased with increasing lining temperature and decreasing gap size. The method should have more general applicability where cylinders must be lined with a thin layer of a second material.
NASA Astrophysics Data System (ADS)
Predota, Milan; Cummings, Peter T.; Chialvo, Ariel A.
The adiabatic nuclear and electronic sampling method (ANES), originally formulated as an efficient Monte Carlo algorithm for systems with fluctuating charges, is applied to the simulation of a polarizable water model with induced dipole moments. Structural, thermodynamic and dipolar properties obtained by ANES and a newer algorithm, the pair approximation for polarization interaction (PAPI), are compared with full iteration. With the best parameters, the inaccuracy of both approximate methods was found to be comparable with the uncertainty of the full iteration. The PAPI method with iteration radius equal to the second minimum of the oxygen-oxygen correlation function is, depending on the convergence tolerance, 10-15 times faster than the full iteration for 256 molecules, and yields very accurate structure and thermodynamics with deviation about 0.3%. When the iteration radius is increased to the cutoff distance, exact results are recovered at the cost of decreased efficiency. The ANES method with small nuclear displacements proved to inefficiently sample the configurational space. Simulations at low electronic temperatures with large nuclear displacements are inaccurate for up to 100 electronic moves, and increasing this number would make the simulations as slow as the full iteration. The most accurate and efficient adiabatic ANES simulations are those with infinite electronic temperature, large nuclear displacements and 1-10 electronic moves. The extra freedom of induced dipoles in the ANES method at high electronic temperatures modifies the observed dipolar properties; however, the question of whether the dielectric constant is also modified needs further consideration.
Thermal expansion of composites: Methods and results. [large space structures
NASA Technical Reports Server (NTRS)
Bowles, D. E.; Tenney, D. R.
1981-01-01
The factors controlling the dimensional stability of various components of large space structures were investigated. Cyclic, thermal and mechanical loading were identified as the primary controlling factors of the dimensional stability of cables. For organic matrix composites, such as graphite-epoxy, it was found that these factors include moisture desorption in the space environment, thermal expansion as the structure moves from the sunlight to shadow in its orbit, mechanical loading, and microyielding of the material caused by microcracking of the matrix material. The major focus was placed on the thermal expansion of composites and in particular the development and testing of a method for its measurement.
Experiences using DAKOTA stochastic expansion methods in computational simulations.
Templeton, Jeremy Alan; Ruthruff, Joseph R.
2012-01-01
Uncertainty quantification (UQ) methods bring rigorous statistical connections to the analysis of computational and experiment data, and provide a basis for probabilistically assessing margins associated with safety and reliability. The DAKOTA toolkit developed at Sandia National Laboratories implements a number of UQ methods, which are being increasingly adopted by modeling and simulation teams to facilitate these analyses. This report disseminates results as to the performance of DAKOTA's stochastic expansion methods for UQ on a representative application. Our results provide a number of insights that may be of interest to future users of these methods, including the behavior of the methods in estimating responses at varying probability levels, and the expansion levels for the methodologies that may be needed to achieve convergence.
Adiabatic cooling of antiprotons.
Gabrielse, G; Kolthammer, W S; McConnell, R; Richerme, P; Kalra, R; Novitski, E; Grzonka, D; Oelert, W; Sefzick, T; Zielinski, M; Fitzakerley, D; George, M C; Hessels, E A; Storry, C H; Weel, M; Müllers, A; Walz, J
2011-02-18
Adiabatic cooling is shown to be a simple and effective method to cool many charged particles in a trap to very low temperatures. Up to 3×10(6) p are cooled to 3.5 K-10(3) times more cold p and a 3 times lower p temperature than previously reported. A second cooling method cools p plasmas via the synchrotron radiation of embedded e(-) (with many fewer e(-) than p in preparation for adiabatic cooling. No p are lost during either process-a significant advantage for rare particles. PMID:21405511
Adiabatic Cooling of Antiprotons
Gabrielse, G.; Kolthammer, W. S.; McConnell, R.; Richerme, P.; Kalra, R.; Novitski, E.; Oelert, W.; Grzonka, D.; Sefzick, T.; Zielinski, M.; Fitzakerley, D.; George, M. C.; Hessels, E. A.; Storry, C. H.; Weel, M.; Muellers, A.; Walz, J.
2011-02-18
Adiabatic cooling is shown to be a simple and effective method to cool many charged particles in a trap to very low temperatures. Up to 3x10{sup 6} p are cooled to 3.5 K--10{sup 3} times more cold p and a 3 times lower p temperature than previously reported. A second cooling method cools p plasmas via the synchrotron radiation of embedded e{sup -} (with many fewer e{sup -} than p) in preparation for adiabatic cooling. No p are lost during either process--a significant advantage for rare particles.
NASA Astrophysics Data System (ADS)
Clary, D. C.; Connor, J. N. L.
Rotationally adiabatic distorted wave (RADW) and vibrationally adiabatic distorted wave (VADW) calculations of total and differential cross sections are reported for the three-dimensional H + H2(v=0, j=0) →H2(v'=0, j') + H and D + H2(v=0, j=0) →DH(v'=0, j') + H chemical reactions. Both the Porter-Karplus (PK) and the Siegbahn-Liu-Truhlar-Horowitz (SLTH) potential energy surfaces are used. The RADW results for D+H2 on the SLTH potential surface agree well with those obtained by Yung et al. In calculations using the PK surface, we obtain poor agreement with the RADW results reported for the H + H2 reaction by Choi and Tang, and for the D + H2 reaction by Tang and Choi. Reasons for these discrepancies are discussed. The absolute total RADW cross sections for the H + H2 reaction using both potential surfaces fall well below those obtained in accurate quantum calculations while the VADW total cross sections are smaller in magnitude than the RADW cross sections. The RADW and VADW results for relative rotational population distributions and for normalized differential cross sections are almost identical, and agree well with accurate quantum calculations for these quantities for the H + H2 reaction using the PK potential surface.
Shortcuts to adiabaticity in a time-dependent box
Campo, A. del; Boshier, M. G.
2012-01-01
A method is proposed to drive an ultrafast non-adiabatic dynamics of an ultracold gas trapped in a time-dependent box potential. The resulting state is free from spurious excitations associated with the breakdown of adiabaticity, and preserves the quantum correlations of the initial state up to a scaling factor. The process relies on the existence of an adiabatic invariant and the inversion of the dynamical self-similar scaling law dictated by it. Its physical implementation generally requires the use of an auxiliary expulsive potential. The method is extended to a broad family of interacting many-body systems. As illustrative examples we consider the ultrafast expansion of a Tonks-Girardeau gas and of Bose-Einstein condensates in different dimensions, where the method exhibits an excellent robustness against different regimes of interactions and the features of an experimentally realizable box potential. PMID:22970340
Bleiziffer, Patrick Schmidtel, Daniel; Görling, Andreas
2014-11-28
The occurrence of instabilities, in particular singlet-triplet and singlet-singlet instabilities, in the exact-exchange (EXX) Kohn-Sham method is investigated. Hessian matrices of the EXX electronic energy with respect to the expansion coefficients of the EXX effective Kohn-Sham potential in an auxiliary basis set are derived. The eigenvalues of these Hessian matrices determine whether or not instabilities are present. Similar as in the corresponding Hartree-Fock case instabilities in the EXX method are related to symmetry breaking of the Hamiltonian operator for the EXX orbitals. In the EXX methods symmetry breaking can easily be visualized by displaying the local multiplicative exchange potential. Examples (N{sub 2}, O{sub 2}, and the polyyne C{sub 10}H{sub 2}) for instabilities and symmetry breaking are discussed. The relation of the stability conditions for EXX methods to approaches calculating the Kohn-Sham correlation energy via the adiabatic-connection fluctuation-dissipation (ACFD) theorem is discussed. The existence or nonexistence of singlet-singlet instabilities in an EXX calculation is shown to indicate whether or not the frequency-integration in the evaluation of the correlation energy is singular in the EXX-ACFD method. This method calculates the Kohn-Sham correlation energy through the ACFD theorem theorem employing besides the Coulomb kernel also the full frequency-dependent exchange kernel and yields highly accurate electronic energies. For the case of singular frequency-integrands in the EXX-ACFD method a regularization is suggested. Finally, we present examples of molecular systems for which the self-consistent field procedure of the EXX as well as the Hartree-Fock method can converge to more than one local minimum depending on the initial conditions.
A general moment expansion method for stochastic kinetic models
NASA Astrophysics Data System (ADS)
Ale, Angelique; Kirk, Paul; Stumpf, Michael P. H.
2013-05-01
Moment approximation methods are gaining increasing attention for their use in the approximation of the stochastic kinetics of chemical reaction systems. In this paper we derive a general moment expansion method for any type of propensities and which allows expansion up to any number of moments. For some chemical reaction systems, more than two moments are necessary to describe the dynamic properties of the system, which the linear noise approximation is unable to provide. Moreover, also for systems for which the mean does not have a strong dependence on higher order moments, moment approximation methods give information about higher order moments of the underlying probability distribution. We demonstrate the method using a dimerisation reaction, Michaelis-Menten kinetics and a model of an oscillating p53 system. We show that for the dimerisation reaction and Michaelis-Menten enzyme kinetics system higher order moments have limited influence on the estimation of the mean, while for the p53 system, the solution for the mean can require several moments to converge to the average obtained from many stochastic simulations. We also find that agreement between lower order moments does not guarantee that higher moments will agree. Compared to stochastic simulations, our approach is numerically highly efficient at capturing the behaviour of stochastic systems in terms of the average and higher moments, and we provide expressions for the computational cost for different system sizes and orders of approximation. We show how the moment expansion method can be employed to efficiently quantify parameter sensitivity. Finally we investigate the effects of using too few moments on parameter estimation, and provide guidance on how to estimate if the distribution can be accurately approximated using only a few moments.
A field expansions method for scattering by periodic multilayered media.
Malcolm, Alison; Nicholls, David P
2011-04-01
The interaction of acoustic and electromagnetic waves with periodic structures plays an important role in a wide range of problems of scientific and technological interest. This contribution focuses upon the robust and high-order numerical simulation of a model for the interaction of pressure waves generated within the earth incident upon layers of sediment near the surface. Herein described is a boundary perturbation method for the numerical simulation of scattering returns from irregularly shaped periodic layered media. The method requires only the discretization of the layer interfaces (so that the number of unknowns is an order of magnitude smaller than finite difference and finite element simulations), while it avoids not only the need for specialized quadrature rules but also the dense linear systems characteristic of boundary integral/element methods. The approach is a generalization to multiple layers of Bruno and Reitich's "Method of Field Expansions" for dielectric structures with two layers. By simply considering the entire structure simultaneously, rather than solving in individual layers separately, the full field can be recovered in time proportional to the number of interfaces. As with the original field expansions method, this approach is extremely efficient and spectrally accurate. PMID:21476635
NASA Astrophysics Data System (ADS)
Sahoo, S.; Saha Ray, S.
2016-04-01
In the present paper, we construct the analytical exact solutions of a nonlinear evolution equation in mathematical physics; namely time fractional modified KdV equation by using (G‧ / G)-expansion method and improved (G‧ / G)-expansion method. As a result, new types of exact analytical solutions are obtained.
A Multipole Expansion Method for Analyzing Lightning Field Changes
NASA Technical Reports Server (NTRS)
Koshak, William J.; Krider, E. Philip; Murphy, Martin J.
1998-01-01
Changes in the surface electric field are frequently used to infer the locations and magnitudes of lightning-caused changes in thundercloud charge distributions. The traditional procedure is to assume that the charges that are effectively deposited by the flash can be modeled either as a single point charge (the Q-model) or a point dipole (the P-model). The Q-model has 4 unknown parameters and provides a good description of many cloud-to-ground (CG) flashes. The P-model has 6 unknown parameters and describes many intracloud (IC) discharges. In this paper, we introduce a new analysis method that assumes that the change in the cloud charge can be described by a truncated multipole expansion, i.e., there are both monopole and dipole terms in the unknown source distribution, and both terms are applied simultaneously. This method can be used to analyze CG flashes that are accompanied by large changes in the cloud dipole moment and complex IC discharges. If there is enough information content in the measurements, the model can also be generalized to include quadrupole and higher order terms. The parameters of the charge moments are determined using a 3-dimensional grid search in combination with a linear inversion, and because of this, local minima in the error function and the associated solution ambiguities are avoided. The multipole method has been tested on computer simulated sources and on natural lightning at the NASA Kennedy Space Center and USAF Eastern Range.
A Multipole Expansion Method for Analyzing Lightning Field Changes
NASA Technical Reports Server (NTRS)
Koshak, William J.; Krider, E. Philip; Murphy, Martin J.
1999-01-01
Changes in the surface electric field are frequently used to infer the locations and magnitudes of lightning-caused changes in thundercloud charge distributions. The traditional procedure is to assume that the charges that are effectively deposited by the flash can be modeled either as a single point charge (the Q model) or a point dipole (the P model). The Q model has four unknown parameters and provides a good description of many cloud-to-ground (CG) flashes. The P model has six unknown parameters and describes many intracloud (IC) discharges. In this paper we introduce a new analysis method that assumes that the change in the cloud charge can be described by a truncated multipole expansion, i.e., there are both monopole and dipole terms in the unknown source distribution, and both terms are applied simultaneously. This method can be used to analyze CG flashes that are accompanied by large changes in the cloud dipole moment and complex IC discharges. If there is enough information content in the measurements, the model can also be generalized to include quadrupole and higher order terms. The parameters of the charge moments are determined using a dme-dimensional grid search in combination with a linear inversion, and because of this, local minima in the error function and the associated solution ambiguities are avoided. The multipole method has been tested on computer-simulated sources and on natural lightning at the NASA Kennedy Space Center and U.S. Air Force Eastern Range.
Non-adiabatic electron-proton couplings in H2 by floating Gaussian method
NASA Astrophysics Data System (ADS)
Ichikawa, Yuichi; Kato, Tsuyoshi; Yamanouchi, Kaoru
2016-08-01
Time-dependent electron-nuclear wave functions of H2 were described by the floating Gaussian method. The equations of motion for the parameters that specify the wave functions are explicitly derived. By the imaginary time propagation, the ground-state wave functions were obtained. Five high frequency components appearing in the Fourier transformed spectra of the squared inter-particle distances were ascribed to the motion of electrons, and the two lowest frequency components among the five were identified as those representing coupling of the motions of electrons and nuclei.
Smit, Hans Harmen; Meijaard, Erik; van der Laan, Carina; Mantel, Stephan; Budiman, Arif; Verweij, Pita
2013-01-01
Land degradation is a global concern. In tropical areas it primarily concerns the conversion of forest into non-forest lands and the associated losses of environmental services. Defining such degradation is not straightforward hampering effective reduction in degradation and use of already degraded lands for more productive purposes. To facilitate the processes of avoided degradation and land rehabilitation, we have developed a methodology in which we have used international environmental and social sustainability standards to determine the suitability of lands for sustainable agricultural expansion. The method was developed and tested in one of the frontiers of agricultural expansion, West Kalimantan province in Indonesia. The focus was on oil palm expansion, which is considered as a major driver for deforestation in tropical regions globally. The results suggest that substantial changes in current land-use planning are necessary for most new plantations to comply with international sustainability standards. Through visualizing options for sustainable expansion with our methodology, we demonstrate that the link between oil palm expansion and degradation can be broken. Application of the methodology with criteria and thresholds similar to ours could help the Indonesian government and the industry to achieve its pro-growth, pro-job, pro-poor and pro-environment development goals. For sustainable agricultural production, context specific guidance has to be developed in areas suitable for expansion. Our methodology can serve as a template for designing such commodity and country specific tools and deliver such guidance. PMID:24039700
Harmen Smit, Hans; Meijaard, Erik; van der Laan, Carina; Mantel, Stephan; Budiman, Arif; Verweij, Pita
2013-01-01
Land degradation is a global concern. In tropical areas it primarily concerns the conversion of forest into non-forest lands and the associated losses of environmental services. Defining such degradation is not straightforward hampering effective reduction in degradation and use of already degraded lands for more productive purposes. To facilitate the processes of avoided degradation and land rehabilitation, we have developed a methodology in which we have used international environmental and social sustainability standards to determine the suitability of lands for sustainable agricultural expansion. The method was developed and tested in one of the frontiers of agricultural expansion, West Kalimantan province in Indonesia. The focus was on oil palm expansion, which is considered as a major driver for deforestation in tropical regions globally. The results suggest that substantial changes in current land-use planning are necessary for most new plantations to comply with international sustainability standards. Through visualizing options for sustainable expansion with our methodology, we demonstrate that the link between oil palm expansion and degradation can be broken. Application of the methodology with criteria and thresholds similar to ours could help the Indonesian government and the industry to achieve its pro-growth, pro-job, pro-poor and pro-environment development goals. For sustainable agricultural production, context specific guidance has to be developed in areas suitable for expansion. Our methodology can serve as a template for designing such commodity and country specific tools and deliver such guidance. PMID:24039700
A multi-state trajectory method for non-adiabatic dynamics simulations.
Tao, Guohua
2016-03-01
A multi-state trajectory approach is proposed to describe nuclear-electron coupled dynamics in nonadiabatic simulations. In this approach, each electronic state is associated with an individual trajectory, among which electronic transition occurs. The set of these individual trajectories constitutes a multi-state trajectory, and nuclear dynamics is described by one of these individual trajectories as the system is on the corresponding state. The total nuclear-electron coupled dynamics is obtained from the ensemble average of the multi-state trajectories. A variety of benchmark systems such as the spin-boson system have been tested and the results generated using the quasi-classical version of the method show reasonably good agreement with the exact quantum calculations. Featured in a clear multi-state picture, high efficiency, and excellent numerical stability, the proposed method may have advantages in being implemented to realistic complex molecular systems, and it could be straightforwardly applied to general nonadiabatic dynamics involving multiple states. PMID:26957158
Degenerate adiabatic perturbation theory: Foundations and applications
NASA Astrophysics Data System (ADS)
Rigolin, Gustavo; Ortiz, Gerardo
2014-08-01
We present details and expand on the framework leading to the recently introduced degenerate adiabatic perturbation theory [Phys. Rev. Lett. 104, 170406 (2010), 10.1103/PhysRevLett.104.170406], and on the formulation of the degenerate adiabatic theorem, along with its necessary and sufficient conditions [given in Phys. Rev. A 85, 062111 (2012), 10.1103/PhysRevA.85.062111]. We start with the adiabatic approximation for degenerate Hamiltonians that paves the way to a clear and rigorous statement of the associated degenerate adiabatic theorem, where the non-Abelian geometric phase (Wilczek-Zee phase) plays a central role to its quantitative formulation. We then describe the degenerate adiabatic perturbation theory, whose zeroth-order term is the degenerate adiabatic approximation, in its full generality. The parameter in the perturbative power-series expansion of the time-dependent wave function is directly associated to the inverse of the time it takes to drive the system from its initial to its final state. With the aid of the degenerate adiabatic perturbation theory we obtain rigorous necessary and sufficient conditions for the validity of the adiabatic theorem of quantum mechanics. Finally, to illustrate the power and wide scope of the methodology, we apply the framework to a degenerate Hamiltonian, whose closed-form time-dependent wave function is derived exactly, and also to other nonexactly solvable Hamiltonians whose solutions are numerically computed.
Conservation laws and a new expansion method for sixth order Boussinesq equation
NASA Astrophysics Data System (ADS)
Yokuş, Asıf; Kaya, Doǧan
2015-09-01
In this study, we analyze the conservation laws of a sixth order Boussinesq equation by using variational derivative. We get sixth order Boussinesq equation's traveling wave solutions with (1/G) -expansion method which we constitute newly by being inspired with (G/G) -expansion method which is suggested in [1]. We investigate conservation laws of the analytical solutions which we obtained by the new constructed method. The analytical solution's conductions which we get according to new expansion method are given graphically.
The Dual-Angle Method for Fast, Sensitive T1 Measurement in Vivo with Low-Angle Adiabatic Pulses
NASA Astrophysics Data System (ADS)
Bottomley, P. A.; Ouwerkerk, R.
A new method for measuring T1 based on a measurement of the ratio, R, of the steady-state partially saturated NMR signals acquired at two fixed low flip angles (<90°) and a single sequence-repetition period, TR, is presented, The flip angles are chosen to optimize both the signal-to-noise ratio per unit time relative to the best possible Ernst-angle performance and the sensitivity with which a measurement of R can resolve differences in T1. A flip-angle pair at of around (60°, 15°) yields 70-79% of the maximum achievable Ernst-angle signal-to-noise ratio and a near-linear dependence of R on TR/ T1 with gradient of about 2:1 over the range 0.1 ≤ TR/ T1 ≤ 1. Errors in hip-angle and excitation-field ( B1) inhomogeneity result in roughly proportionate errors in the apparent T1. The method is best implemented with adiabatic low-angle pulses such as B1-independent rotation (BIR-4) or BIR-4 phase-cycled (BIRP) pulses, which permit measurements with surface coils. Experimental validation was obtained at 2 T by comparison of unlocalized inversion-recovery and dual-angle proton ( 1H) and phosphorus ( 31P) measurements from vials containing doped water with 0.04 ≤ T1 ≤ 2.8 s and from the metabolites in the calf muscles of eight human volunteers. Calf muscle values of 6 ± 0.5 s for phosphocreatine and around 3.7 ± 0.8 s for the adenosine triphosphates (ATP) were in good agreement with inversion-recovery T1 values and values from the literature. Use of the dual-angle method accelerated T1 measurement time by about fivefold over inversion recovery. The dual-angle method was implemented in a one-dimensional localized surface-coil 31P spectroscopy sequence, producing consistent T1 measurements from phantoms, the calf muscle, and the human liver. 31P T1 values of ATP in the livers of six volunteers were about 0.5 ± 0.1 to 0.6 ± 0.2 s: the total exam times were about 35 minutes per subject. The method is ideally suited to low-sensitivity and/or low
NASA Astrophysics Data System (ADS)
Froese, Robert D. J.; Morokuma, Keiji
1996-12-01
The recently proposed integrated MO + MO (IMOMO) and MO + MM (IMOMM) methods have been applied to excited states of large molecules, i.e., the adiabatic triplet excitation energies of cyclic alkenes and enones. The IMOMO methods with G2MS as High level and HF or MP2 as Low level agree well with pure MO benchmarks and experiments. The substituent shifts have been discussed in the IMOMO analysis. The geometries of a testosterone derivative with more than 50 atoms were optimized for the lower triplet excited states with the IMOMM(HF:MM3) method and their energies were calculated using IMOMO and IMOMM methods.
NASA Astrophysics Data System (ADS)
Landahl, Andrew
2012-10-01
Quantum computers promise to exploit counterintuitive quantum physics principles like superposition, entanglement, and uncertainty to solve problems using fundamentally fewer steps than any conventional computer ever could. The mere possibility of such a device has sharpened our understanding of quantum coherent information, just as lasers did for our understanding of coherent light. The chief obstacle to developing quantum computer technology is decoherence--one of the fastest phenomena in all of physics. In principle, decoherence can be overcome by using clever entangled redundancies in a process called fault-tolerant quantum error correction. However, the quality and scale of technology required to realize this solution appears distant. An exciting alternative is a proposal called ``adiabatic'' quantum computing (AQC), in which adiabatic quantum physics keeps the computer in its lowest-energy configuration throughout its operation, rendering it immune to many decoherence sources. The Adiabatic Quantum Architectures In Ultracold Systems (AQUARIUS) Grand Challenge Project at Sandia seeks to demonstrate this robustness in the laboratory and point a path forward for future hardware development. We are building devices in AQUARIUS that realize the AQC architecture on up to three quantum bits (``qubits'') in two platforms: Cs atoms laser-cooled to below 5 microkelvin and Si quantum dots cryo-cooled to below 100 millikelvin. We are also expanding theoretical frontiers by developing methods for scalable universal AQC in these platforms. We have successfully demonstrated operational qubits in both platforms and have even run modest one-qubit calculations using our Cs device. In the course of reaching our primary proof-of-principle demonstrations, we have developed multiple spinoff technologies including nanofabricated diffractive optical elements that define optical-tweezer trap arrays and atomic-scale Si lithography commensurate with placing individual donor atoms with
NASA Technical Reports Server (NTRS)
Hill, P R
1958-01-01
A method of calculating the temperature of thick walls has been developed in which the time series and the response to a unit triangle variation of surface temperature concepts are used, together with essentially standard formulas for transient temperature and heat flow into thick walls. The method can be used without knowledge of the mathematical tools of its development. The method is particularly suitable for determining the wall temperature in one-dimensional thermal problems in aeronautics where there is a continuous variation of the heat-transfer coefficient and adiabatic-wall temperature. The method also offers a convenient means for solving the inverse problem of determining the heat-flow history when temperature history is known.
Numerical simulation of stratified shear flow using a higher order Taylor series expansion method
Iwashige, Kengo; Ikeda, Takashi
1995-09-01
A higher order Taylor series expansion method is applied to two-dimensional numerical simulation of stratified shear flow. In the present study, central difference scheme-like method is adopted for an even expansion order, and upwind difference scheme-like method is adopted for an odd order, and the expansion order is variable. To evaluate the effects of expansion order upon the numerical results, a stratified shear flow test in a rectangular channel (Reynolds number = 1.7x10{sup 4}) is carried out, and the numerical velocity and temperature fields are compared with experimental results measured by laser Doppler velocimetry thermocouples. The results confirm that the higher and odd order methods can simulate mean velocity distributions, root-mean-square velocity fluctuations, Reynolds stress, temperature distributions, and root-mean-square temperature fluctuations.
Wireless adiabatic power transfer
Rangelov, A.A.; Suchowski, H.; Silberberg, Y.; Vitanov, N.V.
2011-03-15
Research Highlights: > Efficient and robust mid-range wireless energy transfer between two coils. > The adiabatic energy transfer is analogous to adiabatic passage in quantum optics. > Wireless energy transfer is insensitive to any resonant constraints. > Wireless energy transfer is insensitive to noise in the neighborhood of the coils. - Abstract: We propose a technique for efficient mid-range wireless power transfer between two coils, by adapting the process of adiabatic passage for a coherently driven two-state quantum system to the realm of wireless energy transfer. The proposed technique is shown to be robust to noise, resonant constraints, and other interferences that exist in the neighborhood of the coils.
Adiabatically driven Brownian pumps.
Rozenbaum, Viktor M; Makhnovskii, Yurii A; Shapochkina, Irina V; Sheu, Sheh-Yi; Yang, Dah-Yen; Lin, Sheng Hsien
2013-07-01
We investigate a Brownian pump which, being powered by a flashing ratchet mechanism, produces net particle transport through a membrane. The extension of the Parrondo's approach developed for reversible Brownian motors [Parrondo, Phys. Rev. E 57, 7297 (1998)] to adiabatically driven pumps is given. We demonstrate that the pumping mechanism becomes especially efficient when the time variation of the potential occurs adiabatically fast or adiabatically slow, in perfect analogy with adiabatically driven Brownian motors which exhibit high efficiency [Rozenbaum et al., Phys. Rev. E 85, 041116 (2012)]. At the same time, the efficiency of the pumping mechanism is shown to be less than that of Brownian motors due to fluctuations of the number of particles in the membrane. PMID:23944411
Modular application of an integration by fractional expansion method to multiloop Feynman diagrams
Gonzalez, Ivan; Schmidt, Ivan
2008-10-15
We present an alternative technique for evaluating multiloop Feynman diagrams, using the integration by fractional expansion method. Here we consider generic diagrams that contain propagators with radiative corrections which topologically correspond to recursive constructions of bubble type diagrams. The main idea is to reduce these subgraphs, replacing them by their equivalent multiregion expansion. One of the main advantages of this integration technique is that it allows one to reduce massive cases with the same degree of difficulty as in the massless case.
A Perturbation Expansion Method to Study Highly Correlated Spins
Anda, E. V.; Chiappe, G.; Busser, Carlos A; Davidovich, M. A.; Martins, G. B.; Heidrich-Meisner, F.; Dagotto, Elbio R
2009-01-01
This paper proposes a new numerical algorithm to study dynamical spin dependent properties of local highly correlated structures. The method consists in diagonalizing a finite cluster containing the many-body terms of the Hamil- tonian and embedding it into the rest of the system, the Em- bedding Cluster Approximation (ECA), combined with Wil- son s ideas of logarithmic discretization of the representa- tion of the Hamiltonian, the Logarithm Discretization Em- bedded Cluster Approximation (LDECA). The physics as- sociated to a dot and a side-coupled double dot connected to leads are discussed in detail.
On the Model and Solution Methods for Multi-Facility Capacity Expansion Problem
NASA Astrophysics Data System (ADS)
Magori, Hideki; Yokoyama, Ryuichi
Capacity expansion problem is a hard combinatorial problem to solve because it must treat many scheduling subproblems within a multi-facility framework. It is classified into a category of general Investment & Operation planning problems. This paper presents a basic model for a certain class of capacity expansion problem applicable to the generation expansion problem in power systems, and proposes several mathematical methods for the model. In the field of Operational Research, Dynamic Programming (DP) has been the most popular method under multistage dynamic environments. It is however made clear in the paper that the model cannot be exactly solved by standard DPs. Consequently, another representative methods such as Lagrangian Relaxation, Branch-and-Bound and Heuristics are also tailored as alternatives for DP and compared with each other. Computational experiments by all proposed methods yielded promising suboptima with quality guarantee, among others Branch-and-Bound and Lagrangian Relaxation methods are recommended as suitable ones for the model.
NASA Astrophysics Data System (ADS)
Dobbyn, Abigail J.; Knowles, Peter J.
A number of established techniques for obtaining diabatic electronic states in small molecules are critically compared for the example of the X and B states in the water molecule, which contribute to the two lowest-energy conical intersections. Integration of the coupling matrix elements and analysis of configuration mixing coefficients both produce reliable diabatic states globally. Methods relying on diagonalization of dipole moment and angular momentum operators are shown to fail in large regions of coordinate space. However, the use of transition angular momentum matrix elements involving the A state, which is degenerate with B at the conical intersections, is successful globally, provided that an appropriate choice of coordinates is made. Long range damping of non-adiabatic coupling to give correct asymptotic mixing angles also is investigated.
Robust adiabatic sum frequency conversion.
Suchowski, Haim; Prabhudesai, Vaibhav; Oron, Dan; Arie, Ady; Silberberg, Yaron
2009-07-20
We discuss theoretically and demonstrate experimentally the robustness of the adiabatic sum frequency conversion method. This technique, borrowed from an analogous scheme of robust population transfer in atomic physics and nuclear magnetic resonance, enables the achievement of nearly full frequency conversion in a sum frequency generation process for a bandwidth up to two orders of magnitude wider than in conventional conversion schemes. We show that this scheme is robust to variations in the parameters of both the nonlinear crystal and of the incoming light. These include the crystal temperature, the frequency of the incoming field, the pump intensity, the crystal length and the angle of incidence. Also, we show that this extremely broad bandwidth can be tuned to higher or lower central wavelengths by changing either the pump frequency or the crystal temperature. The detailed study of the properties of this converter is done using the Landau-Zener theory dealing with the adiabatic transitions in two level systems. PMID:19654679
Parallelizable adiabatic gate teleportation
NASA Astrophysics Data System (ADS)
Nakago, Kosuke; Hajdušek, Michal; Nakayama, Shojun; Murao, Mio
2015-12-01
To investigate how a temporally ordered gate sequence can be parallelized in adiabatic implementations of quantum computation, we modify adiabatic gate teleportation, a model of quantum computation proposed by Bacon and Flammia [Phys. Rev. Lett. 103, 120504 (2009), 10.1103/PhysRevLett.103.120504], to a form deterministically simulating parallelized gate teleportation, which is achievable only by postselection. We introduce a twisted Heisenberg-type interaction Hamiltonian, a Heisenberg-type spin interaction where the coordinates of the second qubit are twisted according to a unitary gate. We develop parallelizable adiabatic gate teleportation (PAGT) where a sequence of unitary gates is performed in a single step of the adiabatic process. In PAGT, numeric calculations suggest the necessary time for the adiabatic evolution implementing a sequence of L unitary gates increases at most as O (L5) . However, we show that it has the interesting property that it can map the temporal order of gates to the spatial order of interactions specified by the final Hamiltonian. Using this property, we present a controlled-PAGT scheme to manipulate the order of gates by a control qubit. In the controlled-PAGT scheme, two differently ordered sequential unitary gates F G and G F are coherently performed depending on the state of a control qubit by simultaneously applying the twisted Heisenberg-type interaction Hamiltonians implementing unitary gates F and G . We investigate why the twisted Heisenberg-type interaction Hamiltonian allows PAGT. We show that the twisted Heisenberg-type interaction Hamiltonian has an ability to perform a transposed unitary gate by just modifying the space ordering of the final Hamiltonian implementing a unitary gate in adiabatic gate teleportation. The dynamics generated by the time-reversed Hamiltonian represented by the transposed unitary gate enables deterministic simulation of a postselected event of parallelized gate teleportation in adiabatic
Zhao, Xuefeng; Gong, Peng; Qiao, Guofu; Lu, Jie; Lv, Xingjun; Ou, Jinping
2011-01-01
In this paper, a novel kind of method to monitor corrosion expansion of steel rebars in steel reinforced concrete structures named fiber optic coil winding method is proposed, discussed and tested. It is based on the fiber optical Brillouin sensing technique. Firstly, a strain calibration experiment is designed and conducted to obtain the strain coefficient of single mode fiber optics. Results have shown that there is a good linear relationship between Brillouin frequency and applied strain. Then, three kinds of novel fiber optical Brillouin corrosion expansion sensors with different fiber optic coil winding packaging schemes are designed. Sensors were embedded into concrete specimens to monitor expansion strain caused by steel rebar corrosion, and their performance was studied in a designed electrochemical corrosion acceleration experiment. Experimental results have shown that expansion strain along the fiber optic coil winding area can be detected and measured by the three kinds of sensors with different measurement range during development the corrosion. With the assumption of uniform corrosion, diameters of corrosion steel rebars were obtained using calculated average strains. A maximum expansion strain of 6,738 με was monitored. Furthermore, the uniform corrosion analysis model was established and the evaluation formula to evaluate mass loss rate of steel rebar under a given corrosion rust expansion rate was derived. The research has shown that three kinds of Brillouin sensors can be used to monitor the steel rebar corrosion expansion of reinforced concrete structures with good sensitivity, accuracy and monitoring range, and can be applied to monitor different levels of corrosion. By means of this kind of monitoring technique, quantitative corrosion expansion monitoring can be carried out, with the virtues of long durability, real-time monitoring and quasi-distribution monitoring. PMID:22346672
Zhao, Xuefeng; Gong, Peng; Qiao, Guofu; Lu, Jie; Lv, Xingjun; Ou, Jinping
2011-01-01
In this paper, a novel kind of method to monitor corrosion expansion of steel rebars in steel reinforced concrete structures named fiber optic coil winding method is proposed, discussed and tested. It is based on the fiber optical Brillouin sensing technique. Firstly, a strain calibration experiment is designed and conducted to obtain the strain coefficient of single mode fiber optics. Results have shown that there is a good linear relationship between Brillouin frequency and applied strain. Then, three kinds of novel fiber optical Brillouin corrosion expansion sensors with different fiber optic coil winding packaging schemes are designed. Sensors were embedded into concrete specimens to monitor expansion strain caused by steel rebar corrosion, and their performance was studied in a designed electrochemical corrosion acceleration experiment. Experimental results have shown that expansion strain along the fiber optic coil winding area can be detected and measured by the three kinds of sensors with different measurement range during development the corrosion. With the assumption of uniform corrosion, diameters of corrosion steel rebars were obtained using calculated average strains. A maximum expansion strain of 6,738 με was monitored. Furthermore, the uniform corrosion analysis model was established and the evaluation formula to evaluate mass loss rate of steel rebar under a given corrosion rust expansion rate was derived. The research has shown that three kinds of Brillouin sensors can be used to monitor the steel rebar corrosion expansion of reinforced concrete structures with good sensitivity, accuracy and monitoring range, and can be applied to monitor different levels of corrosion. By means of this kind of monitoring technique, quantitative corrosion expansion monitoring can be carried out, with the virtues of long durability, real-time monitoring and quasi-distribution monitoring. PMID:22346672
Computation of determinant expansion coefficients within the graphically contracted function method.
Gidofalvi, G.; Shepard, R.; Chemical Sciences and Engineering Division
2009-11-30
Most electronic structure methods express the wavefunction as an expansion of N-electron basis functions that are chosen to be either Slater determinants or configuration state functions. Although the expansion coefficient of a single determinant may be readily computed from configuration state function coefficients for small wavefunction expansions, traditional algorithms are impractical for systems with a large number of electrons and spatial orbitals. In this work, we describe an efficient algorithm for the evaluation of a single determinant expansion coefficient for wavefunctions expanded as a linear combination of graphically contracted functions. Each graphically contracted function has significant multiconfigurational character and depends on a relatively small number of variational parameters called arc factors. Because the graphically contracted function approach expresses the configuration state function coefficients as products of arc factors, a determinant expansion coefficient may be computed recursively more efficiently than with traditional configuration interaction methods. Although the cost of computing determinant coefficients scales exponentially with the number of spatial orbitals for traditional methods, the algorithm presented here exploits two levels of recursion and scales polynomially with system size. Hence, as demonstrated through applications to systems with hundreds of electrons and orbitals, it may readily be applied to very large systems.
Computation of determinant expansion coefficients within the graphically contracted function method.
Gidofalvi, Gergely; Shepard, Ron
2009-11-30
Most electronic structure methods express the wavefunction as an expansion of N-electron basis functions that are chosen to be either Slater determinants or configuration state functions. Although the expansion coefficient of a single determinant may be readily computed from configuration state function coefficients for small wavefunction expansions, traditional algorithms are impractical for systems with a large number of electrons and spatial orbitals. In this work, we describe an efficient algorithm for the evaluation of a single determinant expansion coefficient for wavefunctions expanded as a linear combination of graphically contracted functions. Each graphically contracted function has significant multiconfigurational character and depends on a relatively small number of variational parameters called arc factors. Because the graphically contracted function approach expresses the configuration state function coefficients as products of arc factors, a determinant expansion coefficient may be computed recursively more efficiently than with traditional configuration interaction methods. Although the cost of computing determinant coefficients scales exponentially with the number of spatial orbitals for traditional methods, the algorithm presented here exploits two levels of recursion and scales polynomially with system size. Hence, as demonstrated through applications to systems with hundreds of electrons and orbitals, it may readily be applied to very large systems. PMID:19360796
Modeling laser beam diffraction and propagation by the mode-expansion method.
Snyder, James J
2007-08-01
In the mode-expansion method for modeling propagation of a diffracted beam, the beam at the aperture can be expanded as a weighted set of orthogonal modes. The parameters of the expansion modes are chosen to maximize the weighting coefficient of the lowest-order mode. As the beam propagates, its field distribution can be reconstructed from the set of weighting coefficients and the Gouy phase of the lowest-order mode. We have developed a simple procedure to implement the mode-expansion method for propagation through an arbitrary ABCD matrix, and we have demonstrated that it is accurate in comparison with direct calculations of diffraction integrals and much faster. PMID:17676115
Chateau, M; Planas, C S
1995-01-01
Orthodontic goniometry applied to expansion cases treated by P. Planas method (neuro-occlusal rehabilitation) demonstrates considerable bimaxillary transverse expansion (crown and apices). Maximal expansion of 10 mm was noted for mandibular apices with a mean of 5.8 mm. Maximal expansion of 11.5 mm was noted for maxillary apices with a mean of 8.11 mm. Results were stable, some being controlled more than eight years out of retention. PMID:8611485
Adiabatically implementing quantum gates
Sun, Jie; Lu, Songfeng Liu, Fang
2014-06-14
We show that, through the approach of quantum adiabatic evolution, all of the usual quantum gates can be implemented efficiently, yielding running time of order O(1). This may be considered as a useful alternative to the standard quantum computing approach, which involves quantum gates transforming quantum states during the computing process.
NASA Astrophysics Data System (ADS)
Ali Akbar, M.; Norhashidah, Hj. Mohd. Ali; E. M. E., Zayed
2012-02-01
In this article, we construct abundant exact traveling wave solutions involving free parameters to the generalized Bretherton equation via the improved (G'/G)-expansion method. The traveling wave solutions are presented in terms of the trigonometric, the hyperbolic, and rational functions. When the parameters take special values, the solitary waves are derived from the traveling waves.
ERIC Educational Resources Information Center
Greenberg, Jane
2001-01-01
Explores what might be the optimal query expansion (QE) processing method with semantically coded thesauri. Examines whether QE via semantically coded thesauri terminology is more effective in the "automatic" or "interactive" processing environment. Results revealed that synonyms and partial synonyms and narrower terms are "generally good"…
A two-dimensional, semi-analytic expansion method for nodal calculations
Palmtag, S.P.
1995-08-01
Most modern nodal methods used today are based upon the transverse integration procedure in which the multi-dimensional flux shape is integrated over the transverse directions in order to produce a set of coupled one-dimensional flux shapes. The one-dimensional flux shapes are then solved either analytically or by representing the flux shape by a finite polynomial expansion. While these methods have been verified for most light-water reactor applications, they have been found to have difficulty predicting the large thermal flux gradients near the interfaces of highly-enriched MOX fuel assemblies. A new method is presented here in which the neutron flux is represented by a non-seperable, two-dimensional, semi-analytic flux expansion. The main features of this method are (1) the leakage terms from the node are modeled explicitly and therefore, the transverse integration procedure is not used, (2) the corner point flux values for each node are directly edited from the solution method, and a corner-point interpolation is not needed in the flux reconstruction, (3) the thermal flux expansion contains hyperbolic terms representing analytic solutions to the thermal flux diffusion equation, and (4) the thermal flux expansion contains a thermal to fast flux ratio term which reduces the number of polynomial expansion functions needed to represent the thermal flux. This new nodal method has been incorporated into the computer code COLOR2G and has been used to solve a two-dimensional, two-group colorset problem containing uranium and highly-enriched MOX fuel assemblies. The results from this calculation are compared to the results found using a code based on the traditional transverse integration procedure.
Gonzalez, Ivan; Schmidt, Ivan
2009-06-15
A modular application of the integration by fractional expansion method for evaluating Feynman diagrams is extended to diagrams that contain loop triangle subdiagrams in their geometry. The technique is based in the replacement of this module or subdiagram by its corresponding multiregion expansion (MRE), which in turn is obtained from Schwinger's parametric representation of the diagram. The result is a topological reduction, transforming the triangular loop into an equivalent vertex, which simplifies the search for the MRE of the complete diagram. This procedure has important advantages with respect to considering the parametric representation of the whole diagram: the obtained MRE is reduced, and the resulting hypergeometric series tends to have smaller multiplicity.
Entanglement and adiabatic quantum computation
NASA Astrophysics Data System (ADS)
Ahrensmeier, D.
2006-06-01
Adiabatic quantum computation provides an alternative approach to quantum computation using a time-dependent Hamiltonian. The time evolution of entanglement during the adiabatic quantum search algorithm is studied, and its relevance as a resource is discussed.
NASA Astrophysics Data System (ADS)
Bleiziffer, Patrick; Krug, Marcel; Görling, Andreas
2015-06-01
A self-consistent Kohn-Sham method based on the adiabatic-connection fluctuation-dissipation (ACFD) theorem, employing the frequency-dependent exact exchange kernel fx is presented. The resulting SC-exact-exchange-only (EXX)-ACFD method leads to even more accurate correlation potentials than those obtained within the direct random phase approximation (dRPA). In contrast to dRPA methods, not only the Coulomb kernel but also the exact exchange kernel fx is taken into account in the EXX-ACFD correlation which results in a method that, unlike dRPA methods, is free of self-correlations, i.e., a method that treats exactly all one-electron systems, like, e.g., the hydrogen atom. The self-consistent evaluation of EXX-ACFD total energies improves the accuracy compared to EXX-ACFD total energies evaluated non-self-consistently with EXX or dRPA orbitals and eigenvalues. Reaction energies of a set of small molecules, for which highly accurate experimental reference data are available, are calculated and compared to quantum chemistry methods like Møller-Plesset perturbation theory of second order (MP2) or coupled cluster methods [CCSD, coupled cluster singles, doubles, and perturbative triples (CCSD(T))]. Moreover, we compare our methods to other ACFD variants like dRPA combined with perturbative corrections such as the second order screened exchange corrections or a renormalized singles correction. Similarly, the performance of our EXX-ACFD methods is investigated for the non-covalently bonded dimers of the S22 reference set and for potential energy curves of noble gas, water, and benzene dimers. The computational effort of the SC-EXX-ACFD method exhibits the same scaling of N5 with respect to the system size N as the non-self-consistent evaluation of only the EXX-ACFD correlation energy; however, the prefactor increases significantly. Reaction energies from the SC-EXX-ACFD method deviate quite little from EXX-ACFD energies obtained non-self-consistently with dRPA orbitals
A novel hybrid Neumann expansion method for stochastic analysis of mistuned bladed discs
NASA Astrophysics Data System (ADS)
Yuan, Jie; Allegri, Giuliano; Scarpa, Fabrizio; Patsias, Sophoclis; Rajasekaran, Ramesh
2016-05-01
The paper presents a novel hybrid method to enhance the computational efficiency of matrix inversions during the stochastic analysis of mistuned bladed disc systems. The method is based on the use of stochastic Neumann expansion in the frequency domain, coupled with a matrix factorization in the neighbourhood of the resonant frequencies. The number of the expansion terms is used as an indicator to select the matrix inversion technique to be used, without introducing any additional computational cost. The proposed method is validated using two case studies, where the dynamics an aero-engine bladed disc is modelled first using a lumped parameter approach and then with high-fidelity finite element analysis. The frequency responses of the blades are evaluated according to different mistuning patterns via stiffness or mass perturbations under the excitation provided by the engine orders. Results from standard matrix factorization methods are used to benchmark the responses obtained from the proposed hybrid method. Unlike classic Neumann expansion methods, the new technique can effectively update the inversion of an uncertain matrix with no convergence problems during Monte Carlo simulations. The novel hybrid method is more computationally efficient than standard techniques, with no accuracy loss.
Romero-Redondo, C.; Garrido, E.; Barletta, P.; Kievsky, A.; Viviani, M.
2011-02-15
In this work we investigate 1+2 reactions within the framework of the hyperspherical adiabatic expansion method. With this aim two integral relations, derived from the Kohn variational principle, are used. A detailed derivation of these relations is shown. The expressions derived are general, not restricted to relative s partial waves, and with applicability in multichannel reactions. The convergence of the K matrix in terms of the adiabatic potentials is investigated. Together with a simple model case used as a test for the method, we show results for the collision of a {sup 4}He atom on a {sup 4}He{sub 2} dimer (only the elastic channel open), and for collisions involving a {sup 6}Li and two {sup 4}He atoms (two channels open).
NASA Astrophysics Data System (ADS)
Zhu, Xiaolei; Yarkony, David R.
2016-01-01
We have recently introduced a diabatization scheme, which simultaneously fits and diabatizes adiabatic ab initio electronic wave functions, Zhu and Yarkony J. Chem. Phys. 140, 024112 (2014). The algorithm uses derivative couplings in the defining equations for the diabatic Hamiltonian, Hd, and fits all its matrix elements simultaneously to adiabatic state data. This procedure ultimately provides an accurate, quantifiably diabatic, representation of the adiabatic electronic structure data. However, optimizing the large number of nonlinear parameters in the basis functions and adjusting the number and kind of basis functions from which the fit is built, which provide the essential flexibility, has proved challenging. In this work, we introduce a procedure that combines adiabatic state and diabatic state data to efficiently optimize the nonlinear parameters and basis function expansion. Further, we consider using direct properties based diabatizations to initialize the fitting procedure. To address this issue, we introduce a systematic method for eliminating the debilitating (diabolical) singularities in the defining equations of properties based diabatizations. We exploit the observation that if approximate diabatic data are available, the commonly used approach of fitting each matrix element of Hd individually provides a starting point (seed) from which convergence of the full Hd construction algorithm is rapid. The optimization of nonlinear parameters and basis functions and the elimination of debilitating singularities are, respectively, illustrated using the 1,2,3,41A states of phenol and the 1,21A states of NH3, states which are coupled by conical intersections.
Adiabatic topological quantum computing
NASA Astrophysics Data System (ADS)
Cesare, Chris; Landahl, Andrew J.; Bacon, Dave; Flammia, Steven T.; Neels, Alice
2015-07-01
Topological quantum computing promises error-resistant quantum computation without active error correction. However, there is a worry that during the process of executing quantum gates by braiding anyons around each other, extra anyonic excitations will be created that will disorder the encoded quantum information. Here, we explore this question in detail by studying adiabatic code deformations on Hamiltonians based on topological codes, notably Kitaev's surface codes and the more recently discovered color codes. We develop protocols that enable universal quantum computing by adiabatic evolution in a way that keeps the energy gap of the system constant with respect to the computation size and introduces only simple local Hamiltonian interactions. This allows one to perform holonomic quantum computing with these topological quantum computing systems. The tools we develop allow one to go beyond numerical simulations and understand these processes analytically.
Adiabatic Hyperspherical Analysis of Realistic Nuclear Potentials
NASA Astrophysics Data System (ADS)
Daily, K. M.; Kievsky, Alejandro; Greene, Chris H.
2015-12-01
Using the hyperspherical adiabatic method with the realistic nuclear potentials Argonne V14, Argonne V18, and Argonne V18 with the Urbana IX three-body potential, we calculate the adiabatic potentials and the triton bound state energies. We find that a discrete variable representation with the slow variable discretization method along the hyperradial degree of freedom results in energies consistent with the literature. However, using a Laguerre basis results in missing energy, even when extrapolated to an infinite number of basis functions and channels. We do not include the isospin T = 3/2 contribution in our analysis.
NASA Astrophysics Data System (ADS)
Han, Jong Goo; Park, Tae Hee; Moon, Yong Ho; Eom, Il Kyu
2016-03-01
We propose an efficient Markov feature extraction method for color image splicing detection. The maximum value among the various directional difference values in the discrete cosine transform domain of three color channels is used to choose the Markov features. We show that the discriminability for slicing detection is increased through the maximization process from the point of view of the Kullback-Leibler divergence. In addition, we present a threshold expansion and Markov state decomposition algorithm. Threshold expansion reduces the information loss caused by the coefficient thresholding that is used to restrict the number of Markov features. To compensate the increased number of features due to the threshold expansion, we propose an even-odd Markov state decomposition algorithm. A fixed number of features, regardless of the difference directions, color channels and test datasets, are used in the proposed algorithm. We introduce three kinds of Markov feature vectors. The number of Markov features for splicing detection used in this paper is relatively small compared to the conventional methods, and our method does not require additional feature reduction algorithms. Through experimental simulations, we demonstrate that the proposed method achieves high performance in splicing detection.
NASA Astrophysics Data System (ADS)
Ye, Hezhou; Yin, Yanhua; Wang, Jianfeng
2015-08-01
While commercially available computational fluid dynamic packages are employed nowadays to analyze the spraying behavior of the cold spray (CS) system and optimize the nozzle geometry design, using these packages is often prohibitive because of complex computational resource requirements and expensive copyright licenses. This paper proposes a quick and economical method for predicting the performance of the CS system, while asking for minimal computational resource. A one-dimensional adiabatic friction model with the consideration of friction was developed to calculate the critical pressure of nozzles under different expansion ratios and the gas/particle velocity at different spraying conditions. The accuracy of the critical pressure calculation was evidenced by polymeric nozzle destructive tests. The particle velocities achieved from the nozzles with different expansion ratios were measured and compared with the velocity values calculated by the model. The suggested adiabatic friction model is validated by the well-matched values between the calculated results and the experimental data.
NASA Astrophysics Data System (ADS)
Kovalchuk, Valery I.
2014-11-01
In this paper, a method has been developed to solve three-particle Faddeev equations in the configuration space making use of a series expansion in hyperspherical harmonics. The following parameters of the bound state of triton and helium-3 nuclei have been calculated: the binding energies, the weights of symmetric and mixed-symmetry components of the wave function, the magnetic moments, and the charge radii.
Some Remarks on the Riccati Equation Expansion Method for Variable Separation of Nonlinear Models
NASA Astrophysics Data System (ADS)
Zhang, Yu-Peng; Dai, Chao-Qing
2015-10-01
Based on the Riccati equation expansion method, 11 kinds of variable separation solutions with different forms of (2+1)-dimensional modified Korteweg-de Vries equation are obtained. The following two remarks on the Riccati equation expansion method for variable separation are made: (i) a remark on the equivalence of different solutions constructed by the Riccati equation expansion method. From analysis, we find that these seemly independent solutions with different forms actually depend on each other, and they can transform from one to another via some relations. We should avoid arbitrarily asserting so-called "new" solutions; (ii) a remark on the construction of localised excitation based on variable separation solutions. For two or multi-component systems, we must be careful with excitation structures constructed by all components for the same model lest the appearance of some un-physical structures. We hope that these results are helpful to deeply study exact solutions of nonlinear models in physical, engineering and biophysical contexts.
Extensive Adiabatic Invariants for Nonlinear Chains
NASA Astrophysics Data System (ADS)
Giorgilli, Antonio; Paleari, Simone; Penati, Tiziano
2012-09-01
We look for extensive adiabatic invariants in nonlinear chains in the thermodynamic limit. Considering the quadratic part of the Klein-Gordon Hamiltonian, by a linear change of variables we transform it into a sum of two parts in involution. At variance with the usual method of introducing normal modes, our constructive procedure allows us to exploit the complete resonance, while keeping the extensive nature of the system. Next we construct a nonlinear approximation of an extensive adiabatic invariant for a perturbation of the discrete nonlinear Schrödinger model. The fluctuations of this quantity are controlled via Gibbs measure estimates independent of the system size, for a large set of initial data at low specific energy. Finally, by numerical calculations we show that our adiabatic invariant is well conserved for times much longer than predicted by our first order theory, with fluctuation much smaller than expected according to standard statistical estimates.
NASA Astrophysics Data System (ADS)
Lu, Wangtao; Qian, Jianliang; Burridge, Robert
2016-05-01
In some applications, it is reasonable to assume that geodesics (rays) have a consistent orientation so that the Helmholtz equation can be viewed as an evolution equation in one of the spatial directions. With such applications in mind, starting from Babich's expansion, we develop a new high-order asymptotic method, which we dub the fast Huygens sweeping method, for solving point-source Helmholtz equations in inhomogeneous media in the high-frequency regime and in the presence of caustics. The first novelty of this method is that we develop a new Eulerian approach to compute the asymptotics, i.e. the traveltime function and amplitude coefficients that arise in Babich's expansion, yielding a locally valid solution, which is accurate close enough to the source. The second novelty is that we utilize the Huygens-Kirchhoff integral to integrate many locally valid wavefields to construct globally valid wavefields. This automatically treats caustics and yields uniformly accurate solutions both near the source and remote from it. The third novelty is that the butterfly algorithm is adapted to accelerate the Huygens-Kirchhoff summation, achieving nearly optimal complexity O (Nlog N), where N is the number of mesh points; the complexity prefactor depends on the desired accuracy and is independent of the frequency. To reduce the storage of the resulting tables of asymptotics in Babich's expansion, we use the multivariable Chebyshev series expansion to compress each table by encoding the information into a small number of coefficients. The new method enjoys the following desired features. First, it precomputes the asymptotics in Babich's expansion, such as traveltime and amplitudes. Second, it takes care of caustics automatically. Third, it can compute the point-source Helmholtz solution for many different sources at many frequencies simultaneously. Fourth, for a specified number of points per wavelength, it can construct the wavefield in nearly optimal complexity in terms
Complexity of the Quantum Adiabatic Algorithm
NASA Technical Reports Server (NTRS)
Hen, Itay
2013-01-01
The Quantum Adiabatic Algorithm (QAA) has been proposed as a mechanism for efficiently solving optimization problems on a quantum computer. Since adiabatic computation is analog in nature and does not require the design and use of quantum gates, it can be thought of as a simpler and perhaps more profound method for performing quantum computations that might also be easier to implement experimentally. While these features have generated substantial research in QAA, to date there is still a lack of solid evidence that the algorithm can outperform classical optimization algorithms.
Adiabatic approximation for nucleus-nucleus scattering
Johnson, R.C.
2005-10-14
Adiabatic approximations to few-body models of nuclear scattering are described with emphasis on reactions with deuterons and halo nuclei (frozen halo approximation) as projectiles. The different ways the approximation should be implemented in a consistent theory of elastic scattering, stripping and break-up are explained and the conditions for the theory's validity are briefly discussed. A formalism which links few-body models and the underlying many-body system is outlined and the connection between the adiabatic and CDCC methods is reviewed.
A study of the bending motion in tetratomic molecules by the algebraic operator expansion method.
Larese, Danielle; Caprio, Mark A; Pérez-Bernal, Francisco; Iachello, Francesco
2014-01-01
We study the bending motion in the tetratomic molecules C2H2 (X̃ (1)Σg (+)), C2H2 (Ã (1)Au) trans-S1, C2H2 (Ã (1)A2) cis-S1, and X̃ (1)A1 H2CO. We show that the algebraic operator expansion method with only linear terms comprised of the basic operators is able to describe the main features of the level energies in these molecules in terms of two (linear) or three (trans-bent, cis-bent, and branched) parameters. By including quadratic terms, the rms deviation in comparison with experiment goes down to typically ∼10 cm(-1) over the entire range of energy 0-6000 cm(-1). We determine the parameters by fitting the available data, and from these parameters we construct the algebraic potential functions. Our results are of particular interest in high-energy regions where spectra are very congested and conventional methods, force-field expansions or Dunham-expansions plus perturbations, are difficult to apply. PMID:24410226
Stochastic approach to the generalized Schrödinger equation: A method of eigenfunction expansion.
Tsuchida, Satoshi; Kuratsuji, Hiroshi
2015-05-01
Using a method of eigenfunction expansion, a stochastic equation is developed for the generalized Schrödinger equation with random fluctuations. The wave field ψ is expanded in terms of eigenfunctions: ψ=∑(n)a(n)(t)ϕ(n)(x), with ϕ(n) being the eigenfunction that satisfies the eigenvalue equation H(0)ϕ(n)=λ(n)ϕ(n), where H(0) is the reference "Hamiltonian" conventionally called the "unperturbed" Hamiltonian. The Langevin equation is derived for the expansion coefficient a(n)(t), and it is converted to the Fokker-Planck (FP) equation for a set {a(n)} under the assumption of Gaussian white noise for the fluctuation. This procedure is carried out by a functional integral, in which the functional Jacobian plays a crucial role in determining the form of the FP equation. The analyses are given for the FP equation by adopting several approximate schemes. PMID:26066158
Bazzani, A.; Turchetti, G.; Benedetti, C.; Rambaldi, S.; Servizi, G.
2005-06-08
In a high intensity circular accelerator the synchrotron dynamics introduces a slow modulation in the betatronic tune due to the space-charge tune depression. When the transverse motion is non-linear due to the presence of multipolar effects, resonance islands move in the phase space and change their amplitude. This effect introduces the trapping and detrapping phenomenon and a slow diffusion in the phase space. We apply the neo-adiabatic theory to describe this diffusion mechanism that can contribute to halo formation.
Fast Quasi-Adiabatic Gas Cooling: An Experiment Revisited
ERIC Educational Resources Information Center
Oss, S.; Gratton, L. M.; Calza, G.; Lopez-Arias, T.
2012-01-01
The well-known experiment of the rapid expansion and cooling of the air contained in a bottle is performed with a rapidly responsive, yet very cheap thermometer. The adiabatic, low temperature limit is approached quite closely and measured with our apparatus. A straightforward theoretical model for this process is also presented and discussed.…
Bleiziffer, Patrick; Krug, Marcel; Görling, Andreas
2015-06-28
A self-consistent Kohn-Sham method based on the adiabatic-connection fluctuation-dissipation (ACFD) theorem, employing the frequency-dependent exact exchange kernel fx is presented. The resulting SC-exact-exchange-only (EXX)-ACFD method leads to even more accurate correlation potentials than those obtained within the direct random phase approximation (dRPA). In contrast to dRPA methods, not only the Coulomb kernel but also the exact exchange kernel fx is taken into account in the EXX-ACFD correlation which results in a method that, unlike dRPA methods, is free of self-correlations, i.e., a method that treats exactly all one-electron systems, like, e.g., the hydrogen atom. The self-consistent evaluation of EXX-ACFD total energies improves the accuracy compared to EXX-ACFD total energies evaluated non-self-consistently with EXX or dRPA orbitals and eigenvalues. Reaction energies of a set of small molecules, for which highly accurate experimental reference data are available, are calculated and compared to quantum chemistry methods like Møller-Plesset perturbation theory of second order (MP2) or coupled cluster methods [CCSD, coupled cluster singles, doubles, and perturbative triples (CCSD(T))]. Moreover, we compare our methods to other ACFD variants like dRPA combined with perturbative corrections such as the second order screened exchange corrections or a renormalized singles correction. Similarly, the performance of our EXX-ACFD methods is investigated for the non-covalently bonded dimers of the S22 reference set and for potential energy curves of noble gas, water, and benzene dimers. The computational effort of the SC-EXX-ACFD method exhibits the same scaling of N(5) with respect to the system size N as the non-self-consistent evaluation of only the EXX-ACFD correlation energy; however, the prefactor increases significantly. Reaction energies from the SC-EXX-ACFD method deviate quite little from EXX-ACFD energies obtained non-self-consistently with dRPA orbitals
Bleiziffer, Patrick Krug, Marcel; Görling, Andreas
2015-06-28
A self-consistent Kohn-Sham method based on the adiabatic-connection fluctuation-dissipation (ACFD) theorem, employing the frequency-dependent exact exchange kernel f{sub x} is presented. The resulting SC-exact-exchange-only (EXX)-ACFD method leads to even more accurate correlation potentials than those obtained within the direct random phase approximation (dRPA). In contrast to dRPA methods, not only the Coulomb kernel but also the exact exchange kernel f{sub x} is taken into account in the EXX-ACFD correlation which results in a method that, unlike dRPA methods, is free of self-correlations, i.e., a method that treats exactly all one-electron systems, like, e.g., the hydrogen atom. The self-consistent evaluation of EXX-ACFD total energies improves the accuracy compared to EXX-ACFD total energies evaluated non-self-consistently with EXX or dRPA orbitals and eigenvalues. Reaction energies of a set of small molecules, for which highly accurate experimental reference data are available, are calculated and compared to quantum chemistry methods like Møller-Plesset perturbation theory of second order (MP2) or coupled cluster methods [CCSD, coupled cluster singles, doubles, and perturbative triples (CCSD(T))]. Moreover, we compare our methods to other ACFD variants like dRPA combined with perturbative corrections such as the second order screened exchange corrections or a renormalized singles correction. Similarly, the performance of our EXX-ACFD methods is investigated for the non-covalently bonded dimers of the S22 reference set and for potential energy curves of noble gas, water, and benzene dimers. The computational effort of the SC-EXX-ACFD method exhibits the same scaling of N{sup 5} with respect to the system size N as the non-self-consistent evaluation of only the EXX-ACFD correlation energy; however, the prefactor increases significantly. Reaction energies from the SC-EXX-ACFD method deviate quite little from EXX-ACFD energies obtained non
An Improved ((G'/G))-expansion Method for Solving Nonlinear PDEs in Mathematical Physics
Zayed, Elsayed M. E.; Al-Joudi, Shorog
2010-09-30
In the present article, we construct the traveling wave solutions of the (1+1)-dimensional coupled Hirota-Satsuma-KdV equations and the (1+1)-dimensional variant coupled Boussinesq system of equations by using an improved ((G'/G))-expansion method, where G satisfies the second order linear ordinary differential equation. As a result, hyperbolic, trigonometric and rational function solutions with parameters are obtained. It is shown that the proposed method is direct, effective and can be used for many other nonlinear evolution equations in mathematical physics.
Expanded-mode semiconductor laser with tapered-rib adiabatic-following fiber coupler
Vawter, G.A.; Smith, R.E.; Hou, H.; Wendt, J.R.
1997-02-01
A new diode laser using a Tapered-Rib Adiabatic-Following Fiber Coupler to achieve 2D mode expansion and narrow, symmetric far-field emission without epitaxial regrowth or sharply-defined tips on tapered waveguides is presented.
Adiabatic heating in impulsive solar flares
NASA Technical Reports Server (NTRS)
Maetzler, C.; Bai, T.; Crannell, C. J.; Frost, K. J.
1978-01-01
A study is made of adiabatic heating in two impulsive solar flares on the basis of dynamic X-ray spectra in the 28-254 keV range, H-alpha, microwave, and meter-wave radio observations. It is found that the X-ray spectra of the events are like those of thermal bremsstrahlung from single-temperature plasmas in the 10-60 keV range if photospheric albedo is taken into account. The temperature-emission correlation indicates adiabatic compression followed by adiabatic expansion and that the electron distribution remains isotropic. H-alpha data suggest compressive energy transfer. The projected areas and volumes of the flares are estimated assuming that X-ray and microwave emissions are produced in a single thermal plasma. Electron densities of about 10 to the 9th/cu cm are found for homogeneous, spherically symmetric sources. It is noted that the strong self-absorption of hot-plasma gyrosynchrotron radiation reveals low magnetic field strengths.
Yang, W.; Wu, H.; Cao, L.
2012-07-01
More and more MOX fuels are used in all over the world in the past several decades. Compared with UO{sub 2} fuel, it contains some new features. For example, the neutron spectrum is harder and more resonance interference effects within the resonance energy range are introduced because of more resonant nuclides contained in the MOX fuel. In this paper, the wavelets scaling function expansion method is applied to study the resonance behavior of plutonium isotopes within MOX fuel. Wavelets scaling function expansion continuous-energy self-shielding method is developed recently. It has been validated and verified by comparison to Monte Carlo calculations. In this method, the continuous-energy cross-sections are utilized within resonance energy, which means that it's capable to solve problems with serious resonance interference effects without iteration calculations. Therefore, this method adapts to treat the MOX fuel resonance calculation problem natively. Furthermore, plutonium isotopes have fierce oscillations of total cross-section within thermal energy range, especially for {sup 240}Pu and {sup 242}Pu. To take thermal resonance effect of plutonium isotopes into consideration the wavelet scaling function expansion continuous-energy resonance calculation code WAVERESON is enhanced by applying the free gas scattering kernel to obtain the continuous-energy scattering source within thermal energy range (2.1 eV to 4.0 eV) contrasting against the resonance energy range in which the elastic scattering kernel is utilized. Finally, all of the calculation results of WAVERESON are compared with MCNP calculation. (authors)
NASA Astrophysics Data System (ADS)
Chuang, C.-I.; Nyquist, D. P.; Chen, K.-M.; Drachman, B. C.
1985-10-01
The impulse response of an infinite, perfectly conducting thick cylinder to normally incident, transversely polarized, impulsive plane wave illumination is determined. Spectral-domain analysis based upon the singularity expansion method reveals that this response consists of a discrete series of natural resonance modes (natural frequencies are computed) augmented by a series of continuous-spectrum terms. The resultant late-time response demonstrates the correct 'creeping wave' behavior as predicted by the Fourier synthesis technique, but with far fewer terms required for convergence.
Axial expansion methods for solution of the multi-dimensional neutron diffusion equation
Beaklini Filho, J.F.
1984-01-01
The feasibility and practical implementation of axial expansion methods for the solution of the multi-dimensional multigroup neutron diffusion (MGD) equations is investigated. The theoretical examination which is applicable to the general MGD equations in arbitrary geometry includes the derivation of a new weak (reduced) form of the MGD equations by expanding the axial component of the neutron flux in a series of known trial functions and utilizing the Galerkin weighting. A general two-group albedo boundary condition is included in the weak form as a natural boundary condition. The application of different types of trial functions is presented.
Rapid maxillary expansion effects: An alternative assessment method by means of cone-beam tomography
Melgaço, Camilo Aquino; Columbano, José; Jurach, Estela Maris; Nojima, Matilde da Cunha Gonçalves; Sant'Anna, Eduardo Franzotti; Nojima, Lincoln Issamu
2014-01-01
INTRODUCTION: This study aims to develop a method to assess the changes in palatal and lingual cross-sectional areas in patients submitted to rapid maxillary expansion (RME). METHODS: The sample comprised 31 Class I malocclusion individuals submitted to RME and divided into two groups treated with Haas (17 patients) and Hyrax (14 patients) expanders. Cone-beam computed tomography scans were acquired at T0 (before expansion ) and T1 (six months after screw stabilization). Maxillary and mandibular cross-sectional areas were assessed at first permanent molars and first premolars regions and compared at T0 and T1. Mandibular occlusal area was also analyzed. RESULTS: Maxillary cross-sectional areas increased in 56.18 mm2 and 44.32 mm2 for the posterior and anterior regions. These values were smaller for the mandible, representing augmentation of 40.32 mm2 and 39.91 mm2 for posterior and anterior sections. No differences were found when comparing both expanders. Mandibular occlusal area increased 43.99mm2 and mandibular incisors proclined. Increments of 1.74 mm and 1.7 mm occurred in mandibular intermolar and interpremolar distances. These same distances presented increments of 5.5 mm and 5.57 mm for the maxillary arch. CONCLUSION: Occlusal and cross-sectional areas increased significantly after RME. The method described seems to be reliable and precise to assess intraoral area changes. PMID:25715721
Geometry of the Adiabatic Theorem
ERIC Educational Resources Information Center
Lobo, Augusto Cesar; Ribeiro, Rafael Antunes; Ribeiro, Clyffe de Assis; Dieguez, Pedro Ruas
2012-01-01
We present a simple and pedagogical derivation of the quantum adiabatic theorem for two-level systems (a single qubit) based on geometrical structures of quantum mechanics developed by Anandan and Aharonov, among others. We have chosen to use only the minimum geometric structure needed for the understanding of the adiabatic theorem for this case.…
Non-adiabatic resonant conversion of solar neutrinos in three generations
NASA Astrophysics Data System (ADS)
Kim, C. W.; Nussinov, S.; Sze, W. K.
1987-02-01
The survival probability of solar electron neutrinos after non-adiabatic passage through the resonance-oscillation region in the Sun is discussed for the case of three generations. A method to calculate three-generation Landau-Zener transition probabilities between adiabatic states is described. We also discuss how the Landua-Zener probability is modified in the extreme non-adiabatic case.
Time-domain incident-field extrapolation technique based on the singularity-expansion method
Klaasen, J.J.
1991-05-01
In this report, a method presented to extrapolate measurements from Nuclear Electromagnetic Pulse (NEMP) assessments directly in the time domain. This method is based on a time-domain extrapolation function which is obtained from the Singularity Expansion Method representation of the measured incident field of the NEMP simulator. Once the time-domain extrapolation function is determined, the responses recorded during an assessment can be extrapolated simply by convolving them with the time domain extrapolation function. It is found that to obtain useful extrapolated responses, the incident field measurements needs to be made minimum phase; otherwise unbounded results can be obtained. Results obtained with this technique are presented, using data from actual assessments.
Method for fabricating an ultra-low expansion mask blank having a crystalline silicon layer
Cardinale, Gregory F.
2002-01-01
A method for fabricating masks for extreme ultraviolet lithography (EUVL) using Ultra-Low Expansion (ULE) substrates and crystalline silicon. ULE substrates are required for the necessary thermal management in EUVL mask blanks, and defect detection and classification have been obtained using crystalline silicon substrate materials. Thus, this method provides the advantages for both the ULE substrate and the crystalline silicon in an Extreme Ultra-Violet (EUV) mask blank. The method is carried out by bonding a crystalline silicon wafer or member to a ULE wafer or substrate and thinning the silicon to produce a 5-10 .mu.m thick crystalline silicon layer on the surface of the ULE substrate. The thinning of the crystalline silicon may be carried out, for example, by chemical mechanical polishing and if necessary or desired, oxidizing the silicon followed by etching to the desired thickness of the silicon.
A Modal Expansion Equilibrium Cycle Perturbation Method for Optimizing High Burnup Fast Reactors
NASA Astrophysics Data System (ADS)
Touran, Nicholas W.
This dissertation develops a simulation tool capable of optimizing advanced nuclear reactors considering the multiobjective nature of their design. An Enhanced Equilibrium Cycle (EEC) method based on the classic equilibrium method is developed to evaluate the response of the equilibrium cycle to changes in the core design. Advances are made in the consideration of burnup-dependent cross sections and dynamic fuel performance (fission gas release, fuel growth, and bond squeeze-out) to allow accuracy in high-burnup reactors such as the Traveling Wave Reactor. EEC is accelerated for design changes near a reference state through a new modal expansion perturbation method that expands arbitrary flux perturbations on a basis of λ-eigenmodes. A code is developed to solve the 3-D, multigroup diffusion equation with an Arnoldi-based solver that determines hundreds of the reference flux harmonics and later uses these harmonics to determine expansion coefficients required to approximate the perturbed flux. The harmonics are only required for the reference state, and many substantial and localized perturbations from this state are shown to be well-approximated with efficient expressions after the reference calculation is performed. The modal expansion method is coupled to EEC to produce the later-in-time response of each design perturbation. Because the code determines the perturbed flux explicitly, a wide variety of core performance metrics may be monitored by working within a recently-developed data management system called the ARMI. Through ARMI, the response of each design perturbation may be evaluated not only for the flux and reactivity, but also for reactivity coefficients, thermal hydraulics parameters, economics, and transient performance. Considering the parameters available, an automated optimization framework is designed and implemented. A non-parametric surrogate model using the Alternating Conditional Expectation (ACE) algorithm is trained with many design
SU-E-J-221: A Novel Expansion Method for MRI Based Target Delineation in Prostate Radiotherapy
Ruiz, B; Feng, Y; Shores, R; Fung, C
2015-06-15
Purpose: To compare a novel bladder/rectum carveout expansion method on MRI delineated prostate to standard CT and expansion based methods for maintaining prostate coverage while providing superior bladder and rectal sparing. Methods: Ten prostate cases were planned to include four trials: MRI vs CT delineated prostate/proximal seminal vesicles, and each image modality compared to both standard expansions (8mm 3D expansion and 5mm posterior, i.e. ∼8mm) and carveout method expansions (5mm 3D expansion, 4mm posterior for GTV-CTV excluding expansion into bladder/rectum followed by additional 5mm 3D expansion to PTV, i.e. ∼1cm). All trials were planned to total dose 7920 cGy via IMRT. Evaluation and comparison was made using the following criteria: QUANTEC constraints for bladder/rectum including analysis of low dose regions, changes in PTV volume, total control points, and maximum hot spot. Results: ∼8mm MRI expansion consistently produced the most optimal plan with lowest total control points and best bladder/rectum sparing. However, this scheme had the smallest prostate (average 22.9% reduction) and subsequent PTV volume, consistent with prior literature. ∼1cm MRI had an average PTV volume comparable to ∼8mm CT at 3.79% difference. Bladder QUANTEC constraints were on average less for the ∼1cm MRI as compared to the ∼8mm CT and observed as statistically significant with 2.64% reduction in V65. Rectal constraints appeared to follow the same trend. Case-by-case analysis showed variation in rectal V30 with MRI delineated prostate being most favorable regardless of expansion type. ∼1cm MRI and ∼8mm CT had comparable plan quality. Conclusion: MRI delineated prostate with standard expansions had the smallest PTV leading to margins that may be too tight. Bladder/rectum carveout expansion method on MRI delineated prostate was found to be superior to standard CT based methods in terms of bladder and rectal sparing while maintaining prostate coverage
An operator expansion method for computing nonlinear surface waves on a ferrofluid jet
NASA Astrophysics Data System (ADS)
Guyenne, Philippe; Părău, Emilian I.
2016-09-01
We present a new numerical method to simulate the time evolution of axisymmetric nonlinear waves on the surface of a ferrofluid jet. It is based on the reduction of this problem to a lower-dimensional computation involving surface variables alone. To do so, we describe the associated Dirichlet-Neumann operator in terms of a Taylor series expansion where each term can be efficiently computed by a pseudo-spectral scheme using the fast Fourier transform. We show detailed numerical tests on the convergence of this operator and, to illustrate the performance of our method, we simulate the long-time propagation and pairwise collisions of axisymmetric solitary waves. Both depression and elevation waves are examined by varying the magnetic field. Comparisons with weakly nonlinear predictions are also provided.
Spherical Harmonic Expansion Method for Coupled Electron-Phonon Boltzmann Transport
NASA Astrophysics Data System (ADS)
Santia, Marco; Albrecht, John
2014-03-01
Thermoelectric transport modeling often relies on independent Boltzmann transport equations (BTEs) for electrons and phonons which work best near equilibrium (linearized) and steady-state. Device design relies heavily on this baseline approximation. Monte Carlo methods can allow for complex physical interactions (e.g., anharmonicity) but their stochastic nature has practical limits. Distribution functions with wide disparities in population (e.g., ratios >108 between majority and minority carriers.[1]) are a computational challenge. We present a coupled BTE solver based on a k-space spherical harmonic expansion (SHE) of the distribution functions and eigenstates of electrons and phonons. The method is deterministic and allows for detailed treatments of scattering processes, yet ameliorates the issues with population disparity within phase space. We set the formalism and examine the accuracy of the SHE for phonon band structures, calculate scattering rates determined within that representation, and compare our preliminary results for distribution statistics in control examples such as thermal conductivity and drift velocity.
Pole positions and residues from pion photoproduction using the Laurent-Pietarinen expansion method
NASA Astrophysics Data System (ADS)
Švarc, Alfred; Hadžimehmedović, Mirza; Osmanović, Hedim; Stahov, Jugoslav; Tiator, Lothar; Workman, Ron L.
2014-06-01
We applied a new approach to determine the pole positions and residues from pion photoproduction multipoles. The method is based on a Laurent expansion of the partial-wave T matrices, with a Pietarinen series representing the regular part of energy-dependent and single-energy photoproduction solutions. The method is applied to multipole fits generated by the MAID and George Washington University SAID (GWU-SAID) groups. We show that the number and properties of poles extracted from photoproduction data correspond very well to results from πN elastic data and values cited by the Particle Data Group (PDG). The photoproduction residues provide new information for the electromagnetic current at the pole position, which are independent of background parametrizations, which is not the case for the Breit-Wigner representation. Finally, we present the photodecay amplitudes from the current MAID and SAID solutions at the pole for all four-star nucleon resonances below W =2 GeV.
Application of Gaussian expansion method to nuclear mean-field calculations with deformation
NASA Astrophysics Data System (ADS)
Nakada, H.
2008-08-01
We extensively develop a method of implementing mean-field calculations for deformed nuclei, using the Gaussian expansion method (GEM). This GEM algorithm has the following advantages: (i) it can efficiently describe the energy-dependent asymptotics of the wave functions at large r, (ii) it is applicable to various effective interactions including those with finite ranges, and (iii) the basis parameters are insensitive to nuclide, thereby many nuclei in wide mass range can be handled by a single set of bases. Superposing the spherical GEM bases with feasible truncation for the orbital angular momentum, we obtain deformed single-particle wave-functions to reasonable precision. We apply the new algorithm to the Hartree-Fock and the Hartree-Fock-Bogolyubov calculations of Mg nuclei with the Gogny interaction, by which neck structure of a deformed neutron halo is suggested for 40Mg.
Validation of the activity expansion method with ultrahigh pressure shock equations of state
NASA Astrophysics Data System (ADS)
Rogers, Forrest J.; Young, David A.
1997-11-01
Laser shock experiments have recently been used to measure the equation of state (EOS) of matter in the ultrahigh pressure region between condensed matter and a weakly coupled plasma. Some ultrahigh pressure data from nuclear-generated shocks are also available. Matter at these conditions has proven very difficult to treat theoretically. The many-body activity expansion method (ACTEX) has been used for some time to calculate EOS and opacity data in this region, for use in modeling inertial confinement fusion and stellar interior plasmas. In the present work, we carry out a detailed comparison with the available experimental data in order to validate the method. The agreement is good, showing that ACTEX adequately describes strongly shocked matter.
Calculation of Coherent Synchrotron Radiation Impedance Using the Mode Expansion Method
Stupakov, G.V.; Kotelnikov, I.A.; /Novosibirsk, IYF
2009-12-09
We study an impedance due to coherent synchrotron radiation (CSR) generated by a short bunch of charged particles passing through a dipole magnet of finite length in a vacuum chamber of a given cross section. In our method we decompose the electromagnetic field of the beam over the eigenmodes of the toroidal chamber and derive a system of equations for the expansion coefficients in the series. The general method is further specialized for a toroidal vacuum chamber of a rectangular cross section where the eigenmodes can be computed analytically. We also develop a computer code that calculates the CSR impedance for a toroid of rectangular cross section. Numerical results obtained with the code are presented in the paper.
Zhang, Yongliang; Chen, Yu; Li, David Day-Uei
2016-06-27
Fast deconvolution is an essential step to calibrate instrument responses in big fluorescence lifetime imaging microscopy (FLIM) image analysis. This paper examined a computationally effective least squares deconvolution method based on Laguerre expansion (LSD-LE), recently developed for clinical diagnosis applications, and proposed new criteria for selecting Laguerre basis functions (LBFs) without considering the mutual orthonormalities between LBFs. Compared with the previously reported LSD-LE, the improved LSD-LE allows to use a higher laser repetition rate, reducing the acquisition time per measurement. Moreover, we extended it, for the first time, to analyze bi-exponential fluorescence decays for more general FLIM-FRET applications. The proposed method was tested on both synthesized bi-exponential and realistic FLIM data for studying the endocytosis of gold nanorods in Hek293 cells. Compared with the previously reported constrained LSD-LE, it shows promising results. PMID:27410552
Adiabatic principles in atom-diatom collisional energy transfer
Hovingh, W.J.
1993-01-01
This work describes the application of numerical methods to the solution of the time dependent Schroedinger equation for non-reactive atom-diatom collisions in which only one of the degrees of freedom has been removed. The basic method involves expanding the wave function in a basis set in two of the diatomic coordinates in a body-fixed frame (with respect to the triatomic complex) and defining the coefficients in that expansion as functions on a grid in the collision coordinate. The wave function is then propagated in time using a split operator method. The bulk of this work is devoted to the application of this formalism to the study of internal rotational predissociation in NeHF, in which quasibound states of the triatom predissociate through the transfer of energy from rotation of the diatom into translational energy in the atom-diatom separation coordinate. The author analyzes the computed time dependent wave functions to calculate the lifetimes for several quasibound states; these are in agreement with time independent quantum calculations using the same potential. Moreover, the time dependent behavior of the wave functions themselves sheds light on the dynamics of the predissociation processes. Finally, the partial cross sections of the products in those processes is determined with multiple exit channels. These show strong selectivity in the orbital angular momentum of the outgoing fragments, which the author explains with an adiabatic channel interpretation of the wave function's dynamics. The author also suggests that the same formalism might profitably be used to investigate the quantum dynamics of [open quotes]quasiresonant vibration-rotation transfer[close quotes], in which remarkably strong propensity rules in certain inelastic atom-diatom collision arise from classical adiabatic invariance theory.
Feasibility of a wavelet expansion method to treat energy in cell calculations
Van Rooijen, W. F. G.
2012-07-01
This paper discusses the application of the Discrete Wavelet Transform (DWT) for the functional expansion of the energy variable in a cell calculation. The motivation of the work is the desire to obtain a self-shielding methodology in which the treatment of the energy variable in a given material region can be automatically adapted to the complexity of the cross section in that region. Unfortunately, the work presented in this paper shows that it is generally not possible to obtain the desired adaptivity. The most fundamental reason is that in a multi-region system, the energy dependence of the flux in a given material region is a function of the energy dependent cross sections and sources in all material regions through which the neutrons have crossed before entering into the present material. The complexity of the energy dependence of the cross section in a material region is thus not necessarily linked to the energy dependence of the flux in that region. If one sacrifices the objective of adaptivity, then an accurate method can be obtained using the DWT as a functional expansion. However, the resulting system of equations is more complicated than the direct solution of a hyper-fine group calculation. The conclusion is thus that the DWT approach is not very practical. (authors)
Plume expansion of a laser-induced plasma studied with the particle-in-cell method
NASA Astrophysics Data System (ADS)
Ellegaard, O.; Nedelea, T.; Schou, J.; Urbassek, H. M.
2002-09-01
The initial stage of laser-induced plasma plume expansion from a solid in vacuum and the effect of the Coulomb field have been studied. We have performed a one-dimensional numerical calculation by mapping the charge on a computational grid according to the particle-in-cell (PIC) method of Birdsall et al. It is assumed that the particle ablation from a surface with a fixed temperature takes place as a pulse, i.e. within a finite period of time. A number of characteristic quantities for the plasma plume are compared with similar data for expansion of neutrals as well as fluid models: Density profiles n( x, t), velocity distributions of ions u( x, t), distribution functions for velocities F( vx) of ions or electrons as well as the time dependence of kinetic energy Ekin( t) for both type of particles. We found a significant increase in the velocities of the ions at the expense of field potential energy as well as electron energy. We have estimated the time constant for energy transfer between the electrons and the ions. The scaling of these processes is given by a single parameter determined by the Debye length obtained from the electron density in the plasma outside the surface.
Startup of the RFP in a quasi-adiabatic mode
Caramana, E.J.
1980-01-01
The equations describing the purely adiabatic formation of the reversed-field pinch are solved. This method of formation in principle remedies the problem of flux consumption during the startup phase of this device.
Nishimoto, Yoshio
2015-09-07
We develop a formalism for the calculation of excitation energies and excited state gradients for the self-consistent-charge density-functional tight-binding method with the third-order contributions of a Taylor series of the density functional theory energy with respect to the fluctuation of electron density (time-dependent density-functional tight-binding (TD-DFTB3)). The formulation of the excitation energy is based on the existing time-dependent density functional theory and the older TD-DFTB2 formulae. The analytical gradient is computed by solving Z-vector equations, and it requires one to calculate the third-order derivative of the total energy with respect to density matrix elements due to the inclusion of the third-order contributions. The comparison of adiabatic excitation energies for selected small and medium-size molecules using the TD-DFTB2 and TD-DFTB3 methods shows that the inclusion of the third-order contributions does not affect excitation energies significantly. A different set of parameters, which are optimized for DFTB3, slightly improves the prediction of adiabatic excitation energies statistically. The application of TD-DFTB for the prediction of absorption and fluorescence energies of cresyl violet demonstrates that TD-DFTB3 reproduced the experimental fluorescence energy quite well.
Nishimoto, Yoshio
2015-09-01
We develop a formalism for the calculation of excitation energies and excited state gradients for the self-consistent-charge density-functional tight-binding method with the third-order contributions of a Taylor series of the density functional theory energy with respect to the fluctuation of electron density (time-dependent density-functional tight-binding (TD-DFTB3)). The formulation of the excitation energy is based on the existing time-dependent density functional theory and the older TD-DFTB2 formulae. The analytical gradient is computed by solving Z-vector equations, and it requires one to calculate the third-order derivative of the total energy with respect to density matrix elements due to the inclusion of the third-order contributions. The comparison of adiabatic excitation energies for selected small and medium-size molecules using the TD-DFTB2 and TD-DFTB3 methods shows that the inclusion of the third-order contributions does not affect excitation energies significantly. A different set of parameters, which are optimized for DFTB3, slightly improves the prediction of adiabatic excitation energies statistically. The application of TD-DFTB for the prediction of absorption and fluorescence energies of cresyl violet demonstrates that TD-DFTB3 reproduced the experimental fluorescence energy quite well. PMID:26342360
NASA Astrophysics Data System (ADS)
Sai Venkata Ramana, A.
2016-01-01
In this paper, we have applied the seventh order version of coupling parameter expansion (CPE) method combined with global renormalization group theory (GRGT) to square well fluids of various ranges and have performed the following studies. Firstly, the convergence of the GRGT iteration scheme has been studied. It is observed that the point-wise convergence is non-uniform and slow in the coexistence region away from the critical point. However, the point-wise convergence improved as the critical temperature is approached. Secondly, we have obtained the liquid-vapor phase diagrams (LVPDs) for the square well fluids. The LVPDs obtained using GRGT corrected seventh order CPE are significantly accurate over those obtained from GRGT corrected 1-order thermodynamic perturbation theory (TPT). Also, excessive flatness of LVPDs close to the critical region as observed in GRGT corrected 1-order TPT has not been seen in the LVPDs of present method. Thirdly, the critical exponents have been obtained using present method. The exponents are seen to be of Ising universality class and follow the Rushbrooke and Griffiths equalities qualitatively. Finally, a study of Yang-Yang anomaly has been done using our method. It has been observed that the method predicts the existence of the anomaly but the predictions of the strength of anomaly differed from those of simulations. The reasons for the differences are analyzed.
High order spatial expansion for the method of characteristics applied to 3-D geometries
Naymeh, L.; Masiello, E.; Sanchez, R.
2013-07-01
The method of characteristics is an efficient and flexible technique to solve the neutron transport equation and has been extensively used in two-dimensional calculations because it permits to deal with complex geometries. However, because of a very fast increase in storage requirements and number of floating operations, its direct application to three-dimensional routine transport calculations it is not still possible. In this work we introduce and analyze several modifications aimed to reduce memory requirements and to diminish the computing burden. We explore high-order spatial approximation, the use of intermediary trajectory-dependent flux expansions and the possibility of dynamic trajectory reconstruction from local tracking for typed subdomains. (authors)
Error analysis of the quadratic nodal expansion method in slab geometry
Penland, R.C.; Turinsky, P.J.; Azmy, Y.Y.
1994-10-01
As part of an effort to develop an adaptive mesh refinement strategy for use in state-of-the-art nodal diffusion codes, the authors derive error bounds on the solution variables of the quadratic Nodal Expansion Method (NEM) in slab geometry. Closure of the system is obtained through flux discontinuity relationships and boundary conditions. In order to verify the analysis presented, the authors compare the quadratic NEM to the analytic solution of a test problem. The test problem for this investigation is a one-dimensional slab [0,20cm] with L{sup 2} = 6.495cm{sup 2} and D = 0.1429cm. The slab has a unit neutron source distributed uniformly throughout and zero flux boundary conditions. The analytic solution to this problem is used to compute the node-average fluxes over a variety of meshes, and these are used to compute the NEM maximum error on each mesh.
NASA Astrophysics Data System (ADS)
Tang, Chen; Zhang, Junjiang; Sun, Chen; Su, Yonggang; Su, Kai Leung
2015-05-01
Nuclear graphite has been widely used as moderating and reflecting materials. However, due to severe neutron irradiation under high temperature, nuclear graphite is prone to deteriorate, resulting in massive microscopic flaws and even cracks under large stress in the later period of its service life. It is indispensable, therefore, to understand the fracture behavior of nuclear graphite to provide reference to structural integrity and safety analysis of nuclear graphite members in reactors. In this paper, we investigated the fracture expansion in nuclear graphite based on PDE image processing methods. We used the second-order oriented partial differential equations filtering model (SOOPDE) to denoise speckle noise, then used the oriented gradient vector fields for to obtain skeletons. The full-field displacement of fractured nuclear graphite and the location of the crack tip were lastly measured under various loading conditions.
NASA Astrophysics Data System (ADS)
Olsen, Jeppe
2014-07-01
A novel algorithm is introduced for the transformation of wave functions between the bases of Slater determinants (SD) and configuration state functions (CSF) in the genealogical coupling scheme. By modifying the expansion coefficients as each electron is spin-coupled, rather than performing a single many-electron transformation, the large transformation matrix that plagues previous approaches is avoided and the required number of operations is drastically reduced. As an example of the efficiency of the algorithm, the transformation for a configuration with 30 unpaired electrons and singlet spin is discussed. For this case, the 10 × 106 coefficients in the CSF basis is obtained from the 150 × 106 coefficients in the SD basis in 1 min, which should be compared with the seven years that the previously employed method is estimated to require.
Olsen, Jeppe
2014-07-21
A novel algorithm is introduced for the transformation of wave functions between the bases of Slater determinants (SD) and configuration state functions (CSF) in the genealogical coupling scheme. By modifying the expansion coefficients as each electron is spin-coupled, rather than performing a single many-electron transformation, the large transformation matrix that plagues previous approaches is avoided and the required number of operations is drastically reduced. As an example of the efficiency of the algorithm, the transformation for a configuration with 30 unpaired electrons and singlet spin is discussed. For this case, the 10 × 10(6) coefficients in the CSF basis is obtained from the 150 × 10(6) coefficients in the SD basis in 1 min, which should be compared with the seven years that the previously employed method is estimated to require. PMID:25053306
Lattice Boltzmann method for bosons and fermions and the fourth-order Hermite polynomial expansion.
Coelho, Rodrigo C V; Ilha, Anderson; Doria, Mauro M; Pereira, R M; Aibe, Valter Yoshihiko
2014-04-01
The Boltzmann equation with the Bhatnagar-Gross-Krook collision operator is considered for the Bose-Einstein and Fermi-Dirac equilibrium distribution functions. We show that the expansion of the microscopic velocity in terms of Hermite polynomials must be carried to the fourth order to correctly describe the energy equation. The viscosity and thermal coefficients, previously obtained by Yang et al. [Shi and Yang, J. Comput. Phys. 227, 9389 (2008); Yang and Hung, Phys. Rev. E 79, 056708 (2009)] through the Uehling-Uhlenbeck approach, are also derived here. Thus the construction of a lattice Boltzmann method for the quantum fluid is possible provided that the Bose-Einstein and Fermi-Dirac equilibrium distribution functions are expanded to fourth order in the Hermite polynomials. PMID:24827360
Olsen, Jeppe
2014-07-21
A novel algorithm is introduced for the transformation of wave functions between the bases of Slater determinants (SD) and configuration state functions (CSF) in the genealogical coupling scheme. By modifying the expansion coefficients as each electron is spin-coupled, rather than performing a single many-electron transformation, the large transformation matrix that plagues previous approaches is avoided and the required number of operations is drastically reduced. As an example of the efficiency of the algorithm, the transformation for a configuration with 30 unpaired electrons and singlet spin is discussed. For this case, the 10 × 10{sup 6} coefficients in the CSF basis is obtained from the 150 × 10{sup 6} coefficients in the SD basis in 1 min, which should be compared with the seven years that the previously employed method is estimated to require.
Comparing regression methods for the two-stage clonal expansion model of carcinogenesis.
Kaiser, J C; Heidenreich, W F
2004-11-15
In the statistical analysis of cohort data with risk estimation models, both Poisson and individual likelihood regressions are widely used methods of parameter estimation. In this paper, their performance has been tested with the biologically motivated two-stage clonal expansion (TSCE) model of carcinogenesis. To exclude inevitable uncertainties of existing data, cohorts with simple individual exposure history have been created by Monte Carlo simulation. To generate some similar properties of atomic bomb survivors and radon-exposed mine workers, both acute and protracted exposure patterns have been generated. Then the capacity of the two regression methods has been compared to retrieve a priori known model parameters from the simulated cohort data. For simple models with smooth hazard functions, the parameter estimates from both methods come close to their true values. However, for models with strongly discontinuous functions which are generated by the cell mutation process of transformation, the Poisson regression method fails to produce reliable estimates. This behaviour is explained by the construction of class averages during data stratification. Thereby, some indispensable information on the individual exposure history was destroyed. It could not be repaired by countermeasures such as the refinement of Poisson classes or a more adequate choice of Poisson groups. Although this choice might still exist we were unable to discover it. In contrast to this, the individual likelihood regression technique was found to work reliably for all considered versions of the TSCE model. PMID:15490436
NASA Astrophysics Data System (ADS)
Huang, He
In this thesis, I present the results of studies of the structural properties and phase transition of a charge neutral FCC Lattice Gas with Yukawa Interaction and discuss a novel fast calculation algorithm---Accelerated Cartesian Expansion (ACE) method. In the first part of my thesis, I discuss the results of Monte Carlo simulations carried out to understand the finite temperature (phase transition) properties and the ground state structure of a Yukawa Lattice Gas (YLG) model. In this model the ions interact via the potential q iqjexp(-kappar> ij)/rij where qi,j are the charges of the ions located at the lattice sites i and j with position vectors R i and Rj; rij = Ri-Rj, kappa is a measure of the range of the interaction and is called the screening parameter. This model approximates an interesting quaternary system of great current thermoelectric interest called LAST-m, AgSbPbmTem+2. I have also developed rapid calculation methods for the potential energy calculation in a lattice gas system with periodic boundary condition bases on the Ewald summation method and coded the algorithm to compute the energies in MC simulation. Some of the interesting results of the MC simulations are: (i) how the nature and strength of the phase transition depend on the range of interaction (Yukawa screening parameter kappa) (ii) what is the degeneracy of the ground state for different values of the concentration of charges, and (iii) what is the nature of two-stage disordering transition seen for certain values of x. In addition, based on the analysis of the surface energy of different nano-clusters formed near the transition temperature, the solidification process and the rate of production of these nano-clusters have been studied. In the second part of my thesis, we have developed two methods for rapidly computing potentials of the form R-nu. Both these methods are founded on addition theorems based on Taylor expansions. Taylor's series has a couple of inherent advantages: (i) it
Multisurface Adiabatic Reactive Molecular Dynamics.
Nagy, Tibor; Yosa Reyes, Juvenal; Meuwly, Markus
2014-04-01
Adiabatic reactive molecular dynamics (ARMD) simulation method is a surface-crossing algorithm for modeling chemical reactions in classical molecular dynamics simulations using empirical force fields. As the ARMD Hamiltonian is time dependent during crossing, it allows only approximate energy conservation. In the current work, the range of applicability of conventional ARMD is explored, and a new multisurface ARMD (MS-ARMD) method is presented, implemented in CHARMM and applied to the vibrationally induced photodissociation of sulfuric acid (H2SO4) in the gas phase. For this, an accurate global potential energy surface (PES) involving 12 H2SO4 and 4 H2O + SO3 force fields fitted to MP2/6-311G++(2d,2p) reference energies is employed. The MS-ARMD simulations conserve total energy and feature both intramolecular H-transfer reactions and water elimination. An analytical treatment of the dynamics in the crossing region finds that conventional ARMD can approximately conserve total energy for limiting cases. In one of them, the reduced mass of the system is large, which often occurs for simulations of solvated biomolecular systems. On the other hand, MS-ARMD is a general approach for modeling chemical reactions including gas-phase, homogeneous, heterogeneous, and enzymatic catalytic reactions while conserving total energy in atomistic simulations. PMID:26580356
Sever, Martin; Krč, Janez; Čampa, Andrej; Topič, Marko
2015-11-30
Finite element method is coupled with Huygens' expansion to determine light intensity distribution of scattered light in solar cells and other optoelectronic devices. The rigorous foundation of the modelling enables calculation of the light intensity distribution at a chosen distance and surface of observation in chosen material in reflection or in transmission for given wavelength of the incident light. The calculation of scattering or anti-reflection properties is not limited to a single textured interface, but can be done above more complex structures with several scattering interfaces or even with particles involved. Both scattering at periodic and at random textures can be efficiently handled with the modelling approach. A procedure for minimisation of the effect of small-area sample, which is considered in the finite element method calculation, is proposed and implemented into the modelling. Angular distribution function, total transmission and total reflection of the scattering interface or structure can be determined using the model. Furthermore, a method for calculation of the haze parameter of reflected or transmitted light is proposed. The modelling approach is applied to periodic and random nano-textured samples for photovoltaic applications, showing good agreement with measured data. PMID:26698803
Quantum Monte Carlo simulations of tunneling in quantum adiabatic optimization
NASA Astrophysics Data System (ADS)
Brady, Lucas T.; van Dam, Wim
2016-03-01
We explore to what extent path-integral quantum Monte Carlo methods can efficiently simulate quantum adiabatic optimization algorithms during a quantum tunneling process. Specifically we look at symmetric cost functions defined over n bits with a single potential barrier that a successful quantum adiabatic optimization algorithm will have to tunnel through. The height and width of this barrier depend on n , and by tuning these dependencies, we can make the optimization algorithm succeed or fail in polynomial time. In this article we compare the strength of quantum adiabatic tunneling with that of path-integral quantum Monte Carlo methods. We find numerical evidence that quantum Monte Carlo algorithms will succeed in the same regimes where quantum adiabatic optimization succeeds.
Quantum Adiabatic Algorithms and Large Spin Tunnelling
NASA Technical Reports Server (NTRS)
Boulatov, A.; Smelyanskiy, V. N.
2003-01-01
We provide a theoretical study of the quantum adiabatic evolution algorithm with different evolution paths proposed in this paper. The algorithm is applied to a random binary optimization problem (a version of the 3-Satisfiability problem) where the n-bit cost function is symmetric with respect to the permutation of individual bits. The evolution paths are produced, using the generic control Hamiltonians H (r) that preserve the bit symmetry of the underlying optimization problem. In the case where the ground state of H(0) coincides with the totally-symmetric state of an n-qubit system the algorithm dynamics is completely described in terms of the motion of a spin-n/2. We show that different control Hamiltonians can be parameterized by a set of independent parameters that are expansion coefficients of H (r) in a certain universal set of operators. Only one of these operators can be responsible for avoiding the tunnelling in the spin-n/2 system during the quantum adiabatic algorithm. We show that it is possible to select a coefficient for this operator that guarantees a polynomial complexity of the algorithm for all problem instances. We show that a successful evolution path of the algorithm always corresponds to the trajectory of a classical spin-n/2 and provide a complete characterization of such paths.
Inertial effects in adiabatically driven flashing ratchets
NASA Astrophysics Data System (ADS)
Rozenbaum, Viktor M.; Makhnovskii, Yurii A.; Shapochkina, Irina V.; Sheu, Sheh-Yi; Yang, Dah-Yen; Lin, Sheng Hsien
2014-05-01
We study analytically the effect of a small inertial correction on the properties of adiabatically driven flashing ratchets. Parrondo's lemma [J. M. R. Parrondo, Phys. Rev. E 57, 7297 (1998), 10.1103/PhysRevE.57.7297] is generalized to include the inertial term so as to establish the symmetry conditions allowing directed motion (other than in the overdamped massless case) and to obtain a high-temperature expansion of the motion velocity for arbitrary potential profiles. The inertial correction is thus shown to enhance the ratchet effect at all temperatures for sawtooth potentials and at high temperatures for simple potentials described by the first two harmonics. With the special choice of potentials represented by at least the first three harmonics, the correction gives rise to the motion reversal in the high-temperature region. In the low-temperature region, inertia weakens the ratchet effect, with the exception of the on-off model, where diffusion is important. The directed motion adiabatically driven by potential sign fluctuations, though forbidden in the overdamped limit, becomes possible due to purely inertial effects in neither symmetric nor antisymmetric potentials, i.e., not for commonly used sawtooth and two-sinusoid profiles.
A NOVEL ENVIRONMENT FRIENDLY METHOD FOR EXPANSION AND MOLDING OF POLYMERIC FOAM
The objective of the project is to develop an environment friendly, novel and efficient alternative process for expansion and molding of polymeric foam. Spherical, expandable polymer beads are prepared from liquid monomer suspended in an aqueous medium, containing an expansion...
Use of advanced particle methods in modeling space propulsion and its supersonic expansions
NASA Astrophysics Data System (ADS)
Borner, Arnaud
This research discusses the use of advanced kinetic particle methods such as Molecular Dynamics (MD) and direct simulation Monte Carlo (DSMC) to model space propulsion systems such as electrospray thrusters and their supersonic expansions. MD simulations are performed to model an electrospray thruster for the ionic liquid (IL) EMIM--BF4 using coarse-grained (CG) potentials. The model is initially featuring a constant electric field applied in the longitudinal direction. Two coarse-grained potentials are compared, and the effective-force CG (EFCG) potential is found to predict the formation of the Taylor cone, the cone-jet, and other extrusion modes for similar electric fields and mass flow rates observed in experiments of a IL fed capillary-tip-extractor system better than the simple CG potential. Later, one-dimensional and fully transient three-dimensional electric fields, the latter solving Poisson's equation to take into account the electric field due to space charge at each timestep, are computed by coupling the MD model to a Poisson solver. It is found that the inhomogeneous electric field as well as that of the IL space-charge improve agreement between modeling and experiment. The boundary conditions (BCs) are found to have a substantial impact on the potential and electric field, and the tip BC is introduced and compared to the two previous BCs, named plate and needle, showing good improvement by reducing unrealistically high radial electric fields generated in the vicinity of the capillary tip. The influence of the different boundary condition models on charged species currents as a function of the mass flow rate is studied, and it is found that a constant electric field model gives similar agreement to the more rigorous and computationally expensive tip boundary condition at lower flow rates. However, at higher mass flow rates the MD simulations with the constant electric field produces extruded particles with higher Coulomb energy per ion, consistent with
Adiabatic Quantum Optimization for Associative Memory Recall
NASA Astrophysics Data System (ADS)
Seddiqi, Hadayat; Humble, Travis
2014-12-01
Hopfield networks are a variant of associative memory that recall patterns stored in the couplings of an Ising model. Stored memories are conventionally accessed as fixed points in the network dynamics that correspond to energetic minima of the spin state. We show that memories stored in a Hopfield network may also be recalled by energy minimization using adiabatic quantum optimization (AQO). Numerical simulations of the underlying quantum dynamics allow us to quantify AQO recall accuracy with respect to the number of stored memories and noise in the input key. We investigate AQO performance with respect to how memories are stored in the Ising model according to different learning rules. Our results demonstrate that AQO recall accuracy varies strongly with learning rule, a behavior that is attributed to differences in energy landscapes. Consequently, learning rules offer a family of methods for programming adiabatic quantum optimization that we expect to be useful for characterizing AQO performance.
Quantum adiabatic evolution with energy degeneracy levels
NASA Astrophysics Data System (ADS)
Zhang, Qi
2016-01-01
A classical-kind phase-space formalism is developed to address the tiny intrinsic dynamical deviation from what is predicted by Wilczek-Zee theorem during quantum adiabatic evolution on degeneracy levels. In this formalism, the Hilbert space and the aggregate of degenerate eigenstates become the classical-kind phase space and a high-dimensional subspace in the phase space, respectively. Compared with the previous analogous study by a different method, the current result is qualitatively different in that the first-order deviation derived here is always perpendicular to the degeneracy subspace. A tripod-scheme Hamiltonian with two degenerate dark states is employed to illustrate the adiabatic deviation with degeneracy levels.
Adiabatic quantum optimization for associative memory recall
Seddiqi, Hadayat; Humble, Travis S.
2014-12-22
Hopfield networks are a variant of associative memory that recall patterns stored in the couplings of an Ising model. Stored memories are conventionally accessed as fixed points in the network dynamics that correspond to energetic minima of the spin state. We show that memories stored in a Hopfield network may also be recalled by energy minimization using adiabatic quantum optimization (AQO). Numerical simulations of the underlying quantum dynamics allow us to quantify AQO recall accuracy with respect to the number of stored memories and noise in the input key. We investigate AQO performance with respect to how memories are storedmore » in the Ising model according to different learning rules. Our results demonstrate that AQO recall accuracy varies strongly with learning rule, a behavior that is attributed to differences in energy landscapes. Consequently, learning rules offer a family of methods for programming adiabatic quantum optimization that we expect to be useful for characterizing AQO performance.« less
Adiabatic quantum optimization for associative memory recall
Seddiqi, Hadayat; Humble, Travis S.
2014-12-22
Hopfield networks are a variant of associative memory that recall patterns stored in the couplings of an Ising model. Stored memories are conventionally accessed as fixed points in the network dynamics that correspond to energetic minima of the spin state. We show that memories stored in a Hopfield network may also be recalled by energy minimization using adiabatic quantum optimization (AQO). Numerical simulations of the underlying quantum dynamics allow us to quantify AQO recall accuracy with respect to the number of stored memories and noise in the input key. We investigate AQO performance with respect to how memories are stored in the Ising model according to different learning rules. Our results demonstrate that AQO recall accuracy varies strongly with learning rule, a behavior that is attributed to differences in energy landscapes. Consequently, learning rules offer a family of methods for programming adiabatic quantum optimization that we expect to be useful for characterizing AQO performance.
Adiabatic state preparation study of methylene
Veis, Libor Pittner, Jiří
2014-06-07
Quantum computers attract much attention as they promise to outperform their classical counterparts in solving certain type of problems. One of them with practical applications in quantum chemistry is simulation of complex quantum systems. An essential ingredient of efficient quantum simulation algorithms are initial guesses of the exact wave functions with high enough fidelity. As was proposed in Aspuru-Guzik et al. [Science 309, 1704 (2005)], the exact ground states can in principle be prepared by the adiabatic state preparation method. Here, we apply this approach to preparation of the lowest lying multireference singlet electronic state of methylene and numerically investigate preparation of this state at different molecular geometries. We then propose modifications that lead to speeding up the preparation process. Finally, we decompose the minimal adiabatic state preparation employing the direct mapping in terms of two-qubit interactions.
Zhou, S.; Solana, J. R.
2014-12-28
In this paper, it is shown that the numerical differentiation method in performing the coupling parameter series expansion [S. Zhou, J. Chem. Phys. 125, 144518 (2006); AIP Adv. 1, 040703 (2011)] excels at calculating the coefficients a{sub i} of hard sphere high temperature series expansion (HS-HTSE) of the free energy. Both canonical ensemble and isothermal-isobaric ensemble Monte Carlo simulations for fluid interacting through a hard sphere attractive Yukawa (HSAY) potential with extremely short ranges and at very low temperatures are performed, and the resulting two sets of data of thermodynamic properties are in excellent agreement with each other, and well qualified to be used for assessing convergence of the HS-HTSE for the HSAY fluid. Results of valuation are that (i) by referring to the results of a hard sphere square well fluid [S. Zhou, J. Chem. Phys. 139, 124111 (2013)], it is found that existence of partial sum limit of the high temperature series expansion series and consistency between the limit value and the true solution depend on both the potential shapes and temperatures considered. (ii) For the extremely short range HSAY potential, the HS-HTSE coefficients a{sub i} falls rapidly with the order i, and the HS-HTSE converges from fourth order; however, it does not converge exactly to the true solution at reduced temperatures lower than 0.5, wherein difference between the partial sum limit of the HS-HTSE series and the simulation result tends to become more evident. Something worth mentioning is that before the convergence order is reached, the preceding truncation is always improved by the succeeding one, and the fourth- and higher-order truncations give the most dependable and qualitatively always correct thermodynamic results for the HSAY fluid even at low reduced temperatures to 0.25.
Nonadiabatic transitions in finite-time adiabatic rapid passage
NASA Astrophysics Data System (ADS)
Lu, T.; Miao, X.; Metcalf, H.
2007-06-01
To apply the adiabatic rapid passage process repetitively [T. Lu, X. Miao, and H. Metcalf, Phys. Rev. A 71, 061405(R) (2005)], the nonadiabatic transition probability of a two-level atom subject to chirped light pulses over a finite period of time needs to be calculated. Using a unitary first-order perturbation method in the rotating adiabatic frame, an approximate formula has been derived for such transition probabilities in the entire parameter space of the pulses.
Improved generalized F-expansion method for the time fractional modified KdV(fmKdV) equation
NASA Astrophysics Data System (ADS)
Sonmezoglu, Abdullah
2016-06-01
In this article, an improved generalized F-expansion method is used for solving the time fractional modified KdV(fmKdV) equation. Using this approach new Jacobi elliptic function solutions are obtained. This method can be suitable for solving other nonlinear fractional differential equations.
Numerical divergence effects of equivalence theory in the nodal expansion method
Zika, M.R.; Downar, T.J. )
1993-11-01
Accurate solutions of the advanced nodal equations require the use of discontinuity factors (DFs) to account for the homogenization errors that are inherent in all coarse-mesh nodal methods. During the last several years, nodal equivalence theory (NET) has successfully been implemented for the Cartesian geometry and has received widespread acceptance in the light water reactor industry. The extension of NET to other reactor types has had limited success. Recent efforts to implement NET within the framework of the nodal expansion method have successfully been applied to the fast breeder reactor. However, attempts to apply the same methods to thermal reactors such as the Modular High-Temperature Gas Reactor (MHTGR) have led to numerical divergence problems that can be attributed directly to the magnitude of the DFs. In the work performed here, it was found that the numerical problems occur in the inner and upscatter iterations of the solution algorithm. These iterations use a Gauss-Seidel iterative technique that is always convergent for problems with unity DFs. However, for an MHTGR model that requires large DFs, both the inner and upscatter iterations were divergent. Initial investigations into methods for bounding the DFs have proven unsatisfactory as a means of remedying the convergence problems. Although the DFs could be bounded to yield a convergent solution, several cases were encountered where the resulting flux solution was less accurate than the solution without DFs. For the specific case of problems without upscattering, an alternate numerical method for the inner iteration, an LU decomposition, was identified and shown to be feasible.
An adiabatic approximation for grain alignment theory
NASA Astrophysics Data System (ADS)
Roberge, W. G.
1997-10-01
The alignment of interstellar dust grains is described by the joint distribution function for certain `internal' and `external' variables, where the former describe the orientation of the axes of a grain with respect to its angular momentum, J, and the latter describe the orientation of J relative to the interstellar magnetic field. I show how the large disparity between the dynamical time-scales of the internal and external variables - which is typically 2-3 orders of magnitude - can be exploited to simplify calculations of the required distribution greatly. The method is based on an `adiabatic approximation' which closely resembles the Born-Oppenheimer approximation in quantum mechanics. The adiabatic approximation prescribes an analytic distribution function for the `fast' dynamical variables and a simplified Fokker-Planck equation for the `slow' variables which can be solved straightforwardly using various techniques. These solutions are accurate to O(epsilon), where epsilon is the ratio of the fast and slow dynamical time-scales. As a simple illustration of the method, I derive an analytic solution for the joint distribution established when Barnett relaxation acts in concert with gas damping. The statistics of the analytic solution agree with the results of laborious numerical calculations which do not exploit the adiabatic approximation.
An Adiabatic Approximation for Grain Alignment Theory
NASA Astrophysics Data System (ADS)
Roberge, W. G.
1997-12-01
The alignment of interstellar dust grains is described by the joint distribution function for certain ``internal'' and ``external'' variables, where the former describe the orientation of a grain's axes with respect to its angular momentum, J, and the latter describe the orientation of J relative to the interstellar magnetic field. I show how the large disparity between the dynamical timescales of the internal and external variables--- which is typically 2--3 orders of magnitude--- can be exploited to greatly simplify calculations of the required distribution. The method is based on an ``adiabatic approximation'' which closely resembles the Born-Oppenheimer approximation in quantum mechanics. The adiabatic approximation prescribes an analytic distribution function for the ``fast'' dynamical variables and a simplified Fokker-Planck equation for the ``slow'' variables which can be solved straightforwardly using various techniques. These solutions are accurate to cal {O}(epsilon ), where epsilon is the ratio of the fast and slow dynamical timescales. As a simple illustration of the method, I derive an analytic solution for the joint distribution established when Barnett relaxation acts in concert with gas damping. The statistics of the analytic solution agree with the results of laborious numerical calculations which do not exploit the adiabatic approximation.
Systematic synthesis of CCCCTA-based T-T filters using NAM expansion method
NASA Astrophysics Data System (ADS)
Li, Yongan; Cao, Rui
2016-06-01
In the light of nullor-mirror models for current-controlled current conveyor trans-conductance amplifier (CCCCTA), initiating the admittance matrices of the Tow-Thomas (T-T) filter, three different types of the T-T filter are synthesised by means of the nodal admittance matrix (NAM) expansion method. The type A filter, which employ one CCCCTA, one grounded resistor and two grounded capacitors, has eight different forms, the type B filter, which employ one CCCCTA, two grounded capacitors and a second-generation current-controlled conveyor (CCCII) or an second-generation inverting current-controlled conveyor (ICCCII) or an operational trans-conductance amplifier (OTA), has 64 different forms and the type C filter employing one CCCCTA and two grounded capacitors has eight different forms. In all, 80 voltage-mode/current-mode T-T filter circuits are obtained. Because of using canonic number components, the circuits are highly desirable from the viewpoint of IC fabrication and their parameters can be electronically tuned through tuning bias currents of CCCCTAs. The hand analysis and computer simulation results have been provided to support the synthesis method.
Zhao, Xiaolei; Zuo, Xiaoyu; Qin, Jiheng; Liang, Yan; Zhang, Naizun; Luan, Yizhao; Rao, Shaoqi
2014-04-01
Biological pathways have been widely used in gene function studies; however, the current knowledge for biological pathways is per se incomplete and has to be further expanded. Bioinformatics prediction provides us a cheap but effective way for pathway expansion. Here, we proposed a novel method for biological pathway prediction, by intergrating prior knowledge of protein?protein interactions and Gene Ontology (GO) database. First, the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathways to which the interacting neighbors of a targe gene (at the level of protein?protein interaction) belong were chosen as the candidate pathways. Then, the pathways to which the target gene belong were determined by testing whether the genes in the candidate pathways were enriched in the GO terms to which the target gene were annotated. The protein?protein interaction data obtained from the Human Protein Reference Database (HPRD) and Biological General Repository for Interaction Datasets (BioGRID) were respectively used to predict the pathway attribution(s) of the target gene. The results demanstrated that both the average accuracy (the ratio of the correctly predicted pathways to the totally pathways to which all the target genes were annotated) and the relative accuracy (of the genes with at least one annotated pathway being successful predicted, the percentage of the genes with all the annotated pathways being correctly predicted) for pathway predictions were increased with the number of the interacting neighbours. When the number of interacting neighbours reached 22, the average accuracy was 96.2% (HPRD) and 96.3% (BioGRID), respectively, and the relative accuracy was 93.3% (HPRD) and 84.1% (BioGRID), respectively. Further validation analysis of 89 genes whose pathway knowledge was updated in a new database release indicated that 50 genes were correctly predicted for at least one updated pathway, and 43 genes were accurately predicted for all the updated pathways, giving an
Linear 3 and 5-step methods using Taylor series expansion for solving special 3rd order ODEs
NASA Astrophysics Data System (ADS)
Rajabi, Marzieh; Ismail, Fudziah; Senu, Norazak
2016-06-01
Some new linear 3 and 5-step methods for solving special third order ordinary differential equations directly are constructed using Taylor's series expansion. A set of test problems are solved using the new method and the results are compared when the problem is reduced to a system of first order ordinary differential equations and then using the existing Runge-Kutta method. The numerical results have clearly shown the advantage and competency of the new methods.
Acceleration of adiabatic quantum dynamics in electromagnetic fields
Masuda, Shumpei; Nakamura, Katsuhiro
2011-10-15
We show a method to accelerate quantum adiabatic dynamics of wave functions under electromagnetic field (EMF) by developing the preceding theory [Masuda and Nakamura, Proc. R. Soc. London Ser. A 466, 1135 (2010)]. Treating the orbital dynamics of a charged particle in EMF, we derive the driving field which accelerates quantum adiabatic dynamics in order to obtain the final adiabatic states in any desired short time. The scheme is consolidated by describing a way to overcome possible singularities in both the additional phase and driving potential due to nodes proper to wave functions under EMF. As explicit examples, we exhibit the fast forward of adiabatic squeezing and transport of excited Landau states with nonzero angular momentum, obtaining the result consistent with the transitionless quantum driving applied to the orbital dynamics in EMF.
Salvador Planas, C
1992-01-01
In this work, the method of orthodontic goniometry is used, which is a simple technique and not expensive, that allows us to determine the apical expansion in the studied models. 42 patients are studied by means of the techniques of Neuro-Occlusal Rehabilitation. We reach by this method expansion to the level of the apex as far as 12 mm in the lower arch and 11 mm in the upper arch. A simple statistic analysis is made which shows an average of expansions of 7.76 mm at crown level of the upper arch and 8.11 mm at apex level; at the crown level of lower arch we get 6.43 mm and apex level 5.8 mm. We think these results are interesting and they should make us study in depth the Neuro-Occlusal Rehabilitation and its principles. PMID:1341737
Eigenmode expansion methods for simulation of optical propagation in photonics: pros and cons
NASA Astrophysics Data System (ADS)
Gallagher, Dominic F. G.; Felici, Thomas P.
2003-06-01
With the rapid growth of the telecommunications industry over the last 5 to 10 years has come the need to solve ever more complex electromagnetic problems and to solve them more precisely than ever before. The basic EME (EigenMode Expansion) technique is a powerful method for calculation of electromagnetic propagation which has been well known amongst academic environments and also in microwave fields, representing the electromagnetic fields everywhere in terms of a basis set of local modes. It is at the same time a rigorous solution of Maxwell's Equations and is able to deal with very long structures. We discuss here progress that the authors and others have made recently in applying and extending it to integrated, fibre, and diffractive optics - including development of efficient ways of modelling tapers and other smoothly varying structures, new more efficient boundary conditions and improved mode finders. We outline the advantages it has over other techniques and also its limitations. We illustrate its application with a variety of real life examples, including diffractive elements, directional couplers, tapers, MMI's, bend modelling, periodic structures and others.
Atomic self-consistent-field program by the basis set expansion method: Columbus version
NASA Astrophysics Data System (ADS)
Pitzer, Russell M.
2005-08-01
A revised and extended (Columbus) version of the Chicago atomic self-consistent-field (Hartree-Fock) program of 1963 is described. Its principal present use is in developing Gaussian basis sets for molecular calculations. Complete memory allocation (using Fortran 90) has been added as well as improved integral formulas and efficient and simple programming features. Energy-expression coefficients have been added sufficient to treat the ground states of all atoms to the extent that Russell-Saunders (LS) coupling applies. Excited states with large angular-momentum orbitals can be treated. Relativistic effects can be included to the extent possible with relativistic effective core potentials. A review of earlier work is included. Program summaryProgram title: atmscf Catalogue identifier: ADVR Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVR Program available from: CPC Program Library, Queen's University of Belfast, N. Ireland Programming language: Fortran 90 Computer: Sun, SGI, PC Operating system: Solaris, Irix, Linux RAM: 10 Mbytes No. of lines in distributed program, including test data, etc.: 2113 No. of bytes in distributed program, including test data, etc.: 15 379 Distribution format: tar.gz Nature of problem: Energies and wave functions, at the Hartree-Fock level Solution method: Expansions in Gaussian or Slater functions. Iterative minimization of the total energy. Optimization of exponential parameters. Used frequently for developing Gaussian basis sets for molecular use Running time: Typical 30 s per calculation
Adiabatic evolution of plasma equilibrium
Grad, H.; Hu, P. N.; Stevens, D. C.
1975-01-01
A new theory of plasma equilibrium is introduced in which adiabatic constraints are specified. This leads to a mathematically nonstandard structure, as compared to the usual equilibrium theory, in which prescription of pressure and current profiles leads to an elliptic partial differential equation. Topologically complex configurations require further generalization of the concept of adiabaticity to allow irreversible mixing of plasma and magnetic flux among islands. Matching conditions across a boundary layer at the separatrix are obtained from appropriate conservation laws. Applications are made to configurations with planned islands (as in Doublet) and accidental islands (as in Tokamaks). Two-dimensional, axially symmetric, helically symmetric, and closed line equilibria are included. PMID:16578729
Favorite, J.A.
1999-09-01
In previous work, exponential convergence of Monte Carlo solutions using the reduced source method with Legendre expansion has been achieved only in one-dimensional rod and slab geometries. In this paper, the method is applied to three-dimensional (right parallelepiped) problems, with resulting evidence suggesting success. As implemented in this paper, the method approximates an angular integral of the flux with a discrete-ordinates numerical quadrature. It is possible that this approximation introduces an inconsistency that must be addressed.
NASA Astrophysics Data System (ADS)
Pandir, Yusuf; Duzgun, Hasan Huseyin
2016-06-01
In this study, we investigate some new analytical solutions to the fractional Sine-Gordon equation by using the new version of generalized F-expansion method. The fractional derivatives are defined in the modified Riemann-Liouville context. As a result, new analytical solutions were obtained in terms Jacobi elliptic functions.
From Free Expansion to Abrupt Compression of an Ideal Gas
ERIC Educational Resources Information Center
Anacleto, Joaquim; Pereira, Mario G.
2009-01-01
Using macroscopic thermodynamics, the general law for adiabatic processes carried out by an ideal gas was studied. It was shown that the process reversibility is characterized by the adiabatic reversibility coefficient r, in the range 0 [less than or equal] r [less than or equal] 1 for expansions and r [greater than or equal] 1 for compressions.…
Pressure Oscillations in Adiabatic Compression
ERIC Educational Resources Information Center
Stout, Roland
2011-01-01
After finding Moloney and McGarvey's modified adiabatic compression apparatus, I decided to insert this experiment into my physical chemistry laboratory at the last minute, replacing a problematic experiment. With insufficient time to build the apparatus, we placed a bottle between two thick textbooks and compressed it with a third textbook forced…
Adiabatic dynamics of magnetic vortices
NASA Astrophysics Data System (ADS)
Papanicolaou, N.
1994-03-01
We formulate a reasonably detailed adiabatic conjecture concerning the dynamics of skew deflection of magnetic vortices in a field gradient, which is expected to be valid at sufficiently large values of the winding number. The conjecture is consistent with the golden rule used to describe the dynamics of realistic magnetic bubbles and is verified here numerically within the 2-D isotropic Heisenberg model.
Apparatus and method for measuring the expansion properties of a cement composition
Spangle, Lloyd B.
1983-01-01
An apparatus is disclosed which is useful for measuring the expansion properties of semi-solid materials which expand to a solid phase, upon curing, such as cement compositions. The apparatus includes a sleeve, preferably cylindrical, which has a vertical slit on one side, to allow the sleeve to expand. Mounted on the outside of the sleeve are several sets of pins, consisting of two pins each. The two pins in each set are located on opposite sides of the slit. In the test procedure, the sleeve is filled with wet cement, which is then cured to a solid. As the cement cures it causes the sleeve to expand. The actual expansion of the sleeve represents an expansion factor for the cement. This factor is calculated by measuring the distance across the pins of each set, when the sleeve is empty, and again after the cured cement expands the sleeve.
Transitionless driving on adiabatic search algorithm
Oh, Sangchul; Kais, Sabre
2014-12-14
We study quantum dynamics of the adiabatic search algorithm with the equivalent two-level system. Its adiabatic and non-adiabatic evolution is studied and visualized as trajectories of Bloch vectors on a Bloch sphere. We find the change in the non-adiabatic transition probability from exponential decay for the short running time to inverse-square decay in asymptotic running time. The scaling of the critical running time is expressed in terms of the Lambert W function. We derive the transitionless driving Hamiltonian for the adiabatic search algorithm, which makes a quantum state follow the adiabatic path. We demonstrate that a uniform transitionless driving Hamiltonian, approximate to the exact time-dependent driving Hamiltonian, can alter the non-adiabatic transition probability from the inverse square decay to the inverse fourth power decay with the running time. This may open up a new but simple way of speeding up adiabatic quantum dynamics.
Transitionless driving on adiabatic search algorithm
NASA Astrophysics Data System (ADS)
Oh, Sangchul; Kais, Sabre
2014-12-01
We study quantum dynamics of the adiabatic search algorithm with the equivalent two-level system. Its adiabatic and non-adiabatic evolution is studied and visualized as trajectories of Bloch vectors on a Bloch sphere. We find the change in the non-adiabatic transition probability from exponential decay for the short running time to inverse-square decay in asymptotic running time. The scaling of the critical running time is expressed in terms of the Lambert W function. We derive the transitionless driving Hamiltonian for the adiabatic search algorithm, which makes a quantum state follow the adiabatic path. We demonstrate that a uniform transitionless driving Hamiltonian, approximate to the exact time-dependent driving Hamiltonian, can alter the non-adiabatic transition probability from the inverse square decay to the inverse fourth power decay with the running time. This may open up a new but simple way of speeding up adiabatic quantum dynamics.
Transitionless driving on adiabatic search algorithm.
Oh, Sangchul; Kais, Sabre
2014-12-14
We study quantum dynamics of the adiabatic search algorithm with the equivalent two-level system. Its adiabatic and non-adiabatic evolution is studied and visualized as trajectories of Bloch vectors on a Bloch sphere. We find the change in the non-adiabatic transition probability from exponential decay for the short running time to inverse-square decay in asymptotic running time. The scaling of the critical running time is expressed in terms of the Lambert W function. We derive the transitionless driving Hamiltonian for the adiabatic search algorithm, which makes a quantum state follow the adiabatic path. We demonstrate that a uniform transitionless driving Hamiltonian, approximate to the exact time-dependent driving Hamiltonian, can alter the non-adiabatic transition probability from the inverse square decay to the inverse fourth power decay with the running time. This may open up a new but simple way of speeding up adiabatic quantum dynamics. PMID:25494733
Failure of geometric electromagnetism in the adiabatic vector Kepler problem
Anglin, J.R.; Schmiedmayer, J.
2004-02-01
The magnetic moment of a particle orbiting a straight current-carrying wire may precess rapidly enough in the wire's magnetic field to justify an adiabatic approximation, eliminating the rapid time dependence of the magnetic moment and leaving only the particle position as a slow degree of freedom. To zeroth order in the adiabatic expansion, the orbits of the particle in the plane perpendicular to the wire are Keplerian ellipses. Higher-order postadiabatic corrections make the orbits precess, but recent analysis of this 'vector Kepler problem' has shown that the effective Hamiltonian incorporating a postadiabatic scalar potential ('geometric electromagnetism') fails to predict the precession correctly, while a heuristic alternative succeeds. In this paper we resolve the apparent failure of the postadiabatic approximation, by pointing out that the correct second-order analysis produces a third Hamiltonian, in which geometric electromagnetism is supplemented by a tensor potential. The heuristic Hamiltonian of Schmiedmayer and Scrinzi is then shown to be a canonical transformation of the correct adiabatic Hamiltonian, to second order. The transformation has the important advantage of removing a 1/r{sup 3} singularity which is an artifact of the adiabatic approximation.
Nishimura, Shin
2015-12-15
The spherical coordinates expressions of the Rosenbluth potentials are applied to the field particle portion in the linearized Coulomb collision operator. The Sonine (generalized Laguerre) polynomial expansion formulas for this operator allowing general field particles' velocity distributions are derived. An important application area of these formulas is the study of flows of thermalized particles in NBI-heated or burning plasmas since the energy space structure of the fast ions' slowing down velocity distribution cannot be expressed by usual orthogonal polynomial expansions, and since the Galilean invariant property and the momentum conservation of the collision must be distinguished there.
NASA Astrophysics Data System (ADS)
Nishimura, Shin
2015-12-01
The spherical coordinates expressions of the Rosenbluth potentials are applied to the field particle portion in the linearized Coulomb collision operator. The Sonine (generalized Laguerre) polynomial expansion formulas for this operator allowing general field particles' velocity distributions are derived. An important application area of these formulas is the study of flows of thermalized particles in NBI-heated or burning plasmas since the energy space structure of the fast ions' slowing down velocity distribution cannot be expressed by usual orthogonal polynomial expansions, and since the Galilean invariant property and the momentum conservation of the collision must be distinguished there.
NASA Technical Reports Server (NTRS)
Constantinescu, G.S.; Lele, S. K.
2000-01-01
using these schemes is especially sensitive to the type of equation treatment at the singularity axis. The objective of this work is to develop a generally applicable numerical method for treating the singularities present at the polar axis, which is particularly suitable for highly accurate finite-differences schemes (e.g., Pade schemes) on non-staggered grids. The main idea is to reinterpret the regularity conditions developed in the context of pseudo-spectral methods. A set of exact equations at the singularity axis is derived using the appropriate series expansions for the variables in the original set of equations. The present treatment of the equations preserves the same level of accuracy as for the interior scheme. We also want to point out the wider utility of the method, proposed here in the context of compressible flow equations, as its extension for incompressible flows or for any other set of equations that are solved on a non-staggered mesh in cylindrical coordinates with finite-differences schemes of various level of accuracy is straightforward. The robustness and accuracy of the proposed technique is assessed by comparing results from simulations of laminar forced-jets and turbulent compressible jets using LES with similar calculations in which the equations are solved in Cartesian coordinates at the polar axis, or in which the singularity is removed by employing a staggered mesh in the radial direction without a mesh point at r = 0.
Studies in Chaotic adiabatic dynamics
Jarzynski, C.
1994-01-01
Chaotic adiabatic dynamics refers to the study of systems exhibiting chaotic evolution under slowly time-dependent equations of motion. In this dissertation the author restricts his attention to Hamiltonian chaotic adiabatic systems. The results presented are organized around a central theme, namely, that the energies of such systems evolve diffusively. He begins with a general analysis, in which he motivates and derives a Fokker-Planck equation governing this process of energy diffusion. He applies this equation to study the {open_quotes}goodness{close_quotes} of an adiabatic invariant associated with chaotic motion. This formalism is then applied to two specific examples. The first is that of a gas of noninteracting point particles inside a hard container that deforms slowly with time. Both the two- and three-dimensional cases are considered. The results are discussed in the context of the Wall Formula for one-body dissipation in nuclear physics, and it is shown that such a gas approaches, asymptotically with time, an exponential velocity distribution. The second example involves the Fermi mechanism for the acceleration of cosmic rays. Explicit evolution equations are obtained for the distribution of cosmic ray energies within this model, and the steady-state energy distribution that arises when this equation is modified to account for the injection and removal of cosmic rays is discussed. Finally, the author re-examines the multiple-time-scale approach as applied to the study of phase space evolution under a chaotic adiabatic Hamiltonian. This leads to a more rigorous derivation of the above-mentioned Fokker-Planck equation, and also to a new term which has relevance to the problem of chaotic adiabatic reaction forces (the forces acting on slow, heavy degrees of freedom due to their coupling to light, fast chaotic degrees).
NASA Astrophysics Data System (ADS)
Aslan, İsmail
2010-10-01
In this paper, a discrete extension of the (G'/G)-expansion method is applied to a relativistic Toda lattice system and a discrete nonlinear Schrödinger equation in order to obtain discrete traveling wave solutions. Closed form solutions with more arbitrary parameters, which reduce to solitary and periodic waves, are exhibited. New rational solutions are also obtained. The method is straightforward and concise, and its applications in physical sciences are promising.
Non-adiabatic molecular dynamics with complex quantum trajectories. II. The adiabatic representation
NASA Astrophysics Data System (ADS)
Zamstein, Noa; Tannor, David J.
2012-12-01
We present a complex quantum trajectory method for treating non-adiabatic dynamics. Each trajectory evolves classically on a single electronic surface but with complex position and momentum. The equations of motion are derived directly from the time-dependent Schrödinger equation, and the population exchange arises naturally from amplitude-transfer terms. In this paper the equations of motion are derived in the adiabatic representation to complement our work in the diabatic representation [N. Zamstein and D. J. Tannor, J. Chem. Phys. 137, 22A517 (2012)], 10.1063/1.4739845. We apply our method to two benchmark models introduced by John Tully [J. Chem. Phys. 93, 1061 (1990)], 10.1063/1.459170, and get very good agreement with converged quantum-mechanical calculations. Specifically, we show that decoherence (spatial separation of wavepackets on different surfaces) is already contained in the equations of motion and does not require ad hoc augmentation.
Non-adiabatic molecular dynamics with complex quantum trajectories. II. The adiabatic representation
Zamstein, Noa; Tannor, David J.
2012-12-14
We present a complex quantum trajectory method for treating non-adiabatic dynamics. Each trajectory evolves classically on a single electronic surface but with complex position and momentum. The equations of motion are derived directly from the time-dependent Schroedinger equation, and the population exchange arises naturally from amplitude-transfer terms. In this paper the equations of motion are derived in the adiabatic representation to complement our work in the diabatic representation [N. Zamstein and D. J. Tannor, J. Chem. Phys. 137, 22A517 (2012)]. We apply our method to two benchmark models introduced by John Tully [J. Chem. Phys. 93, 1061 (1990)], and get very good agreement with converged quantum-mechanical calculations. Specifically, we show that decoherence (spatial separation of wavepackets on different surfaces) is already contained in the equations of motion and does not require ad hoc augmentation.
Shortcut to Adiabatic Passage in Two- and Three-Level Atoms
Chen Xi; Lizuain, I.; Muga, J. G.; Ruschhaupt, A.; Guery-Odelin, D.
2010-09-17
We propose a method to speed up adiabatic passage techniques in two-level and three-level atoms extending to the short-time domain their robustness with respect to parameter variations. It supplements or substitutes the standard laser beam setups with auxiliary pulses that steer the system along the adiabatic path. Compared to other strategies, such as composite pulses or the original adiabatic techniques, it provides a fast and robust approach to population control.
Non-equilibrium scale invariance and shortcuts to adiabaticity in a one-dimensional Bose gas
Rohringer, W.; Fischer, D.; Steiner, F.; Mazets, I. E.; Schmiedmayer, J.; Trupke, M.
2015-01-01
We present experimental evidence for scale invariant behaviour of the excitation spectrum in phase-fluctuating quasi-1d Bose gases after a rapid change of the external trapping potential. Probing density correlations in free expansion, we find that the temperature of an initial thermal state scales with the spatial extension of the cloud as predicted by a model based on adiabatic rescaling of initial eigenmodes with conserved quasiparticle occupation numbers. Based on this result, we demonstrate that shortcuts to adiabaticity for the rapid expansion or compression of the gas do not induce additional heating. PMID:25867640
Non-equilibrium scale invariance and shortcuts to adiabaticity in a one-dimensional Bose gas.
Rohringer, W; Fischer, D; Steiner, F; Mazets, I E; Schmiedmayer, J; Trupke, M
2015-01-01
We present experimental evidence for scale invariant behaviour of the excitation spectrum in phase-fluctuating quasi-1d Bose gases after a rapid change of the external trapping potential. Probing density correlations in free expansion, we find that the temperature of an initial thermal state scales with the spatial extension of the cloud as predicted by a model based on adiabatic rescaling of initial eigenmodes with conserved quasiparticle occupation numbers. Based on this result, we demonstrate that shortcuts to adiabaticity for the rapid expansion or compression of the gas do not induce additional heating. PMID:25867640
An adiabatic demagnetization refrigerator for infrared bolometers
NASA Technical Reports Server (NTRS)
Britt, R. D.; Richards, P. L.
1981-01-01
Adiabatic demagnetization refrigerators have been built and installed in small portable liquid helium cryostats to test the feasibility of this method of cooling infrared bolometric detectors to temperatures below 0.3 K. Performance has been achieved which suggests that bolometer temperatures of 0.2 K can be maintained for periods of approximately 60 hours. Applications to sensitive infrared detection from ground-based telescopes and space satellites are discussed. Design data are given which permit the evaluation of refrigerator performance for a variety of design parameters.
F-expansion method and new exact solutions of the Schrödinger-KdV equation.
Filiz, Ali; Ekici, Mehmet; Sonmezoglu, Abdullah
2014-01-01
F-expansion method is proposed to seek exact solutions of nonlinear evolution equations. With the aid of symbolic computation, we choose the Schrödinger-KdV equation with a source to illustrate the validity and advantages of the proposed method. A number of Jacobi-elliptic function solutions are obtained including the Weierstrass-elliptic function solutions. When the modulus m of Jacobi-elliptic function approaches to 1 and 0, soliton-like solutions and trigonometric-function solutions are also obtained, respectively. The proposed method is a straightforward, short, promising, and powerful method for the nonlinear evolution equations in mathematical physics. PMID:24672327
F-Expansion Method and New Exact Solutions of the Schrödinger-KdV Equation
Filiz, Ali; Ekici, Mehmet; Sonmezoglu, Abdullah
2014-01-01
F-expansion method is proposed to seek exact solutions of nonlinear evolution equations. With the aid of symbolic computation, we choose the Schrödinger-KdV equation with a source to illustrate the validity and advantages of the proposed method. A number of Jacobi-elliptic function solutions are obtained including the Weierstrass-elliptic function solutions. When the modulus m of Jacobi-elliptic function approaches to 1 and 0, soliton-like solutions and trigonometric-function solutions are also obtained, respectively. The proposed method is a straightforward, short, promising, and powerful method for the nonlinear evolution equations in mathematical physics. PMID:24672327
Islam, Md. Shafiqul; Khan, Kamruzzaman; Akbar, M. Ali; Mastroberardino, Antonio
2014-01-01
The purpose of this article is to present an analytical method, namely the improved F-expansion method combined with the Riccati equation, for finding exact solutions of nonlinear evolution equations. The present method is capable of calculating all branches of solutions simultaneously, even if multiple solutions are very close and thus difficult to distinguish with numerical techniques. To verify the computational efficiency, we consider the modified Benjamin–Bona–Mahony equation and the modified Korteweg-de Vries equation. Our results reveal that the method is a very effective and straightforward way of formulating the exact travelling wave solutions of nonlinear wave equations arising in mathematical physics and engineering. PMID:26064530
Lukić, Sergio; Hey, Jody
2012-01-01
We present an implementation of a recently introduced method for estimating the allele-frequency spectrum under the diffusion approximation. For single-nucleotide polymorphism (SNP) frequency data from multiple populations, the method computes numerical solutions to the allele-frequency spectrum (AFS) under a complex model that includes population splitting events, migration, population expansion, and admixture. The solution to the diffusion partial differential equation (PDE) that mimics the evolutionary process is found by means of truncated polynomial expansions. In the absence of gene flow, our computation of frequency spectra yields exact results. The results are compared to those that use a finite-difference method and to forward diffusion simulations. In general, all the methods yield comparable results, although the polynomial-based approach is the most accurate in the weak-migration limit. Also, the economical use of memory attained by the polynomial expansions makes the study of models with four populations possible for the first time. The method was applied to a four-population model of the human expansion out of Africa and the peopling of the Americas, using the Environmental Genome Project (EGP) SNP database. Although our confidence intervals largely overlapped previous analyses of these data, some were significantly different. In particular, estimates of migration among African, European, and Asian populations were considerably lower than those in a previous study and the estimated time of migration out of Africa was earlier. The estimated time of founding of a human population outside of Africa was 52,000 years (95% confidence interval: 36,000–80,800 years). PMID:22865734
Microscopic expression for heat in the adiabatic basis.
Polkovnikov, Anatoli
2008-11-28
We derive a microscopic expression for the instantaneous diagonal elements of the density matrix rho(nn)(t) in the adiabatic basis for an arbitrary time-dependent process in a closed Hamiltonian system. If the initial density matrix is stationary (diagonal) then this expression contains only squares of absolute values of matrix elements of the evolution operator, which can be interpreted as transition probabilities. We then derive the microscopic expression for the heat defined as the energy generated due to transitions between instantaneous energy levels. If the initial density matrix is passive [diagonal with rho(nn)(0) monotonically decreasing with energy] then the heat is non-negative in agreement with basic expectations of thermodynamics. Our findings also can be used for systematic expansion of various observables around the adiabatic limit. PMID:19113464
Pessi, Jenni; Lassila, Ilkka; Meriläinen, Antti; Räikkönen, Heikki; Hæggström, Edward; Yliruusi, Jouko
2016-08-01
We introduce a robust, stable, and reproducible method to produce nanoparticles based on expansion of supercritical solutions using carbon dioxide as a solvent. The method, controlled expansion of supercritical solution (CESS), uses controlled mass transfer, flow, pressure reduction, and particle collection in dry ice. CESS offers control over the crystallization process as the pressure in the system is reduced according to a specific profile. Particle formation takes place before the exit nozzle, and condensation is the main mechanism for postnucleation particle growth. A 2-step gradient pressure reduction is used to prevent Mach disk formation and particle growth by coagulation. Controlled particle growth keeps the production process stable. With CESS, we produced piroxicam nanoparticles, 60 mg/h, featuring narrow size distribution (176 ± 53 nm). PMID:27368121
NASA Technical Reports Server (NTRS)
Savin, Raymond C
1955-01-01
The generalized shock-expansion method is applied to obtain solutions to the flow field about pointed bodies of revolution at high supersonic airspeeds and small angles of attack. Simple explicit expressions are obtained for the surface Mach numbers and surface pressures in the special case of slender bodies. In the case of inclined cones, algebraic solutions are obtained defining the entire flow field. Experimental pressure-distribution data for cones and ogives at Mach numbers from 3 to 5 are included. (author)
Adiabaticity in open quantum systems
NASA Astrophysics Data System (ADS)
Venuti, Lorenzo Campos; Albash, Tameem; Lidar, Daniel A.; Zanardi, Paolo
2016-03-01
We provide a rigorous generalization of the quantum adiabatic theorem for open systems described by a Markovian master equation with time-dependent Liouvillian L (t ) . We focus on the finite system case relevant for adiabatic quantum computing and quantum annealing. Adiabaticity is defined in terms of closeness to the instantaneous steady state. While the general result is conceptually similar to the closed-system case, there are important differences. Namely, a system initialized in the zero-eigenvalue eigenspace of L (t ) will remain in this eigenspace with a deviation that is inversely proportional to the total evolution time T . In the case of a finite number of level crossings, the scaling becomes T-η with an exponent η that we relate to the rate of the gap closing. For master equations that describe relaxation to thermal equilibrium, we show that the evolution time T should be long compared to the corresponding minimum inverse gap squared of L (t ) . Our results are illustrated with several examples.
Rising, M. E.; Prinja, A. K.
2012-07-01
A critical neutron transport problem with random material properties is introduced. The total cross section and the average neutron multiplicity are assumed to be uncertain, characterized by the mean and variance with a log-normal distribution. The average neutron multiplicity and the total cross section are assumed to be uncorrected and the material properties for differing materials are also assumed to be uncorrected. The principal component analysis method is used to decompose the covariance matrix into eigenvalues and eigenvectors and then 'realizations' of the material properties can be computed. A simple Monte Carlo brute force sampling of the decomposed covariance matrix is employed to obtain a benchmark result for each test problem. In order to save computational time and to characterize the moments and probability density function of the multiplication factor the polynomial chaos expansion method is employed along with the stochastic collocation method. A Gauss-Hermite quadrature set is convolved into a multidimensional tensor product quadrature set and is successfully used to compute the polynomial chaos expansion coefficients of the multiplication factor. Finally, for a particular critical fuel pin assembly the appropriate number of random variables and polynomial expansion order are investigated. (authors)
Adiabatic Quantum Programming: Minor Embedding With Hard Faults
Klymko, Christine F; Sullivan, Blair D; Humble, Travis S
2013-01-01
Adiabatic quantum programming defines the time-dependent mapping of a quantum algorithm into the hardware or logical fabric. An essential programming step is the embedding of problem-specific information into the logical fabric to define the quantum computational transformation. We present algorithms for embedding arbitrary instances of the adiabatic quantum optimization algorithm into a square lattice of specialized unit cells. Our methods are shown to be extensible in fabric growth, linear in time, and quadratic in logical footprint. In addition, we provide methods for accommodating hard faults in the logical fabric without invoking approximations to the original problem. These hard fault-tolerant embedding algorithms are expected to prove useful for benchmarking the adiabatic quantum optimization algorithm on existing quantum logical hardware. We illustrate this versatility through numerical studies of embeddabilty versus hard fault rates in square lattices of complete bipartite unit cells.
Adiabatic quantum programming: minor embedding with hard faults
NASA Astrophysics Data System (ADS)
Klymko, Christine; Sullivan, Blair D.; Humble, Travis S.
2013-11-01
Adiabatic quantum programming defines the time-dependent mapping of a quantum algorithm into an underlying hardware or logical fabric. An essential step is embedding problem-specific information into the quantum logical fabric. We present algorithms for embedding arbitrary instances of the adiabatic quantum optimization algorithm into a square lattice of specialized unit cells. These methods extend with fabric growth while scaling linearly in time and quadratically in footprint. We also provide methods for handling hard faults in the logical fabric without invoking approximations to the original problem and illustrate their versatility through numerical studies of embeddability versus fault rates in square lattices of complete bipartite unit cells. The studies show that these algorithms are more resilient to faulty fabrics than naive embedding approaches, a feature which should prove useful in benchmarking the adiabatic quantum optimization algorithm on existing faulty hardware.
NASA Astrophysics Data System (ADS)
Li, Dafa
2016-05-01
The adiabatic theorem was proposed about 90 years ago and has played an important role in quantum physics. The quantitative adiabatic condition constructed from eigenstates and eigenvalues of a Hamiltonian is a traditional tool to estimate adiabaticity and has proven to be the necessary and sufficient condition for adiabaticity. However, recently the condition has become a controversial subject. In this paper, we list some expressions to estimate the validity of the adiabatic approximation. We show that the quantitative adiabatic condition is invalid for the adiabatic approximation via the Euclidean distance between the adiabatic state and the evolution state. Furthermore, we deduce general necessary and sufficient conditions for the validity of the adiabatic approximation by different definitions.
Adiabatic transport, Kubo formula and Anderson localization in some lattice and continuum models
NASA Astrophysics Data System (ADS)
Elgart, A.
2006-03-01
The different explanations of the Quantum Hall Effect rely on the validity of the linear response theory for a system that has infinite extent. We will present recent results on the adiabatic charge transport in this context for two dimensional lattice (joint work with M. Aizenman and J. Schenker) and continuum (joint work with B. Schlein) models of a non-interacting electron gas. It is proved that if the Fermi energy falls in the localization regime then the Hall transport is correctly described by the linear response Kubo formula. The localization condition is set forth by the fractional moment method, which is by now extended also to continuum models (joint work with M. Aizenman, S. Naboko, J. Schenker and G. Stoltz). In the present talk, besides localization criteria, we will discuss some ideas -- Nenciu's asymptotic expansion, generalized space-momentum inequalities, and finite speed of propagation estimates -- which enter the proof.
Heim, Joseph R.
1993-01-01
The invention provides a high magnetic field coil. The invention provides a preloaded compressive force to the coil maintain the integrity of the coil. The compressive force is obtained by reinforcing the coil with two materials of different thermal expansion rates and then heating the coil to 700.degree. C. to obtain the desired compression. The embodiment of the invention uses Nb.sub.3 Sn as the conducting wire, since Nb.sub.3 Sn must be heated to 700.degree. C. to cause a reaction which makes Nb.sub.3 Sn superconducting.
Series Expansion Method for Asymmetrical Percolation Models with Two Connection Probabilities
NASA Astrophysics Data System (ADS)
Inui, Norio; Komatsu, Genichi; Kameoka, Koichi
2000-01-01
In order to study the solvability of the percolation model based on Guttmann and Enting's conjecture, the power series for the percolation probability in the form of ∑nHn(q)pn is examined. Although the power series is given by calculating inverse of the transfer-matrix in principle, it is very hard to obtain the inverse matrix containing many complex polynomials as elements. We introduce a new series expansion technique which does not necessitate inverse operation for the transfer-matrix.By using the new procedure, we derive the series of the asymmetrical percolation probability including the isotropic percolation probability as a special case.
Heim, J.R.
1993-02-23
The invention provides a high magnetic field coil. The invention provides a preloaded compressive force to the coil maintain the integrity of the coil. The compressive force is obtained by reinforcing the coil with two materials of different thermal expansion rates and then heating the coil to 700 C to obtain the desired compression. The embodiment of the invention uses Nb[sub 3]Sn as the conducting wire, since Nb[sub 3]Sn must be heated to 700 C to cause a reaction which makes Nb[sub 3]Sn superconducting.
Unified cluster expansion method applied to the configurational thermodynamics of cubic Ti1-xAlxN
NASA Astrophysics Data System (ADS)
Alling, Björn; Ruban, Andrei; Karimi, Ayat; Hultman, Lars; Abrikosov, Igor
2012-02-01
We study the thermodynamics of cubic Ti1-xAlxN using a unified cluster expansion approach for the alloy problem [1]. The purely configurational part of the alloy Hamiltonian is expanded in terms of concentration and volume-dependent effective cluster interactions. By separate expansions of the chemical fixed lattice, and local lattice relaxation terms of the ordering energies, we demonstrate how the screened generalized perturbation method can be fruitfully combined with a concentration-dependent Connolly-Williams cluster expansion method, getting the best out of both two schemes that are traditionally used separately. Utilizing the obtained Hamiltonian in Monte Carlo simulations we access the free energy of Ti1-xAlxN alloys and construct the isostructural phase diagram. The results show striking similarities with the previously obtained mean-field results: The metastable c-TiAlN is subject to coherent spinodal decomposition over a large part of the concentration range, e.g., from x 0.33 at 2000 K. [4pt] [1] B. Alling, A. V. Ruban, A. Karimi, L. Hultman, and I. A. Abrikosov, PHYSICAL REVIEW B 83, 104203 (2011)
NASA Astrophysics Data System (ADS)
Mohamed, Firdawati binti; Karim, Mohamad Faisal bin Abd
2015-10-01
Modelling physical problems in mathematical form yields the governing equations that may be linear or nonlinear for known and unknown boundaries. The exact solution for those equations may or may not be obtained easily. Hence we seek an analytical approximation solution in terms of asymptotic expansion. In this study, we focus on a singular perturbation in second order ordinary differential equations. Solutions to several perturbed ordinary differential equations are obtained in terms of asymptotic expansion. The aim of this work is to find an approximate analytical solution using the classical method of matched asymptotic expansion (MMAE). The Mathematica computer algebra system is used to perform the algebraic computations. The details procedures will be discussed and the underlying concepts and principles of the MMAE will be clarified. Perturbation problem for linear equation that occurs at one boundary and two boundary layers are discussed. Approximate analytical solution obtained for both cases are illustrated by graph using selected parameter by showing the outer, inner and composite solution separately. Then, the composite solution will be compare to the exact solution to show their accuracy by graph. By comparison, MMAE is found to be one of the best methods to solve singular perturbation problems in second order ordinary differential equation since the results obtained are very close to the exact solution.
Nishimura, S.; Sugama, H.; Maassberg, H.; Beidler, C. D.; Murakami, S.; Nakamura, Y.; Hirooka, S.
2010-08-15
The dependence of neoclassical parallel flow calculations on the maximum order of Laguerre polynomial expansions is investigated in a magnetic configuration of the Large Helical Device [S. Murakami, A. Wakasa, H. Maassberg, et al., Nucl. Fusion 42, L19 (2002)] using the monoenergetic coefficient database obtained by an international collaboration. On the basis of a previous generalization (the so-called Sugama-Nishimura method [H. Sugama and S. Nishimura, Phys. Plasmas 15, 042502 (2008)]) to an arbitrary order of the expansion, the 13 M, 21 M, and 29 M approximations are compared. In a previous comparison, only the ion distribution function in the banana collisionality regime of single-ion-species plasmas in tokamak configurations was investigated. In this paper, the dependence of the problems including electrons and impurities in the general collisionality regime in an actual nonsymmetric toroidal configuration is reported. In particular, qualities of approximations for the electron distribution function are investigated in detail.
Naher, Hasibun; Abdullah, Farah Aini; Akbar, M Ali
2013-01-01
The generalized and improved (G'/G)-expansion method is a powerful and advantageous mathematical tool for establishing abundant new traveling wave solutions of nonlinear partial differential equations. In this article, we investigate the higher dimensional nonlinear evolution equation, namely, the (3+1)-dimensional modified KdV-Zakharov-Kuznetsev equation via this powerful method. The solutions are found in hyperbolic, trigonometric and rational function form involving more parameters and some of our constructed solutions are identical with results obtained by other authors if certain parameters take special values and some are new. The numerical results described in the figures were obtained with the aid of commercial software Maple. PMID:23741355
NASA Astrophysics Data System (ADS)
Zayed, Elsayed M. E.; Abdelaziz, Mahmoud A. M.
2010-09-01
In this article, the generalized G'/G-expansion method using a generalized wave transformation is applied to find exact traveling wave solutions of the generalized Zakharov-Kuznetsov equation with variable coefficients. As a result, hyperbolic, trigonometric and rational function solutions with parameters are obtained. When these parameters are taken special values, the solitary wave solutions are derived from the hyperbolic function solution. It is shown that the proposed method is direct, effective and can be applied to many other nonlinear evolution equations in mathematical physics.
Effect of the Heat Pipe Adiabatic Region.
Brahim, Taoufik; Jemni, Abdelmajid
2014-04-01
The main motivation of conducting this work is to present a rigorous analysis and investigation of the potential effect of the heat pipe adiabatic region on the flow and heat transfer performance of a heat pipe under varying evaporator and condenser conditions. A two-dimensional steady-state model for a cylindrical heat pipe coupling, for both regions, is presented, where the flow of the fluid in the porous structure is described by Darcy-Brinkman-Forchheimer model which accounts for the boundary and inertial effects. The model is solved numerically by using the finite volumes method, and a fortran code was developed to solve the system of equations obtained. The results show that a phase change can occur in the adiabatic region due to temperature gradient created in the porous structure as the heat input increases and the heat pipe boundary conditions change. A recirculation zone may be created at the condenser end section. The effect of the heat transfer rate on the vapor radial velocities and the performance of the heat pipe are discussed. PMID:24895467
Adiabatic invariants, diffusion and acceleration in rigid body dynamics
NASA Astrophysics Data System (ADS)
Borisov, Alexey V.; Mamaev, Ivan S.
2016-03-01
The onset of adiabatic chaos in rigid body dynamics is considered. A comparison of the analytically calculated diffusion coefficient describing probabilistic effects in the zone of chaos with a numerical experiment is made. An analysis of the splitting of asymptotic surfaces is performed and uncertainty curves are constructed in the Poincaré-Zhukovsky problem. The application of Hamiltonian methods to nonholonomic systems is discussed. New problem statements are given which are related to the destruction of an adiabatic invariant and to the acceleration of the system (Fermi's acceleration).
Gravitational Chern-Simons and the adiabatic limit
McLellan, Brendan
2010-12-15
We compute the gravitational Chern-Simons term explicitly for an adiabatic family of metrics using standard methods in general relativity. We use the fact that our base three-manifold is a quasiregular K-contact manifold heavily in this computation. Our key observation is that this geometric assumption corresponds exactly to a Kaluza-Klein Ansatz for the metric tensor on our three-manifold, which allows us to translate our problem into the language of general relativity. Similar computations have been performed by Guralnik et al.[Ann. Phys. 308, 222 (2008)], although not in the adiabatic context.
Classical nuclear motion coupled to electronic non-adiabatic transitions
NASA Astrophysics Data System (ADS)
Agostini, Federica; Abedi, Ali; Gross, E. K. U.
2014-12-01
Based on the exact factorization of the electron-nuclear wave function, we have recently proposed a mixed quantum-classical scheme [A. Abedi, F. Agostini, and E. K. U. Gross, Europhys. Lett. 106, 33001 (2014)] to deal with non-adiabatic processes. Here we present a comprehensive description of the formalism, including the full derivation of the equations of motion. Numerical results are presented for a model system for non-adiabatic charge transfer in order to test the performance of the method and to validate the underlying approximations.
Classical nuclear motion coupled to electronic non-adiabatic transitions
Agostini, Federica; Abedi, Ali; Gross, E. K. U.
2014-12-07
Based on the exact factorization of the electron-nuclear wave function, we have recently proposed a mixed quantum-classical scheme [A. Abedi, F. Agostini, and E. K. U. Gross, Europhys. Lett. 106, 33001 (2014)] to deal with non-adiabatic processes. Here we present a comprehensive description of the formalism, including the full derivation of the equations of motion. Numerical results are presented for a model system for non-adiabatic charge transfer in order to test the performance of the method and to validate the underlying approximations.
Adiabatic Mass Loss Model in Binary Stars
NASA Astrophysics Data System (ADS)
Ge, H. W.
2012-07-01
Rapid mass transfer process in the interacting binary systems is very complicated. It relates to two basic problems in the binary star evolution, i.e., the dynamically unstable Roche-lobe overflow and the common envelope evolution. Both of the problems are very important and difficult to be modeled. In this PhD thesis, we focus on the rapid mass loss process of the donor in interacting binary systems. The application to the criterion of dynamically unstable mass transfer and the common envelope evolution are also included. Our results based on the adiabatic mass loss model could be used to improve the binary evolution theory, the binary population synthetic method, and other related aspects. We build up the adiabatic mass loss model. In this model, two approximations are included. The first one is that the energy generation and heat flow through the stellar interior can be neglected, hence the restructuring is adiabatic. The second one is that he stellar interior remains in hydrostatic equilibrium. We model this response by constructing model sequences, beginning with a donor star filling its Roche lobe at an arbitrary point in its evolution, holding its specific entropy and composition profiles fixed. These approximations are validated by the comparison with the time-dependent binary mass transfer calculations and the polytropic model for low mass zero-age main-sequence stars. In the dynamical time scale mass transfer, the adiabatic response of the donor star drives it to expand beyond its Roche lobe, leading to runaway mass transfer and the formation of a common envelope with its companion star. For donor stars with surface convection zones of any significant depth, this runaway condition is encountered early in mass transfer, if at all; but for main sequence stars with radiative envelopes, it may be encountered after a prolonged phase of thermal time scale mass transfer, so-called delayed dynamical instability. We identify the critical binary mass ratio for the
Reduced Basis Methods for the One Over N Expansion of the Anderson Model
NASA Astrophysics Data System (ADS)
Landgraf, Jeffery Michael
1995-01-01
The Anderson model simultaneously explains both the bulk properties and valence photoemission spectrum of Cerium and Ytterbium heavy fermion materials. The observed spectral properties of Uranium heavy fermion compounds, however, are qualitatively different; They show a single bandlike peak near the Fermi energy rather than multiple ionization peaks. The spectral properties of Uranium heavy fermion systems represent an unanswered challenge for the description of heavy fermions using the Anderson model. We investigate this issue using an f^1 - f^2 Anderson model and the zero temperature 1/N expansion. The Kondo temperature is small for all valences which is consistent with heavy fermion behavior even in the mixed valence region. In this region, the calculated photoemission spectrum has a Fermi energy peak which contains substantial spectral weight. Unfortunately, the peak is much more narrow than observed in Uranium systems. Spin-orbit effects may broaden the low energy peak. We include Hunds first rule splitting for the f ^2 state in photoemission calculation. The spectrum then has additional structure at low energies, but the overall weight added is too small to explain observed spectra without considering extra broadening mechanisms, such as additional spin orbit terms. We also make contributions to the formal theory of the 1/N expansion. We present a diagrammatic scheme for classifying the basis elements and their coupling, from which the wave function equations may be directly obtained. Secondly, we develop a formulation of the 1/N expansion based upon zeroing the O(Gamma/N) coupling between basis elements with different numbers of electron-hole pairs. The Hamiltonian is then block diagonal. We obtain a full eigenstate and eigenvalue spectrum which is similar to that of the leading order ground state basis replicated at higher energies. Finally we undertake a systematic study of the 1/N corrections for the f^1 - f^2 model. We directly calculate first order
Adiabatic Wankel type rotary engine
NASA Technical Reports Server (NTRS)
Kamo, R.; Badgley, P.; Doup, D.
1988-01-01
This SBIR Phase program accomplished the objective of advancing the technology of the Wankel type rotary engine for aircraft applications through the use of adiabatic engine technology. Based on the results of this program, technology is in place to provide a rotor and side and intermediate housings with thermal barrier coatings. A detailed cycle analysis of the NASA 1007R Direct Injection Stratified Charge (DISC) rotary engine was performed which concluded that applying thermal barrier coatings to the rotor should be successful and that it was unlikely that the rotor housing could be successfully run with thermal barrier coatings as the thermal stresses were extensive.
Assemblies and methods for mitigating effects of reactor pressure vessel expansion
Challberg, Roy C.; Gou, Perng-Fei; Chu, Cherk Lam; Oliver, Robert P.
1999-01-01
Support assemblies for allowing RPV radial expansion while simultaneously limiting horizontal, vertical, and azimuthal movement of the RPV within a nuclear reactor are described. In one embodiment, the support assembly includes a support block and a guide block. The support block includes a first portion and a second portion, and the first portion is rigidly coupled to the RPV adjacent the first portion. The guide block is rigidly coupled to a reactor pressure vessel support structure and includes a channel sized to receive the second portion of the support block. The second portion of the support block is positioned in the guide block channel to movably couple the guide block to the support block.
Assemblies and methods for mitigating effects of reactor pressure vessel expansion
Challberg, R.C.; Gou, P.F.; Chu, C.L.; Oliver, R.P.
1999-07-27
Support assemblies for allowing RPV radial expansion while simultaneously limiting horizontal, vertical, and azimuthal movement of the RPV within a nuclear reactor are described. In one embodiment, the support assembly includes a support block and a guide block. The support block includes a first portion and a second portion, and the first portion is rigidly coupled to the RPV adjacent the first portion. The guide block is rigidly coupled to a reactor pressure vessel support structure and includes a channel sized to receive the second portion of the support block. The second portion of the support block is positioned in the guide block channel to movably couple the guide block to the support block. 6 figs.
Adiabatic quantum computing with phase modulated laser pulses
Goswami, Debabrata
2005-01-01
Implementation of quantum logical gates for multilevel systems is demonstrated through decoherence control under the quantum adiabatic method using simple phase modulated laser pulses. We make use of selective population inversion and Hamiltonian evolution with time to achieve such goals robustly instead of the standard unitary transformation language. PMID:17195865
An Expansion of the Trait-State-Occasion Model: Accounting for Shared Method Variance
ERIC Educational Resources Information Center
LaGrange, Beth; Cole, David A.
2008-01-01
This article examines 4 approaches for explaining shared method variance, each applied to a longitudinal trait-state-occasion (TSO) model. Many approaches have been developed to account for shared method variance in multitrait-multimethod (MTMM) data. Some of these MTMM approaches (correlated method, orthogonal method, correlated method minus one,…
Expansion dynamics of laser produced plasma
Doggett, B.; Lunney, J. G.
2011-05-01
We consider the applicability of the isentropic, adiabatic gas dynamical model of plume expansion for laser ablation in vacuum. We show that the model can be applied to ionized plumes and estimate the upper electron temperature limit on the applicability of the isentropic approximation. The model predictions are compared with Langmuir ion probe measurements and deposition profiles obtained for excimer laser ablation of silver.
Mode-expansion method for predicting radar signature above rough ocean surfaces at low-grazing angle
NASA Technical Reports Server (NTRS)
Zhang, Y.
2005-01-01
The Mode-Expansion Method (MEM) is introduced to calculate the electromagnetic (EM) waves scattered by 2-D rough water surfaces at low-grazing angles. The Electric Field Integral Equation (EFIE) is used in defining the problem and is simplified by using the Impedance Boundary Condition (IBC). The surface currents are expressed as the sum of modes expanded as the Fourier series with incident wave as the dominant mode. It is shown that, by the MEM and for the geometry with transmitting and receiving waves at low-grazing angles, very few modes are needed in solving the forward scattering field with reasonable accuracy.
Girod, Christophe; Vitalis, Renaud; Leblois, Raphaël; Fréville, Hélène
2011-01-01
Reconstructing the demographic history of populations is a central issue in evolutionary biology. Using likelihood-based methods coupled with Monte Carlo simulations, it is now possible to reconstruct past changes in population size from genetic data. Using simulated data sets under various demographic scenarios, we evaluate the statistical performance of Msvar, a full-likelihood Bayesian method that infers past demographic change from microsatellite data. Our simulation tests show that Msvar is very efficient at detecting population declines and expansions, provided the event is neither too weak nor too recent. We further show that Msvar outperforms two moment-based methods (the M-ratio test and Bottleneck) for detecting population size changes, whatever the time and the severity of the event. The same trend emerges from a compilation of empirical studies. The latest version of Msvar provides estimates of the current and the ancestral population size and the time since the population started changing in size. We show that, in the absence of prior knowledge, Msvar provides little information on the mutation rate, which results in biased estimates and/or wide credibility intervals for each of the demographic parameters. However, scaling the population size parameters with the mutation rate and scaling the time with current population size, as coalescent theory requires, significantly improves the quality of the estimates for contraction but not for expansion scenarios. Finally, our results suggest that Msvar is robust to moderate departures from a strict stepwise mutation model. PMID:21385729
NASA Astrophysics Data System (ADS)
Dyall, Kenneth G.; Enevoldsen, Thomas
1999-12-01
Two approximations to the normalized elimination of the small component are presented which enable the work of a relativistic calculation to be substantially reduced. The first involves fixing the ratio of the large and small components in atomic calculations, which corresponds to a basis set expansion in terms of positive energy atomic 4-spinors. The second involves the definition of a local, i.e., center-dependent, fine structure constant, which has the effect of making atoms with α=0 nonrelativistic. A series of test calculations on a variety of molecules and properties indicates that the errors incurred in the first approximation are negligible. In the second approximation, the errors are dependent on the property, the chemical environment and the atomic number. For the second period elements the errors in the approximation are for chemical purposes negligible. In the third period this is true for many properties, but for some, such as ligand-metal binding energies, there are discrepancies which may be a cause for concern in more accurate calculations. Beyond the third period it is usually necessary to treat atoms relativistically.
Hayami, Masao; Seino, Junji; Nakai, Hiromi
2014-07-30
An algorithm of the accompanying coordinate expansion and recurrence relation (ACE-RR), which is used for the rapid evaluation of the electron repulsion integral (ERI), has been extended to the general-contraction (GC) scheme. The present algorithm, denoted by GC-ACE-RR, is designed for molecular calculations including heavy elements, whose orbitals consist of many primitive functions with and without higher angular momentum such as d- and f-orbitals. The performance of GC-ACE-RR was assessed for (ss|ss)-, (pp|pp)-, (dd|dd)-, and (ff|ff)-type ERIs in terms of contraction length and the number of GC orbitals. The present algorithm was found to reduce the central processing unit time compared with the ACE-RR algorithm, especially for higher angular momentum and highly contracted orbitals. Compared with HONDOPLUS and GAMESS program packages, GC-ACE-RR computations for ERIs of three-dimensional gold clusters Aun (n = 1, 2, …, 10, 15, 20, and 25) are more than 10 times faster. PMID:24889356
Adiabaticity and gravity theory independent conservation laws for cosmological perturbations
NASA Astrophysics Data System (ADS)
Romano, Antonio Enea; Mooij, Sander; Sasaki, Misao
2016-04-01
We carefully study the implications of adiabaticity for the behavior of cosmological perturbations. There are essentially three similar but different definitions of non-adiabaticity: one is appropriate for a thermodynamic fluid δPnad, another is for a general matter field δPc,nad, and the last one is valid only on superhorizon scales. The first two definitions coincide if cs2 = cw2 where cs is the propagation speed of the perturbation, while cw2 = P ˙ / ρ ˙ . Assuming the adiabaticity in the general sense, δPc,nad = 0, we derive a relation between the lapse function in the comoving slicing Ac and δPnad valid for arbitrary matter field in any theory of gravity, by using only momentum conservation. The relation implies that as long as cs ≠cw, the uniform density, comoving and the proper-time slicings coincide approximately for any gravity theory and for any matter field if δPnad = 0 approximately. In the case of general relativity this gives the equivalence between the comoving curvature perturbation Rc and the uniform density curvature perturbation ζ on superhorizon scales, and their conservation. This is realized on superhorizon scales in standard slow-roll inflation. We then consider an example in which cw =cs, where δPnad = δPc,nad = 0 exactly, but the equivalence between Rc and ζ no longer holds. Namely we consider the so-called ultra slow-roll inflation. In this case both Rc and ζ are not conserved. In particular, as for ζ, we find that it is crucial to take into account the next-to-leading order term in ζ's spatial gradient expansion to show its non-conservation, even on superhorizon scales. This is an example of the fact that adiabaticity (in the thermodynamic sense) is not always enough to ensure the conservation of Rc or ζ.
The study on the methods of ellipsoid expansion in high-speed railway in high elevation area
NASA Astrophysics Data System (ADS)
Yang, Zhi; Wen, HongYan; Nie, GuangYu; Gao, Hong
2015-12-01
With the development of high-speed railway in recent years, the previous precision of control surveying and the methods of data processing will not meet the requirement of high-speed railway any longer. In view of the characteristics of precision is much higher in large-scale precise construction and the superiority of precision in reform of large-scale engineering control networks, in this paper, using the algorithm of ellipsoid expansion to deal with overrun coordinate projection distortion in high-speed railway, then compares with common calculation method of surveying, we get a conclusion that this method can get minimum projection and it accord with the requirement of high-precision control surveying.
Geometric Adiabatic Transport in Quantum Hall States
NASA Astrophysics Data System (ADS)
Klevtsov, S.; Wiegmann, P.
2015-08-01
We argue that in addition to the Hall conductance and the nondissipative component of the viscous tensor, there exists a third independent transport coefficient, which is precisely quantized. It takes constant values along quantum Hall plateaus. We show that the new coefficient is the Chern number of a vector bundle over moduli space of surfaces of genus 2 or higher and therefore cannot change continuously along the plateau. As such, it does not transpire on a sphere or a torus. In the linear response theory, this coefficient determines intensive forces exerted on electronic fluid by adiabatic deformations of geometry and represents the effect of the gravitational anomaly. We also present the method of computing the transport coefficients for quantum Hall states.
Geometric Adiabatic Transport in Quantum Hall States.
Klevtsov, S; Wiegmann, P
2015-08-21
We argue that in addition to the Hall conductance and the nondissipative component of the viscous tensor, there exists a third independent transport coefficient, which is precisely quantized. It takes constant values along quantum Hall plateaus. We show that the new coefficient is the Chern number of a vector bundle over moduli space of surfaces of genus 2 or higher and therefore cannot change continuously along the plateau. As such, it does not transpire on a sphere or a torus. In the linear response theory, this coefficient determines intensive forces exerted on electronic fluid by adiabatic deformations of geometry and represents the effect of the gravitational anomaly. We also present the method of computing the transport coefficients for quantum Hall states. PMID:26340197
Yu, Huimin; Zhao, Xiuhua; Zu, Yuangang; Zhang, Xinjuan; Zu, Baishi; Zhang, Xiaonan
2012-01-01
The particle sizes of pharmaceutical substances are important for their bioavailability. Bioavailability can be improved by reducing the particle size of the drug. In this study, artemisinin was micronized by the rapid expansion of supercritical solutions (RESS). The particle size of the unprocessed white needle-like artemisinin particles was 30 to 1200 μm. The optimum micronization conditions are determined as follows: extraction temperature of 62 °C, extraction pressure of 25 MPa, precipitation temperature 45 °C and nozzle diameter of 1000 μm. Under the optimum conditions, micronized artemisinin with a (mean particle size) MPS of 550 nm is obtained. By analysis of variance (ANOVA), extraction temperature and pressure have significant effects on the MPS of the micronized artemisinin. The particle size of micronized artemisinin decreased with increasing extraction temperature and pressure. Moreover, the SEM, LC-MS, FTIR, DSC and XRD allowed the comparison between the crystalline initial state and the micronization particles obtained after the RESS process. The results showed that RESS process has not induced degradation of artemisinin and that processed artemisinin particles have lower crystallinity and melting point. The bulk density of artemisinin was determined before and after RESS process and the obtained results showed that it passes from an initial density of 0.554 to 0.128 g·cm(-3) after the processing. The decrease in bulk density of the micronized powder can increase the liquidity of drug particles when they are applied for medicinal preparations. These results suggest micronized powder of artemisinin can be of great potential in drug delivery systems. PMID:22606030
Rodrigo, J.L.; Carrasco, P.; Alamo, J. )
1989-05-01
Previous disagreement about the thermal expansion of the rhombohedral compound, NZP-type, NaTi/sub 2/(PO/sub 4/)/sub 3/ is clarified. It is shown that thermal stresses affect the thermal expansion, but they relax after some time of storage. Its anisotropic thermal expansion, has been calculate from high temperature X-ray diffraction, and it is linear in the range from room temperature up to 800{sup 0}C. The predictability of thermal expansion and the tailoring of the composition of NZP ceramics require checking whether the thermal effect on the rotations and distortions of the atomic polyhedra in this structure is the responsible for the high anisotropy in the thermal expansion. This effect has been determined experimentally by solving the chemical structure at five different temperatures, applying the Rietveld method to deconvolute the powder X-ray diffraction profiles.
Quantum and classical non-adiabatic dynamics of Li_{2}^{+}Ne photodissociation
NASA Astrophysics Data System (ADS)
Pouilly, Brigitte; Monnerville, Maurice; Zanuttini, David; Gervais, Benoît
2015-01-01
The 3D photodissociation dynamics of Li2+Ne system is investigated by quantum calculations using the multi-configuration time-dependent Hartree (MCTDH) method and by classical simulations with the trajectory surface hopping (TSH) approach. Six electronic states of A’ symmetry and two states of A” symmetry are involved in the process. Couplings in the excitation region and two conical intersections in the vicinity of the Franck-Condon zone control the non-adiabatic nuclear dynamics. A diabatic representation including all the states and the couplings is determined. Diabatic and adiabatic populations calculated for initial excitation to pure diabatic and adiabatic states lead to a clear understanding of the mechanisms governing the non-adiabatic photodissociation process. The classical and quantum photodissociation cross-sections for absorption in two adiabatic states of the A’ symmetry are calculated. A remarkable agreement between quantum and classical results is obtained regarding the populations and the absorption cross-sections.
Shortcut to adiabatic gate teleportation
NASA Astrophysics Data System (ADS)
Santos, Alan C.; Silva, Raphael D.; Sarandy, Marcelo S.
2016-01-01
We introduce a shortcut to the adiabatic gate teleportation model of quantum computation. More specifically, we determine fast local counterdiabatic Hamiltonians able to implement teleportation as a universal computational primitive. In this scenario, we provide the counterdiabatic driving for arbitrary n -qubit gates, which allows to achieve universality through a variety of gate sets. Remarkably, our approach maps the superadiabatic Hamiltonian HSA for an arbitrary n -qubit gate teleportation into the implementation of a rotated superadiabatic dynamics of an n -qubit state teleportation. This result is rather general, with the speed of the evolution only dictated by the quantum speed limit. In particular, we analyze the energetic cost for different Hamiltonian interpolations in the context of the energy-time complementarity.
Vance, W.E.; Chen, X.D.; Scott, S.C.
1996-08-01
This work investigates the effect of the moisture content of coal on its spontaneous ignition in oxygen (40 C--140 C). It has been found that the highest heating rate is achieved at a medium moisture content of {approximately}7 wt% for an initial inherent moisture content of the coal before drying (in dry nitrogen at 65 C) of {approximately}20 wt%. This is particularly noticeable at temperatures below 80 C and tends to support previous studies showing that a maximum oxidation rate occurs at such a moisture content in the same temperature range. Two drying methods have been adopted in the current work and the effects of their operating conditions on the heating rates are described.
Quantum gates with controlled adiabatic evolutions
NASA Astrophysics Data System (ADS)
Hen, Itay
2015-02-01
We introduce a class of quantum adiabatic evolutions that we claim may be interpreted as the equivalents of the unitary gates of the quantum gate model. We argue that these gates form a universal set and may therefore be used as building blocks in the construction of arbitrary "adiabatic circuits," analogously to the manner in which gates are used in the circuit model. One implication of the above construction is that arbitrary classical boolean circuits as well as gate model circuits may be directly translated to adiabatic algorithms with no additional resources or complexities. We show that while these adiabatic algorithms fail to exhibit certain aspects of the inherent fault tolerance of traditional quantum adiabatic algorithms, they may have certain other experimental advantages acting as quantum gates.
On a Nonlinear Model in Adiabatic Evolutions
NASA Astrophysics Data System (ADS)
Sun, Jie; Lu, Song-Feng
2016-08-01
In this paper, we study a kind of nonlinear model of adiabatic evolution in quantum search problem. As will be seen here, for this problem, there always exists a possibility that this nonlinear model can successfully solve the problem, while the linear model can not. Also in the same setting, when the overlap between the initial state and the final stare is sufficiently large, a simple linear adiabatic evolution can achieve O(1) time efficiency, but infinite time complexity for the nonlinear model of adiabatic evolution is needed. This tells us, it is not always a wise choice to use nonlinear interpolations in adiabatic algorithms. Sometimes, simple linear adiabatic evolutions may be sufficient for using. Supported by the National Natural Science Foundation of China under Grant Nos. 61402188 and 61173050. The first author also gratefully acknowledges the support from the China Postdoctoral Science Foundation under Grant No. 2014M552041
NASA Astrophysics Data System (ADS)
Mehdipoor, M.; Neirameh, A.
2012-01-01
The nonlinear propagation of ion acoustic waves in an ideal plasmas containing degenerate electrons is investigated. The Korteweg-de-Vries (K-dV) equation is derived for ion acoustic waves by using reductive perturbation method. The analytical traveling wave solutions of the K-dV equation investigated, through the ( G'/ G)-expansion method. These traveling wave solutions are expressed by hyperbolic function, trigonometric functions are rational functions. When the parameters are taken special values, the solitary waves are derived from the traveling waves. Also, numerically the effect different parameters on these solitary waves investigated and it is seen that exist only the compressive solitary waves in Thomas-Fermi plasmas.
Atom cooling by nonadiabatic expansion
Chen Xi; Muga, J. G.; Campo, A. del; Ruschhaupt, A.
2009-12-15
Motivated by the recent discovery that a reflecting wall moving with a square-root-in-time trajectory behaves as a universal stopper of classical particles regardless of their initial velocities, we compare linear-in-time and square-root-in-time expansions of a box to achieve efficient atom cooling. For the quantum single-atom wave functions studied the square-root-in-time expansion presents important advantages: asymptotically it leads to zero average energy whereas any linear-in-time (constant box-wall velocity) expansion leaves a nonzero residual energy, except in the limit of an infinitely slow expansion. For finite final times and box lengths we set a number of bounds and cooling principles which again confirm the superior performance of the square-root-in-time expansion, even more clearly for increasing excitation of the initial state. Breakdown of adiabaticity is generally fatal for cooling with the linear expansion but not so with the square-root-in-time expansion.
Andronesi, Ovidiu C.; Ramadan, Saadallah; Mountford, Carolyn E.; Sorensen, A. Gregory
2011-01-01
Novel low-power adiabatic sequences are demonstrated for in-vivo localized two-dimensional (2D) correlated MR spectroscopy, such as COSY (Correlated Spectroscopy) and TOCSY (Total Correlated Spectroscopy). The design is based on three new elements for in-vivo 2D MRS: the use of gradient modulated constant adiabaticity GOIA-W(16,4) pulses for i) localization (COSY and TOCSY) and ii) mixing (TOCSY), and iii) the use of longitudinal mixing (z-filter) for magnetization transfer during TOCSY. GOIA-W(16,4) provides accurate signal localization, and more importantly, lowers the SAR for both TOCSY mixing and localization. Longitudinal mixing improves considerably (five-folds) the efficiency of TOCSY transfer. These are markedly different from previous 1D editing TOCSY sequences using spatially non-selective pulses and transverse mixing. Fully adiabatic (adiabatic mixing with adiabatic localization) and semi-adiabatic (adiabatic mixing with non-adiabatic localization) methods for 2D TOCSY are compared. Results are presented for simulations, phantoms, and in-vivo 2D spectra from healthy volunteers and patients with brain tumors obtained on 3T clinical platforms equipped with standard hardware. To the best of our knowledge this is the first demonstration of in-vivo adiabatic 2D TOCSY and fully adiabatic 2D COSY. It is expected that these methodological developments will advance the in-vivo applicability of multi(spectrally)dimensional MRS to reliably identify metabolic biomarkers. PMID:20890988
He, Yue-Jing; Hung, Wei-Chih; Lai, Zhe-Ping
2016-01-01
In this study, a numerical simulation method was employed to investigate and analyze superstructure fiber Bragg gratings (SFBGs) with five duty cycles (50%, 33.33%, 14.28%, 12.5%, and 10%). This study focuses on demonstrating the relevance between design period and spectral characteristics of SFBGs (in the form of graphics) for SFBGs of all duty cycles. Compared with complicated and hard-to-learn conventional coupled-mode theory, the result of the present study may assist beginner and expert designers in understanding the basic application aspects, optical characteristics, and design techniques of SFBGs, thereby indirectly lowering the physical concepts and mathematical skills required for entering the design field. To effectively improve the accuracy of overall computational performance and numerical calculations and to shorten the gap between simulation results and actual production, this study integrated a perfectly matched layer (PML), perfectly reflecting boundary (PRB), object meshing method (OMM), and boundary meshing method (BMM) into the finite element method (FEM) and eigenmode expansion method (EEM). The integrated method enables designers to easily and flexibly design optical fiber communication systems that conform to the specific spectral characteristic by using the simulation data in this paper, which includes bandwidth, number of channels, and band gap size. PMID:26861322
He, Yue-Jing; Hung, Wei-Chih; Lai, Zhe-Ping
2016-01-01
In this study, a numerical simulation method was employed to investigate and analyze superstructure fiber Bragg gratings (SFBGs) with five duty cycles (50%, 33.33%, 14.28%, 12.5%, and 10%). This study focuses on demonstrating the relevance between design period and spectral characteristics of SFBGs (in the form of graphics) for SFBGs of all duty cycles. Compared with complicated and hard-to-learn conventional coupled-mode theory, the result of the present study may assist beginner and expert designers in understanding the basic application aspects, optical characteristics, and design techniques of SFBGs, thereby indirectly lowering the physical concepts and mathematical skills required for entering the design field. To effectively improve the accuracy of overall computational performance and numerical calculations and to shorten the gap between simulation results and actual production, this study integrated a perfectly matched layer (PML), perfectly reflecting boundary (PRB), object meshing method (OMM), and boundary meshing method (BMM) into the finite element method (FEM) and eigenmode expansion method (EEM). The integrated method enables designers to easily and flexibly design optical fiber communication systems that conform to the specific spectral characteristic by using the simulation data in this paper, which includes bandwidth, number of channels, and band gap size. PMID:26861322
A ghost cell expansion method for reducing communications in solving PDE problems
Ding, Chris H.Q.; He, Yun
2001-05-01
In solving Partial Differential Equations, such as the Barotropic equations in ocean models, on Distributed Memory Computers, finite difference methods are commonly used. Most often, processor subdomain boundaries must be updated at each time step. This boundary update process involves many messages of small sizes, therefore large communication overhead. Here we propose a new approach which expands the ghost cell layers and thus updates boundaries much less frequently ---reducing total message volume and grouping small messages into bigger ones. Together with a technique for eliminating diagonal communications, the method speedup communication substantially, up to 170%. We explain the method and implementation in details, provide systematic timing results and performance analysis on Cray T3E and IBM SP.
A modal radar cross section of thin-wire targets via the singularity expansion method
NASA Technical Reports Server (NTRS)
Richards, M. A.; Shumpert, T. H.; Riggs, L. S.
1992-01-01
A modal radar cross section (RCS) of arbitrary wire scatterers is constructed in terms of SEM parameters. Numerical results are presented for both straight and L-shaped wire targets and are compared to computations performed in the frequency domain using the method of moments.
Action First--Understanding Follows: An Expansion of Skills-Based Training Using Action Method.
ERIC Educational Resources Information Center
Martin, Colin
1988-01-01
This paper discusses the concept of training trainers in the skills they need to perform competently as trainers and how they follow their skills mastery with discussion on their new theoretical insight. Moreno's action method (psychodrama, sociodrama, sociometry, and role training) is the model used. (JOW)
FINITE EXPANSION METHOD FOR THE CALCULATION AND INTERPRETATION OF MOLECULAR ELECTROSTATIC POTENTIALS
Because it is useful to have the molecular electrostatic potential as an element in a complex scheme to assess the toxicity of large molecules, efficient and reliable methods are needed for the calculation and characterization of these potentials. A multicenter multipole expansio...
Park, Jeong-Ran; Kim, Eunjeong; Yang, Jungwon; Lee, Hanbyeol; Hong, Seok-Ho; Woo, Heung-Myong; Park, Sung-Min; Na, Sunghun; Yang, Se-Ran
2015-06-01
Recent studies have reported that stem cells can be isolated from a wide range of tissues including bone marrow, fatty tissue, adipose tissue and placenta. Moreover, several studies also suggest that skin dermis could serve as a source of stem cells, but are of unclear phenotype. Therefore, we isolated and investigated to determine the potential of stem cell within human skin dermis. We isolated cells from human dermis, termed here as human dermis-derived mesenchymal stem cells (hDMSCs) which is able to be isolated by using explants culture method. Our method has an advantage over the enzymatic method as it is easier, less expensive and less cell damage. hDMSCs were maintained in basal culture media and proliferation potential was measured. hDMSCs were highly proliferative and successfully expanded with no additional growth factor. In addition, hDMSCs revealed normal karyotype and expressed high levels of CD90, CD73 and CD105 while did not express the surface markers for CD34, CD45 and HLA-DR. Also, we confirmed that hDMSCs possess the capacity to differentiate into multiple lineage including adipocyte, osteocyte, chondrocyte and precursor of hepatocyte lineage. Considering these results, we suggest that hDMSCs might be a valuable source of stem cells and could potentially be a useful source of clinical application. PMID:25163610
NASA Astrophysics Data System (ADS)
Mehdipoor, M.
2012-03-01
Korteweg-de-Vries-Burger (K-dVB) equation is derived for ion acoustic shock waves in electron-positron-ion plasmas. Electrons and positrons are considered superthermal and are effectively modeled by a kappa distribution in which ions are as cold fluid. The analytical traveling wave solutions of the K-dVB equation investigated, through the ( G'/ G)-expansion method. These traveling wave solutions are expressed by hyperbolic function, trigonometric functions are rational functions. When the parameters are taken special values, the shock waves are derived from the traveling waves. It is observed that the amplitude ion acoustic shock waves increase as spectral index κ and kinematic viscosity η i,0 increases in which with increasing positron density β and electron temperature σ the shock amplitude decreases. Also, numerically the effect different parameters on the nonlinearity A and dispersive B terms and wave velocity V investigated.
Tanaka, Isao; Seko, Atsuto; Togo, Atsushi; Koyama, Yukinori; Oba, Fumiyasu
2010-09-29
Properties of crystalline solutions are generally dependent not only on their chemical composition but also on the configurations of solute atoms and/or point defects. Quantitative knowledge of the configuration-dependent properties is therefore essential for materials design. The cluster expansion (CE) method has been widely used to describe the configurational properties. Increases in computational power and advances in numerical techniques enable us to perform a large set of systematic first principles calculations based on density functional theory (DFT) to be combined with CE calculations. In this paper, our procedure of CE with optimal selections of clusters and DFT structures is described. Two examples of such calculations are then shown. One is the cation arrangement in a series of spinel oxides. The other is arrangement of the oxygen vacancy in a series of tin sub-dioxides. PMID:21386541
NASA Astrophysics Data System (ADS)
Tanaka, Isao; Seko, Atsuto; Togo, Atsushi; Koyama, Yukinori; Oba, Fumiyasu
2010-09-01
Properties of crystalline solutions are generally dependent not only on their chemical composition but also on the configurations of solute atoms and/or point defects. Quantitative knowledge of the configuration-dependent properties is therefore essential for materials design. The cluster expansion (CE) method has been widely used to describe the configurational properties. Increases in computational power and advances in numerical techniques enable us to perform a large set of systematic first principles calculations based on density functional theory (DFT) to be combined with CE calculations. In this paper, our procedure of CE with optimal selections of clusters and DFT structures is described. Two examples of such calculations are then shown. One is the cation arrangement in a series of spinel oxides. The other is arrangement of the oxygen vacancy in a series of tin sub-dioxides.
Adiabatic Compression of Oxygen: Real Fluid Temperatures
NASA Technical Reports Server (NTRS)
Barragan, Michelle; Wilson, D. Bruce; Stoltzfus, Joel M.
2000-01-01
The adiabatic compression of oxygen has been identified as an ignition source for systems operating in enriched oxygen atmospheres. Current practice is to evaluate the temperature rise on compression by treating oxygen as an ideal gas with constant heat capacity. This paper establishes the appropriate thermodynamic analysis for the common occurrence of adiabatic compression of oxygen and in the process defines a satisfactory equation of state (EOS) for oxygen. It uses that EOS to model adiabatic compression as isentropic compression and calculates final temperatures for this system using current approaches for comparison.
Adiabatic tapered optical fiber fabrication in two step etching
NASA Astrophysics Data System (ADS)
Chenari, Z.; Latifi, H.; Ghamari, S.; Hashemi, R. S.; Doroodmand, F.
2016-01-01
A two-step etching method using HF acid and Buffered HF is proposed to fabricate adiabatic biconical optical fiber tapers. Due to the fact that the etching rate in second step is almost 3 times slower than the previous droplet etching method, terminating the fabrication process is controllable enough to achieve a desirable fiber diameter. By monitoring transmitted spectrum, final diameter and adiabaticity of tapers are deduced. Tapers with losses about 0.3 dB in air and 4.2 dB in water are produced. The biconical fiber taper fabricated using this method is used to excite whispering gallery modes (WGMs) on a microsphere surface in an aquatic environment. So that they are suitable to be used in applications like WGM biosensors.
Method of Producing Controlled Thermal Expansion Coat for Thermal Barrier Coatings
NASA Technical Reports Server (NTRS)
Brindley, William J. (Inventor); Miller, Robert A. (Inventor); Aikin, Beverly J. M. (Inventor)
2000-01-01
An improved thermal barrier coating and method for producing and applying such is disclosed herein. The thermal barrier coatings includes a high temperature substrate, a first bond coat layer applied to the substrate of MCrAlX and a second bond coat layer of MCrAlX with particles of a particulate dispersed throughout the MCrAlX and the preferred particulate is Al2O3. The particles of the particulate dispersed throughout the second bond coat layer preferably have a diameter of less then the height of the peaks of the second bond coat layer or a diameter of less than 5 micron. The method of producing the second bond coat layer may either include the steps of mechanical alloying of particles throughout the second bond coat layer, attrition milling the particles of the particulate throughout the second bond coat layer, or using electrophoresis to disperse the particles throughout the second bond coat layer. In the preferred embodiment of the invention the first bond coat layer is applied to the substrate. and then the second bond coat layer is thermally sprayed onto the first bond coat layer. Further, in a preferred embodiment of the invention a ceramic insulating layer covers the second bond coat layer.
NASA Astrophysics Data System (ADS)
Savoini, Ph.; Lembège, B.; Krasnoselskikh, V.; Balikhin, M.
Test particles simulations have been performed in order to analyze quantitatively the non adiabatic heating of electrons crossing the shock front of a planar quasi-perpendicular shock. Profiles of E and B fields are issued from selfconsistent 2D full particle simulations. Results evidence the non adiabatic dynamic of a certain percentage of transmitted electrons and allow to validate the theoritical prediction of Balikhin et al. (1998). Present numerical study is extended to the quantitative statistical approach. Test particles simulations have been performed with drifted electrons crossing homogeneous shock profiles. Both cubes and spherical shell electron velocity distributions have been investigated. Relative nonadiabatic and adiabatic electron heating efficiency is discussed versus initial velocities, pitch angle and shock profile encounter by the electrons. Numerical estimates of the Lyapounov coefficient (velocity volume expansion at crossing) are deduced from simulations and will be compared with theoretical expectations.